*HEADER    SERINE PROTEINASE INHIBITOR             18-DEC-03   1UUC
*TITLE     SOLUTION STRUCTURE OF A CHIMARIC LEKTI-DOMAIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SERINE PROTEASE INHIBITOR KAZAL-TYPE 5;
*COMPND   3 SYNONYM: MUTANT OF SERINE PROTEINASE INHIBITOR LEKTI,
*COMPND   4  LYMPHO-EPITHELIAL KAZAL-TYPE RELATED INHIBITOR, LEKTI,
*COMPND   5  CONTAINS HEMOFILTRATE PEPTIDE HF6478, HEMOFILTRATE
*COMPND   6  PEPTIDE HF7665;
*COMPND   7 CHAIN: A;
*COMPND   8 FRAGMENT: CHIMERIC PROTEIN OF LEKTI DOMAIN ONE,
*COMPND   9  RESIDUES 28-77;
*COMPND  10 ENGINEERED: YES;
*COMPND  11 MUTATION: YES;
*COMPND  12 OTHER_DETAILS: DISULFIDE BONDS BETWEEN CYS 8 AND CYS 44,
*COMPND  13 BETWEEN CYS 22 AND CYS 41
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 TISSUE: I.E. VAGINAL EPITHELIUM;
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: ORIGAMI;
*SOURCE   7 EXPRESSION_SYSTEM_VARIANT: DE3;
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: T7-EXPRESSION VECTOR;
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET32A
*KEYWDS    PROTEASE  SERINE PROTEINASE INHIBITOR, CHAMELEON SEQUENCE
*EXPDTA    NMR, 30 STRUCTURES
*AUTHOR    H.TIDOW,T.LAUBER,K.VITZITHUM,P.ROESCH,U.C.MARX
*REVDAT   1   18-DEC-03 1UUC    0




assign (resid  34 and name HN) (resid  33 and name HA)  0.0 0.0 3.5 !  33 HA   (  4.490) ( 0.00 A) (24.25680)
assign (resid  34 and name HN) (resid  34 and name HA1)  0.0 0.0 2.7 !  34 HA1  (  3.987) ( 0.00 A) (44.86320)
assign (resid  34 and name HN) (resid  33 and name HB*)  0.0 0.0 3.5 !  33 HB*  (  2.638) ( 0.00 A) (14.82160)
assign (resid  34 and name HN) (resid  34 and name HA2)  0.0 0.0 2.7 !  34 HA2  (  3.856) ( 0.00 A) (34.62790)
assign (resid  34 and name HN) (resid  33 and name HN)  0.0 0.0 5.0 !  33 HN   (  8.319) ( 0.00 A) (15.45930)
assign (resid  34 and name HN) (resid  35 and name HN)  0.0 0.0 5.0 !  35 HN   (  7.972) ( 0.00 A) (13.14100)
assign (resid  12 and name HE22) (resid  12 and name HE21)  0.0 0.0 2.7 !  12 HE21 (  7.383) ( 0.00 A) (274.44019)
assign (resid  12 and name HE21) (resid  12 and name HE22)  0.0 0.0 2.7 !  12 HE22 (  6.826) ( 0.00 A) (297.86380)
assign (resid  12 and name HE21) (resid  12 and name HG*)  0.0 0.0 3.5 !  12 HG*  (  2.437) ( 0.00 A) (10.81470)
assign (resid  12 and name HE21) (resid  48 and name HD*)  0.0 0.0 5.0 !  48 HD*  (  0.862) ( 0.00 A) ( 5.08390)
assign (resid  12 and name HE22) (resid  12 and name HG*)  0.0 0.0 5.0 !  12 HG*  (  2.437) ( 0.00 A) ( 6.90630)
assign (resid  12 and name HE22) (resid  48 and name HD*)  0.0 0.0 5.0 !  48 HD*  (  0.862) ( 0.00 A) ( 4.93960)
assign (resid  39 and name HD22) (resid  39 and name HB*)  0.0 0.0 3.5 !  39 HB*  (  2.856) ( 0.00 A) (17.10970)
assign (resid  39 and name HD22) (resid  35 and name HD*)  0.0 0.0 5.0 !  35 HD*  (  0.842) ( 0.00 A) ( 8.30190)
assign (resid  30 and name HE21) (resid  30 and name HG*)  0.0 0.0 3.5 !  30 HG*  (  2.321) ( 0.00 A) (13.82410)
assign (resid  39 and name HD21) (resid  39 and name HB*)  0.0 0.0 3.5 !  39 HB*  (  2.856) ( 0.00 A) (27.04050)
assign (resid  39 and name HD21) (resid  35 and name HD*)  0.0 0.0 5.0 !  35 HD*  (  0.842) ( 0.00 A) ( 6.78930)
assign (resid  39 and name HD22) (resid  39 and name HD21)  0.0 0.0 2.7 !  39 HD21 (  7.616) ( 0.00 A) (226.24081)
assign (resid  30 and name HE22) (resid  30 and name HG*)  0.0 0.0 5.0 !  30 HG*  (  2.321) ( 0.00 A) ( 9.45880)
assign (resid  30 and name HE22) (resid  30 and name HE21)  0.0 0.0 2.7 !  30 HE21 (  7.532) ( 0.00 A) (768.15320)
assign (resid  30 and name HE21) (resid  30 and name HE22)  0.0 0.0 2.7 !  30 HE22 (  6.828) ( 0.00 A) (827.52209)
assign (resid  17 and name HD21) (resid  17 and name HD22)  0.0 0.0 2.7 !  17 HD22 (  6.977) ( 0.00 A) (379.70020)
assign (resid  17 and name HD21) (resid  17 and name HB1)  0.0 0.0 5.0 !  17 HB1  (  3.066) ( 0.00 A) ( 5.41180)
assign (resid  17 and name HD22) (resid  17 and name HB2)  0.0 0.0 5.0 !  17 HB2  (  2.820) ( 0.00 A) ( 7.72050)
assign (resid  17 and name HD22) (resid  17 and name HD21)  0.0 0.0 2.7 !  17 HD21 (  7.624) ( 0.00 A) (550.32520)
assign (resid   2 and name HD21) (resid   2 and name HB2)  0.0 0.0 3.5 !   2 HB2  (  2.792) ( 0.00 A) (10.84610)
assign (resid   2 and name HD21) (resid   2 and name HD22)  0.0 0.0 2.7 !   2 HD22 (  6.965) ( 0.00 A) (405.31281)
assign (resid  46 and name HN) (resid  43 and name HG*)  0.0 0.0 5.0 !  43 HG*  (  1.183) ( 0.00 A) ( 6.65890)
assign (resid  46 and name HN) (resid  45 and name HN)  0.0 0.0 3.5 !  45 HN   (  8.371) ( 0.00 A) (13.97650)
assign (resid  46 and name HN) (resid  45 and name HA)  0.0 0.0 5.0 !  45 HA   (  3.743) ( 0.00 A) ( 8.26720)
assign (resid  46 and name HN) (resid  45 and name HB*)  0.0 0.0 3.5 !  45 HB*  (  1.903) ( 0.00 A) (22.18330)
assign (resid  46 and name HN) (resid  47 and name HN)  0.0 0.0 5.0 !  47 HN   (  7.408) ( 0.00 A) (258.06421)
assign (resid  46 and name HN) (resid  46 and name HB*)  0.0 0.0 2.7 !  46 HB*  (  2.173) ( 0.00 A) (50.01010)
assign (resid  46 and name HN) (resid  46 and name HA)  0.0 0.0 3.5 !  46 HA   (  4.189) ( 0.00 A) (23.60370)
assign (resid  46 and name HN) (resid  45 and name HD*)  0.0 0.0 5.0 !  45 HD*  (  1.715) ( 0.00 A) (12.57700)
assign (resid  46 and name HN) (resid  46 and name HG*)  0.0 0.0 3.5 !  46 HG*  (  2.677) ( 0.00 A) (10.41010)
assign (resid  43 and name HN) (resid  42 and name HN)  0.0 0.0 5.0 !  42 HN   (  7.787) ( 0.00 A) (326.01471)
assign (resid  43 and name HN) (resid  44 and name HB*)  0.0 0.0 5.0 !  44 HB*  (  2.683) ( 0.00 A) ( 5.27140)
assign (resid  43 and name HN) (resid  43 and name HB)  0.0 0.0 2.7 !  43 HB   (  4.205) ( 0.00 A) (37.26820)
assign (resid  43 and name HN) (resid  42 and name HB*)  0.0 0.0 3.5 !  42 HB*  (  1.409) ( 0.00 A) (25.25160)
assign (resid  43 and name HN) (resid  40 and name HA)  0.0 0.0 3.5 !  40 HA   (  3.951) ( 0.00 A) (29.16860)
assign (resid  43 and name HN) (resid  43 and name HA)  0.0 0.0 3.5 !  43 HA   (  3.946) ( 0.00 A) (29.16860)
assign (resid  43 and name HN) (resid  44 and name HN)  0.0 0.0 3.5 !  44 HN   (  8.114) ( 0.00 A) (21.84570)
assign (resid  43 and name HN) (resid  45 and name HN)  0.0 0.0 5.0 !  45 HN   (  8.371) ( 0.00 A) ( 4.53810)
assign (resid  43 and name HN) (resid  43 and name HG*)  0.0 0.0 3.5 !  43 HG*  (  1.183) ( 0.00 A) (13.68890)
assign (resid  14 and name HN) (resid  14 and name HB2)  0.0 0.0 3.5 !  14 HB2  (  2.979) ( 0.00 A) (28.36240)
assign (resid  14 and name HN) (resid  14 and name HB1)  0.0 0.0 3.5 !  14 HB1  (  3.877) ( 0.00 A) (19.27120)
assign (resid  14 and name HN) (resid  14 and name HD*)  0.0 0.0 2.7 !  14 HD*  (  7.403) ( 0.00 A) (39.88430)
assign (resid  14 and name HN) (resid  13 and name HN)  0.0 0.0 5.0 !  13 HN   (  7.943) ( 0.00 A) (17.46920)
assign (resid  14 and name HN) (resid  13 and name HB*)  0.0 0.0 5.0 !  13 HB*  (  1.004) ( 0.00 A) (16.72490)
assign (resid  14 and name HN) (resid  13 and name HA)  0.0 0.0 5.0 !  13 HA   (  4.068) ( 0.00 A) ( 9.06190)
assign (resid  11 and name HN) (resid  11 and name HA)  0.0 0.0 3.5 !  11 HA   (  4.700) ( 0.00 A) (21.17860)
assign (resid  14 and name HN) (resid  14 and name HA)  0.0 0.0 3.5 !  14 HA   (  4.740) ( 0.00 A) (21.17860)
assign (resid  14 and name HN) (resid  12 and name HB*)  0.0 0.0 5.0 !  12 HB*  (  2.074) ( 0.00 A) ( 7.52650)
assign (resid  11 and name HN) (resid  11 and name HB1)  0.0 0.0 3.5 !  11 HB1  (  3.589) ( 0.00 A) (13.69850)
assign (resid  11 and name HN) (resid  40 and name HB*)  0.0 0.0 5.0 !  40 HB*  (  1.778) ( 0.00 A) ( 4.57830)
assign (resid  11 and name HN) (resid  11 and name HB2)  0.0 0.0 3.5 !  11 HB2  (  2.738) ( 0.00 A) (24.74250)
assign (resid  11 and name HN) (resid  11 and name HE*)  0.0 0.0 3.5 !  11 HE*  (  7.209) ( 0.00 A) (15.28070)
assign (resid  31 and name HN) (resid  30 and name HB2)  0.0 0.0 5.0 !  30 HB2  (  1.954) ( 0.00 A) ( 7.40710)
assign (resid  31 and name HN) (resid  31 and name HB1)  0.0 0.0 3.5 !  31 HB1  (  4.008) ( 0.00 A) (12.12000)
assign (resid  31 and name HN) (resid  29 and name HD*)  0.0 0.0 5.0 !  29 HD*  (  0.886) ( 0.00 A) ( 9.76240)
assign (resid  31 and name HN) (resid  30 and name HG*)  0.0 0.0 5.0 !  30 HG*  (  2.321) ( 0.00 A) ( 4.76850)
assign (resid  31 and name HN) (resid  30 and name HA)  0.0 0.0 2.7 !  30 HA   (  4.397) ( 0.00 A) (47.23820)
assign (resid  31 and name HN) (resid  31 and name HB2)  0.0 0.0 3.5 !  31 HB2  (  3.850) ( 0.00 A) (17.01570)
assign (resid  31 and name HN) (resid  30 and name HB1)  0.0 0.0 5.0 !  30 HB1  (  2.091) ( 0.00 A) ( 8.85430)
assign (resid  49 and name HN) (resid  49 and name HG1)  0.0 0.0 3.5 !  49 HG1  (  2.655) ( 0.00 A) (28.01800)
assign (resid  49 and name HN) (resid  50 and name HN)  0.0 0.0 3.5 !  50 HN   (  7.539) ( 0.00 A) (24.06900)
assign (resid  49 and name HN) (resid  48 and name HN)  0.0 0.0 3.5 !  48 HN   (  8.658) ( 0.00 A) (23.76760)
assign (resid  49 and name HN) (resid  49 and name HA)  0.0 0.0 3.5 !  49 HA   (  4.072) ( 0.00 A) (23.55090)
assign (resid  49 and name HN) (resid  49 and name HG2)  0.0 0.0 3.5 !  49 HG2  (  2.471) ( 0.00 A) (11.68020)
assign (resid  49 and name HN) (resid  48 and name HG)  0.0 0.0 5.0 !  48 HG   (  1.637) ( 0.00 A) (10.95740)
assign (resid  49 and name HN) (resid  47 and name HA)  0.0 0.0 5.0 !  47 HA   (  3.746) ( 0.00 A) ( 7.29310)
assign (resid  49 and name HN) (resid  49 and name HB*)  0.0 0.0 2.7 !  49 HB*  (  2.087) ( 0.00 A) (37.26220)
assign (resid  49 and name HN) (resid  48 and name HB*)  0.0 0.0 5.0 !  48 HB*  (  1.790) ( 0.00 A) (17.68220)
assign (resid  49 and name HN) (resid  48 and name HD*)  0.0 0.0 5.0 !  48 HD*  (  0.862) ( 0.00 A) ( 7.45150)
assign (resid  54 and name HN) (resid  54 and name HB*)  0.0 0.0 3.5 !  54 HB*  (  3.885) ( 0.00 A) (18.84140)
assign (resid  54 and name HN) (resid  53 and name HN)  0.0 0.0 3.5 !  53 HN   (  7.940) ( 0.00 A) (15.20430)
assign (resid  54 and name HN) (resid  53 and name HB*)  0.0 0.0 5.0 !  53 HB*  (  1.826) ( 0.00 A) ( 6.70600)
assign (resid  33 and name HN) (resid  31 and name HB1)  0.0 0.0 5.0 !  31 HB1  (  4.008) ( 0.00 A) ( 9.64340)
assign (resid  33 and name HN) (resid  32 and name HA)  0.0 0.0 3.5 !  32 HA   (  4.252) ( 0.00 A) (22.17510)
assign (resid  33 and name HN) (resid  33 and name HA)  0.0 0.0 3.5 !  33 HA   (  4.490) ( 0.00 A) (29.72360)
assign (resid  33 and name HN) (resid  33 and name HB*)  0.0 0.0 2.7 !  33 HB*  (  2.638) ( 0.00 A) (33.83110)
assign (resid  33 and name HN) (resid  32 and name HG)  0.0 0.0 5.0 !  32 HG   (  1.661) ( 0.00 A) (18.30210)
assign (resid  33 and name HN) (resid  32 and name HD2*)  0.0 0.0 5.0 !  32 HD2* (  0.881) ( 0.00 A) ( 5.73140)
assign (resid  33 and name HN) (resid  31 and name HB2)  0.0 0.0 5.0 !  31 HB2  (  3.850) ( 0.00 A) ( 6.07550)
assign (resid  33 and name HN) (resid  32 and name HN)  0.0 0.0 5.0 !  32 HN   (  8.570) ( 0.00 A) ( 8.86980)
assign (resid  48 and name HN) (resid  45 and name HA)  0.0 0.0 3.5 !  45 HA   (  3.743) ( 0.00 A) (10.07850)
assign (resid  48 and name HN) (resid  47 and name HA)  0.0 0.0 5.0 !  47 HA   (  3.746) ( 0.00 A) (10.07850)
assign (resid  48 and name HN) (resid  49 and name HG1)  0.0 0.0 5.0 !  49 HG1  (  2.655) ( 0.00 A) ( 6.78440)
assign (resid  48 and name HN) (resid  44 and name HA)  0.0 0.0 5.0 !  44 HA   (  4.497) ( 0.00 A) ( 5.77870)
assign (resid  48 and name HN) (resid  47 and name HB)  0.0 0.0 5.0 !  47 HB   (  1.935) ( 0.00 A) (19.19290)
assign (resid  48 and name HN) (resid  48 and name HA)  0.0 0.0 3.5 !  48 HA   (  4.124) ( 0.00 A) (17.11640)
assign (resid  48 and name HN) (resid  49 and name HN)  0.0 0.0 3.5 !  49 HN   (  8.063) ( 0.00 A) (18.63890)
assign (resid  48 and name HN) (resid  47 and name HN)  0.0 0.0 3.5 !  47 HN   (  7.408) ( 0.00 A) (19.86350)
assign (resid  48 and name HN) (resid  48 and name HB*)  0.0 0.0 2.7 !  48 HB*  (  1.790) ( 0.00 A) (46.08190)
assign (resid  47 and name HN) (resid  44 and name HA)  0.0 0.0 5.0 !  44 HA   (  4.497) ( 0.00 A) ( 9.96460)
assign (resid  48 and name HN) (resid  48 and name HD*)  0.0 0.0 3.5 !  48 HD*  (  0.862) ( 0.00 A) (23.32750)
assign (resid  47 and name HN) (resid  46 and name HB*)  0.0 0.0 3.5 !  46 HB*  (  2.173) ( 0.00 A) (18.44790)
assign (resid  47 and name HN) (resid  47 and name HG11)  0.0 0.0 3.5 !  47 HG11 (  1.680) ( 0.00 A) (25.75340)
assign (resid  48 and name HN) (resid  48 and name HG)  0.0 0.0 3.5 !  48 HG   (  1.637) ( 0.00 A) (16.30750)
assign (resid  47 and name HN) (resid  47 and name HG2*)  0.0 0.0 3.5 !  47 HG2* (  0.846) ( 0.00 A) (18.61950)
assign (resid  47 and name HN) (resid  47 and name HB)  0.0 0.0 2.7 !  47 HB   (  1.935) ( 0.00 A) (34.39140)
assign (resid  47 and name HN) (resid  46 and name HN)  0.0 0.0 5.0 !  46 HN   (  7.400) ( 0.00 A) (192.80380)
assign (resid  47 and name HN) (resid  46 and name HA)  0.0 0.0 5.0 !  46 HA   (  4.189) ( 0.00 A) ( 6.93700)
assign (resid  47 and name HN) (resid  47 and name HA)  0.0 0.0 3.5 !  47 HA   (  3.746) ( 0.00 A) (18.61470)
assign (resid  47 and name HN) (resid  47 and name HG12)  0.0 0.0 3.5 !  47 HG12 (  1.179) ( 0.00 A) (13.75990)
assign (resid  47 and name HN) (resid  48 and name HN)  0.0 0.0 3.5 !  48 HN   (  8.658) ( 0.00 A) (20.06400)
assign (resid  13 and name HN) (resid  12 and name HA)  0.0 0.0 5.0 !  12 HA   (  3.831) ( 0.00 A) ( 6.07690)
assign (resid  13 and name HN) (resid  13 and name HA)  0.0 0.0 3.5 !  13 HA   (  4.068) ( 0.00 A) (19.50930)
assign (resid  13 and name HN) (resid  13 and name HB*)  0.0 0.0 2.7 !  13 HB*  (  1.004) ( 0.00 A) (54.84330)
assign (resid  13 and name HN) (resid  11 and name HN)  0.0 0.0 5.0 !  11 HN   (  7.620) ( 0.00 A) (17.28020)
assign (resid  13 and name HN) (resid  12 and name HN)  0.0 0.0 3.5 !  12 HN   (  7.572) ( 0.00 A) (17.28020)
assign (resid  13 and name HN) (resid  12 and name HB*)  0.0 0.0 3.5 !  12 HB*  (  2.074) ( 0.00 A) (20.10500)
assign (resid  44 and name HN) (resid  43 and name HB)  0.0 0.0 3.5 !  43 HB   (  4.205) ( 0.00 A) (25.10480)
assign (resid  44 and name HN) (resid  43 and name HA)  0.0 0.0 5.0 !  43 HA   (  3.946) ( 0.00 A) ( 9.78740)
assign (resid  44 and name HN) (resid  44 and name HA)  0.0 0.0 3.5 !  44 HA   (  4.497) ( 0.00 A) (16.52170)
assign (resid  44 and name HN) (resid  42 and name HN)  0.0 0.0 5.0 !  42 HN   (  7.787) ( 0.00 A) (25.26930)
assign (resid  44 and name HN) (resid  43 and name HN)  0.0 0.0 3.5 !  43 HN   (  7.796) ( 0.00 A) (25.26930)
assign (resid  44 and name HN) (resid  44 and name HB*)  0.0 0.0 2.7 !  44 HB*  (  2.683) ( 0.00 A) (42.56720)
assign (resid  44 and name HN) (resid  45 and name HN)  0.0 0.0 3.5 !  45 HN   (  8.371) ( 0.00 A) (16.89090)
assign (resid  44 and name HN) (resid  43 and name HG*)  0.0 0.0 5.0 !  43 HG*  (  1.183) ( 0.00 A) ( 9.16690)
assign (resid   5 and name HN) (resid  47 and name HG2*)  0.0 0.0 5.0 !  47 HG2* (  0.846) ( 0.00 A) ( 4.35540)
assign (resid  53 and name HN) (resid  51 and name HN)  0.0 0.0 5.0 !  51 HN   (  7.962) ( 0.00 A) (775.76318)
assign (resid   5 and name HN) (resid   4 and name HB*)  0.0 0.0 5.0 !   4 HB*  (  2.654) ( 0.00 A) (26.77460)
assign (resid   5 and name HN) (resid   4 and name HA)  0.0 0.0 3.5 !   4 HA   (  4.450) ( 0.00 A) (33.33420)
assign (resid   5 and name HN) (resid   5 and name HA)  0.0 0.0 3.5 !   5 HA   (  4.063) ( 0.00 A) (26.76850)
assign (resid   5 and name HN) (resid   5 and name HG*)  0.0 0.0 3.5 !   5 HG*  (  2.322) ( 0.00 A) (24.81890)
assign (resid  53 and name HN) (resid  53 and name HG*)  0.0 0.0 3.5 !  53 HG*  (  1.438) ( 0.00 A) (22.58710)
assign (resid  53 and name HN) (resid  53 and name HB*)  0.0 0.0 3.5 !  53 HB*  (  1.826) ( 0.00 A) (25.38540)
assign (resid  53 and name HN) (resid  52 and name HA)  0.0 0.0 3.5 !  52 HA   (  4.271) ( 0.00 A) (32.79350)
assign (resid   5 and name HN) (resid   5 and name HB*)  0.0 0.0 2.7 !   5 HB*  (  2.011) ( 0.00 A) (42.56060)
assign (resid  19 and name HN) (resid  19 and name HA)  0.0 0.0 3.5 !  19 HA   (  4.659) ( 0.00 A) (18.71310)
assign (resid  19 and name HN) (resid  18 and name HN)  0.0 0.0 3.5 !  18 HN   (  8.746) ( 0.00 A) (23.62220)
assign (resid  19 and name HN) (resid  19 and name HB1)  0.0 0.0 2.7 !  19 HB1  (  1.726) ( 0.00 A) (39.26360)
assign (resid  19 and name HN) (resid  19 and name HB2)  0.0 0.0 3.5 !  19 HB2  (  1.361) ( 0.00 A) (25.07810)
assign (resid  19 and name HN) (resid  19 and name HG*)  0.0 0.0 3.5 !  19 HG*  (  1.164) ( 0.00 A) (11.75610)
assign (resid  19 and name HN) (resid  15 and name HA)  0.0 0.0 5.0 !  15 HA   (  5.033) ( 0.00 A) ( 5.16870)
assign (resid  19 and name HN) (resid  18 and name HA1)  0.0 0.0 3.5 !  18 HA1  (  4.093) ( 0.00 A) (12.27100)
assign (resid  19 and name HN) (resid  16 and name HN)  0.0 0.0 3.5 !  16 HN   (  9.370) ( 0.00 A) (17.65730)
assign (resid  19 and name HN) (resid  18 and name HA2)  0.0 0.0 3.5 !  18 HA2  (  3.498) ( 0.00 A) (12.47070)
assign (resid  53 and name HN) (resid  54 and name HN)  0.0 0.0 5.0 !  54 HN   (  8.207) ( 0.00 A) ( 8.66910)
assign (resid  19 and name HN) (resid  20 and name HN)  0.0 0.0 5.0 !  20 HN   (  9.512) ( 0.00 A) ( 7.48260)
assign (resid   5 and name HN) (resid   4 and name HN)  0.0 0.0 3.5 !   4 HN   (  8.341) ( 0.00 A) (12.89720)
assign (resid  50 and name HN) (resid  50 and name HB*)  0.0 0.0 2.7 !  50 HB*  (  1.924) ( 0.00 A) (68.34380)
assign (resid  50 and name HN) (resid  50 and name HA)  0.0 0.0 2.7 !  50 HA   (  4.181) ( 0.00 A) (38.03620)
assign (resid  51 and name HN) (resid  48 and name HD*)  0.0 0.0 5.0 !  48 HD*  (  0.862) ( 0.00 A) ( 5.38430)
assign (resid  50 and name HN) (resid  50 and name HG*)  0.0 0.0 3.5 !  50 HG*  (  1.479) ( 0.00 A) (10.97390)
assign (resid  51 and name HN) (resid  51 and name HA)  0.0 0.0 2.7 !  51 HA   (  4.180) ( 0.00 A) (61.23190)
assign (resid  41 and name HN) (resid  39 and name HA)  0.0 0.0 5.0 !  39 HA   (  4.540) ( 0.00 A) (16.12400)
assign (resid  41 and name HN) (resid  41 and name HA)  0.0 0.0 3.5 !  41 HA   (  4.523) ( 0.00 A) (16.12400)
assign (resid  41 and name HN) (resid  41 and name HB1)  0.0 0.0 2.7 !  41 HB1  (  2.894) ( 0.00 A) (30.79990)
assign (resid  51 and name HN) (resid  50 and name HN)  0.0 0.0 3.5 !  50 HN   (  7.539) ( 0.00 A) (25.12640)
assign (resid  41 and name HN) (resid  42 and name HN)  0.0 0.0 3.5 !  42 HN   (  7.787) ( 0.00 A) (17.74500)
assign (resid  41 and name HN) (resid  43 and name HN)  0.0 0.0 5.0 !  43 HN   (  7.796) ( 0.00 A) (17.74500)
assign (resid  50 and name HN) (resid  51 and name HN)  0.0 0.0 3.5 !  51 HN   (  7.962) ( 0.00 A) (26.15790)
assign (resid  50 and name HN) (resid  50 and name HD*)  0.0 0.0 5.0 !  50 HD*  (  1.684) ( 0.00 A) ( 4.32070)
assign (resid  41 and name HN) (resid  41 and name HB2)  0.0 0.0 2.7 !  41 HB2  (  2.470) ( 0.00 A) (41.11290)
assign (resid  41 and name HN) (resid  40 and name HA)  0.0 0.0 3.5 !  40 HA   (  3.951) ( 0.00 A) (10.36130)
assign (resid   8 and name HN) (resid   7 and name HA)  0.0 0.0 3.5 !   7 HA   (  4.212) ( 0.00 A) (20.63540)
assign (resid  41 and name HN) (resid  38 and name HA)  0.0 0.0 5.0 !  38 HA   (  3.824) ( 0.00 A) ( 6.06080)
assign (resid  41 and name HN) (resid  11 and name HD*)  0.0 0.0 5.0 !  11 HD*  (  6.976) ( 0.00 A) ( 8.80050)
assign (resid  50 and name HN) (resid  49 and name HG1)  0.0 0.0 5.0 !  49 HG1  (  2.655) ( 0.00 A) ( 5.63820)
assign (resid  51 and name HN) (resid  51 and name HG*)  0.0 0.0 3.5 !  51 HG*  (  2.405) ( 0.00 A) (14.96870)
assign (resid  51 and name HN) (resid  51 and name HB2)  0.0 0.0 2.7 !  51 HB2  (  1.999) ( 0.00 A) (42.79610)
assign (resid  41 and name HN) (resid  40 and name HN)  0.0 0.0 5.0 !  40 HN   (  8.434) ( 0.00 A) ( 8.20700)
assign (resid  42 and name HN) (resid  43 and name HN)  0.0 0.0 3.5 !  43 HN   (  7.796) ( 0.00 A) (299.11679)
assign (resid  42 and name HN) (resid  42 and name HA)  0.0 0.0 3.5 !  42 HA   (  3.826) ( 0.00 A) (26.86290)
assign (resid  42 and name HN) (resid  41 and name HN)  0.0 0.0 3.5 !  41 HN   (  8.201) ( 0.00 A) (15.25230)
assign (resid  42 and name HN) (resid  42 and name HB*)  0.0 0.0 2.7 !  42 HB*  (  1.409) ( 0.00 A) (57.55040)
assign (resid  42 and name HN) (resid  41 and name HB1)  0.0 0.0 5.0 !  41 HB1  (  2.894) ( 0.00 A) (24.49220)
assign (resid  42 and name HN) (resid  39 and name HA)  0.0 0.0 5.0 !  39 HA   (  4.540) ( 0.00 A) ( 6.33320)
assign (resid  42 and name HN) (resid  41 and name HB2)  0.0 0.0 3.5 !  41 HB2  (  2.470) ( 0.00 A) (14.65230)
assign (resid   4 and name HN) (resid   4 and name HA)  0.0 0.0 3.5 !   4 HA   (  4.450) ( 0.00 A) (28.53470)
assign (resid  24 and name HN) (resid  24 and name HA)  0.0 0.0 3.5 !  24 HA   (  4.450) ( 0.00 A) (28.53470)
assign (resid   9 and name HN) (resid   9 and name HA)  0.0 0.0 3.5 !   9 HA   (  4.560) ( 0.00 A) (10.20980)
assign (resid  12 and name HN) (resid  12 and name HA)  0.0 0.0 3.5 !  12 HA   (  3.831) ( 0.00 A) (26.00170)
assign (resid  12 and name HN) (resid  13 and name HN)  0.0 0.0 3.5 !  13 HN   (  7.943) ( 0.00 A) (19.19990)
assign (resid  12 and name HN) (resid  12 and name HB*)  0.0 0.0 2.7 !  12 HB*  (  2.074) ( 0.00 A) (60.52530)
assign (resid  29 and name HN) (resid  29 and name HA)  0.0 0.0 3.5 !  29 HA   (  4.140) ( 0.00 A) (12.73710)
assign (resid  12 and name HN) (resid  12 and name HG*)  0.0 0.0 3.5 !  12 HG*  (  2.437) ( 0.00 A) (19.92170)
assign (resid  29 and name HN) (resid  28 and name HA)  0.0 0.0 2.7 !  28 HA   (  4.391) ( 0.00 A) (56.38500)
assign (resid  29 and name HN) (resid  29 and name HD*)  0.0 0.0 3.5 !  29 HD*  (  0.886) ( 0.00 A) (15.49710)
assign (resid  12 and name HN) (resid  11 and name HA)  0.0 0.0 5.0 !  11 HA   (  4.700) ( 0.00 A) ( 8.83360)
assign (resid  29 and name HN) (resid  29 and name HG1*)  0.0 0.0 5.0 !  29 HG1* (  1.461) ( 0.00 A) ( 9.66580)
assign (resid  29 and name HN) (resid  29 and name HG2*)  0.0 0.0 3.5 !  29 HG2* (  1.169) ( 0.00 A) (13.25090)
assign (resid  29 and name HN) (resid  29 and name HB)  0.0 0.0 2.7 !  29 HB   (  1.833) ( 0.00 A) (30.59940)
assign (resid  12 and name HN) (resid  11 and name HB2)  0.0 0.0 5.0 !  11 HB2  (  2.738) ( 0.00 A) ( 6.16550)
assign (resid   4 and name HN) (resid   4 and name HB*)  0.0 0.0 2.7 !   4 HB*  (  2.654) ( 0.00 A) (64.43130)
assign (resid  12 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0 !  20 HD1* (  0.924) ( 0.00 A) ( 5.91160)
assign (resid   9 and name HN) (resid   8 and name HA)  0.0 0.0 5.0 !   8 HA   (  4.148) ( 0.00 A) (19.06050)
assign (resid   4 and name HN) (resid   3 and name HN)  0.0 0.0 3.5 !   3 HN   (  8.928) ( 0.00 A) (17.64010)
assign (resid  29 and name HN) (resid  28 and name HB*)  0.0 0.0 5.0 !  28 HB*  (  2.240) ( 0.00 A) ( 6.77550)
assign (resid   9 and name HN) (resid   8 and name HN)  0.0 0.0 3.5 !   8 HN   (  8.080) ( 0.00 A) (580.63940)
assign (resid  29 and name HN) (resid  30 and name HN)  0.0 0.0 5.0 !  30 HN   (  8.431) ( 0.00 A) ( 6.05350)
assign (resid   4 and name HN) (resid   3 and name HA)  0.0 0.0 5.0 !   3 HA   (  4.190) ( 0.00 A) (49.90400)
assign (resid  24 and name HN) (resid  24 and name HG1)  0.0 0.0 2.7 !  24 HG1  (  2.189) ( 0.00 A) (60.06530)
assign (resid   9 and name HN) (resid   9 and name HB2)  0.0 0.0 5.0 !   9 HB2  (  3.026) ( 0.00 A) ( 9.61700)
assign (resid   7 and name HN) (resid   6 and name HB*)  0.0 0.0 5.0 !   6 HB*  (  2.037) ( 0.00 A) (38.37600)
assign (resid  24 and name HN) (resid  24 and name HG2)  0.0 0.0 2.7 !  24 HG2  (  2.070) ( 0.00 A) (38.37600)
assign (resid  15 and name HN) (resid  15 and name HA)  0.0 0.0 3.5 !  15 HA   (  5.033) ( 0.00 A) (15.38690)
assign (resid  15 and name HN) (resid  13 and name HA)  0.0 0.0 5.0 !  13 HA   (  4.068) ( 0.00 A) ( 5.23250)
assign (resid  15 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0 !  20 HD1* (  0.924) ( 0.00 A) ( 7.23080)
assign (resid  15 and name HN) (resid  15 and name HG1)  0.0 0.0 3.5 !  15 HG1  (  2.661) ( 0.00 A) (12.08920)
assign (resid  15 and name HN) (resid  15 and name HG2)  0.0 0.0 3.5 !  15 HG2  (  2.338) ( 0.00 A) (15.78840)
assign (resid  15 and name HN) (resid  14 and name HN)  0.0 0.0 2.7 !  14 HN   (  7.654) ( 0.00 A) (32.61880)
assign (resid  15 and name HN) (resid  15 and name HB*)  0.0 0.0 2.7 !  15 HB*  (  2.085) ( 0.00 A) (39.18860)
assign (resid   6 and name HN) (resid   6 and name HB*)  0.0 0.0 2.7 !   6 HB*  (  2.037) ( 0.00 A) (78.34250)
assign (resid  15 and name HN) (resid  14 and name HA)  0.0 0.0 5.0 !  14 HA   (  4.740) ( 0.00 A) ( 8.14600)
assign (resid   6 and name HN) (resid   6 and name HG*)  0.0 0.0 3.5 !   6 HG*  (  2.294) ( 0.00 A) (23.32210)
assign (resid   6 and name HN) (resid   6 and name HA)  0.0 0.0 2.7 !   6 HA   (  4.090) ( 0.00 A) (48.28190)
assign (resid  15 and name HN) (resid  14 and name HB2)  0.0 0.0 5.0 !  14 HB2  (  2.979) ( 0.00 A) ( 5.86710)
assign (resid   6 and name HN) (resid   4 and name HB*)  0.0 0.0 5.0 !   4 HB*  (  2.654) ( 0.00 A) ( 8.47040)
assign (resid  15 and name HN) (resid  12 and name HA)  0.0 0.0 5.0 !  12 HA   (  3.831) ( 0.00 A) ( 8.06140)
assign (resid  38 and name HN) (resid  38 and name HG12)  0.0 0.0 3.5 !  38 HG12 (  1.267) ( 0.00 A) (13.09080)
assign (resid  38 and name HN) (resid  38 and name HG11)  0.0 0.0 3.5 !  38 HG11 (  1.583) ( 0.00 A) (18.66820)
assign (resid  38 and name HN) (resid  37 and name HB*)  0.0 0.0 3.5 !  37 HB*  (  3.162) ( 0.00 A) (24.24960)
assign (resid  38 and name HN) (resid  38 and name HB)  0.0 0.0 2.7 !  38 HB   (  1.897) ( 0.00 A) (35.04700)
assign (resid  38 and name HN) (resid  37 and name HA)  0.0 0.0 3.5 !  37 HA   (  4.496) ( 0.00 A) (30.98170)
assign (resid  38 and name HN) (resid  38 and name HG2*)  0.0 0.0 3.5 !  38 HG2* (  0.878) ( 0.00 A) (18.04600)
assign (resid  38 and name HN) (resid  38 and name HA)  0.0 0.0 3.5 !  38 HA   (  3.824) ( 0.00 A) (19.00830)
assign (resid  38 and name HN) (resid  37 and name HE*)  0.0 0.0 5.0 !  37 HE*  (  7.244) ( 0.00 A) ( 6.16300)
assign (resid  25 and name HN) (resid  24 and name HB*)  0.0 0.0 5.0 !  24 HB*  (  1.901) ( 0.00 A) ( 6.34250)
assign (resid  26 and name HN) (resid  26 and name HA)  0.0 0.0 2.7 !  26 HA   (  4.255) ( 0.00 A) (36.27010)
assign (resid  26 and name HN) (resid  26 and name HD*)  0.0 0.0 3.5 !  26 HD*  (  1.695) ( 0.00 A) (22.18030)
assign (resid  26 and name HN) (resid  26 and name HG*)  0.0 0.0 3.5 !  26 HG*  (  1.385) ( 0.00 A) (13.27470)
assign (resid  39 and name HN) (resid  39 and name HB*)  0.0 0.0 2.7 !  39 HB*  (  2.856) ( 0.00 A) (38.79170)
assign (resid  36 and name HN) (resid  36 and name HA)  0.0 0.0 2.7 !  36 HA   (  4.540) ( 0.00 A) (38.09210)
assign (resid  39 and name HN) (resid  39 and name HA)  0.0 0.0 2.7 !  39 HA   (  4.540) ( 0.00 A) (38.09210)
assign (resid  25 and name HN) (resid  25 and name HB*)  0.0 0.0 5.0 !  25 HB*  (  2.582) ( 0.00 A) ( 7.37300)
assign (resid  25 and name HN) (resid  24 and name HA)  0.0 0.0 3.5 !  24 HA   (  4.450) ( 0.00 A) (14.66770)
assign (resid  36 and name HN) (resid  35 and name HG1*)  0.0 0.0 5.0 !  35 HG1* (  1.502) ( 0.00 A) ( 6.64170)
assign (resid  26 and name HN) (resid  27 and name HN)  0.0 0.0 5.0 !  27 HN   (  8.117) ( 0.00 A) (12.76930)
assign (resid  37 and name HN) (resid  31 and name HB1)  0.0 0.0 5.0 !  31 HB1  (  4.008) ( 0.00 A) ( 4.65770)
assign (resid  36 and name HN) (resid  35 and name HB)  0.0 0.0 5.0 !  35 HB   (  1.900) ( 0.00 A) (42.49050)
assign (resid  39 and name HN) (resid  38 and name HB)  0.0 0.0 5.0 !  38 HB   (  1.897) ( 0.00 A) (42.49050)
assign (resid  37 and name HN) (resid  30 and name HA)  0.0 0.0 5.0 !  30 HA   (  4.397) ( 0.00 A) (31.02890)
assign (resid  37 and name HN) (resid  29 and name HD*)  0.0 0.0 5.0 !  29 HD*  (  0.886) ( 0.00 A) ( 6.01500)
assign (resid  37 and name HN) (resid  36 and name HB*)  0.0 0.0 5.0 !  36 HB*  (  2.080) ( 0.00 A) (15.83860)
assign (resid  37 and name HN) (resid  37 and name HB*)  0.0 0.0 2.7 !  37 HB*  (  3.162) ( 0.00 A) (53.61020)
assign (resid  37 and name HN) (resid  37 and name HE*)  0.0 0.0 5.0 !  37 HE*  (  7.244) ( 0.00 A) ( 6.62420)
assign (resid  36 and name HN) (resid  36 and name HB*)  0.0 0.0 2.7 !  36 HB*  (  2.080) ( 0.00 A) (48.07490)
assign (resid  35 and name HN) (resid  35 and name HD*)  0.0 0.0 3.5 !  35 HD*  (  0.842) ( 0.00 A) (17.88410)
assign (resid  36 and name HN) (resid  35 and name HA)  0.0 0.0 3.5 !  35 HA   (  3.987) ( 0.00 A) (32.12470)
assign (resid  36 and name HN) (resid  36 and name HG2)  0.0 0.0 2.7 !  36 HG2  (  2.604) ( 0.00 A) (35.92580)
assign (resid  35 and name HN) (resid  35 and name HB)  0.0 0.0 2.7 !  35 HB   (  1.900) ( 0.00 A) (40.13040)
assign (resid  25 and name HN) (resid  24 and name HG2)  0.0 0.0 5.0 !  24 HG2  (  2.070) ( 0.00 A) ( 4.41210)
assign (resid  35 and name HN) (resid  35 and name HG1*)  0.0 0.0 3.5 !  35 HG1* (  1.502) ( 0.00 A) (21.67110)
assign (resid  35 and name HN) (resid  35 and name HG2*)  0.0 0.0 3.5 !  35 HG2* (  1.150) ( 0.00 A) (13.27070)
assign (resid  35 and name HN) (resid  34 and name HA2)  0.0 0.0 5.0 !  34 HA2  (  3.856) ( 0.00 A) (12.69690)
assign (resid  36 and name HN) (resid  35 and name HN)  0.0 0.0 5.0 !  35 HN   (  7.972) ( 0.00 A) (16.15060)
assign (resid  35 and name HN) (resid  33 and name HN)  0.0 0.0 3.5 !  33 HN   (  8.319) ( 0.00 A) (20.29260)
assign (resid  35 and name HN) (resid  36 and name HN)  0.0 0.0 5.0 !  36 HN   (  8.332) ( 0.00 A) (20.29260)
assign (resid  35 and name HN) (resid  34 and name HA1)  0.0 0.0 5.0 !  34 HA1  (  3.987) ( 0.00 A) (35.05500)
assign (resid  35 and name HN) (resid  35 and name HA)  0.0 0.0 2.7 !  35 HA   (  3.987) ( 0.00 A) (35.05500)
assign (resid  35 and name HN) (resid  32 and name HA)  0.0 0.0 5.0 !  32 HA   (  4.252) ( 0.00 A) ( 4.94000)
assign (resid  35 and name HN) (resid  34 and name HN)  0.0 0.0 5.0 !  34 HN   (  8.150) ( 0.00 A) (16.95340)
assign (resid   3 and name HN) (resid   3 and name HA)  0.0 0.0 3.5 !   3 HA   (  4.190) ( 0.00 A) (17.25870)
assign (resid   3 and name HN) (resid   4 and name HN)  0.0 0.0 3.5 !   4 HN   (  8.341) ( 0.00 A) (13.51240)
assign (resid   3 and name HN) (resid   3 and name HG*)  0.0 0.0 3.5 !   3 HG*  (  2.294) ( 0.00 A) (10.27500)
assign (resid   3 and name HN) (resid   2 and name HA)  0.0 0.0 5.0 !   2 HA   (  4.658) ( 0.00 A) (40.03060)
assign (resid   3 and name HN) (resid   3 and name HB*)  0.0 0.0 3.5 !   3 HB*  (  1.941) ( 0.00 A) (23.71570)
assign (resid   3 and name HN) (resid   2 and name HB2)  0.0 0.0 5.0 !   2 HB2  (  2.792) ( 0.00 A) ( 5.13490)
assign (resid  10 and name HN) (resid  11 and name HB2)  0.0 0.0 5.0 !  11 HB2  (  2.738) ( 0.00 A) ( 9.39910)
assign (resid  10 and name HN) (resid  10 and name HB*)  0.0 0.0 3.5 !  10 HB*  (  1.925) ( 0.00 A) (11.86190)
assign (resid  10 and name HN) (resid   9 and name HA)  0.0 0.0 5.0 !   9 HA   (  4.560) ( 0.00 A) (20.31310)
assign (resid  27 and name HN) (resid  27 and name HA)  0.0 0.0 3.5 !  27 HA   (  4.511) ( 0.00 A) (20.78990)
assign (resid  27 and name HN) (resid  28 and name HD1)  0.0 0.0 5.0 !  28 HD1  (  3.732) ( 0.00 A) ( 5.40800)
assign (resid  27 and name HN) (resid  26 and name HN)  0.0 0.0 5.0 !  26 HN   (  8.305) ( 0.00 A) (11.34420)
assign (resid  27 and name HN) (resid  26 and name HA)  0.0 0.0 3.5 !  26 HA   (  4.255) ( 0.00 A) (38.99550)
assign (resid  27 and name HN) (resid  27 and name HB2)  0.0 0.0 2.7 !  27 HB2  (  1.705) ( 0.00 A) (38.87520)
assign (resid  10 and name HN) (resid   9 and name HE1)  0.0 0.0 5.0 !   9 HE1  (  8.505) ( 0.00 A) ( 6.06770)
assign (resid  22 and name HN) (resid  19 and name HD*)  0.0 0.0 5.0 !  19 HD*  (  1.596) ( 0.00 A) ( 4.99100)
assign (resid  22 and name HN) (resid  20 and name HG)  0.0 0.0 5.0 !  20 HG   (  1.410) ( 0.00 A) ( 5.50840)
assign (resid  22 and name HN) (resid  22 and name HA)  0.0 0.0 3.5 !  22 HA   (  4.490) ( 0.00 A) (13.75600)
assign (resid  22 and name HN) (resid  22 and name HB2)  0.0 0.0 2.7 !  22 HB2  (  2.583) ( 0.00 A) (31.28040)
assign (resid  22 and name HN) (resid  21 and name HA)  0.0 0.0 2.7 !  21 HA   (  4.637) ( 0.00 A) (69.78870)
assign (resid  22 and name HN) (resid  22 and name HB1)  0.0 0.0 3.5 !  22 HB1  (  2.924) ( 0.00 A) (20.86110)
assign (resid  52 and name HN) (resid  52 and name HB*)  0.0 0.0 2.7 !  52 HB*  (  1.424) ( 0.00 A) (60.45130)
assign (resid  52 and name HN) (resid  50 and name HA)  0.0 0.0 5.0 !  50 HA   (  4.181) ( 0.00 A) (33.32820)
assign (resid  52 and name HN) (resid  49 and name HB*)  0.0 0.0 5.0 !  49 HB*  (  2.087) ( 0.00 A) (16.32330)
assign (resid  40 and name HN) (resid  39 and name HB*)  0.0 0.0 3.5 !  39 HB*  (  2.856) ( 0.00 A) (18.49790)
assign (resid  40 and name HN) (resid  40 and name HA)  0.0 0.0 3.5 !  40 HA   (  3.951) ( 0.00 A) (18.84840)
assign (resid  40 and name HN) (resid  39 and name HA)  0.0 0.0 5.0 !  39 HA   (  4.540) ( 0.00 A) (30.79170)
assign (resid  30 and name HN) (resid  31 and name HN)  0.0 0.0 5.0 !  31 HN   (  8.232) ( 0.00 A) (23.56090)
assign (resid  30 and name HN) (resid  29 and name HD*)  0.0 0.0 3.5 !  29 HD*  (  0.886) ( 0.00 A) (16.88580)
assign (resid  30 and name HN) (resid  30 and name HA)  0.0 0.0 3.5 !  30 HA   (  4.397) ( 0.00 A) (23.04140)
assign (resid  30 and name HN) (resid  30 and name HG*)  0.0 0.0 3.5 !  30 HG*  (  2.321) ( 0.00 A) (12.49230)
assign (resid  30 and name HN) (resid  29 and name HA)  0.0 0.0 2.7 !  29 HA   (  4.140) ( 0.00 A) (67.23020)
assign (resid  30 and name HN) (resid  30 and name HB1)  0.0 0.0 3.5 !  30 HB1  (  2.091) ( 0.00 A) (12.49970)
assign (resid  30 and name HN) (resid  29 and name HN)  0.0 0.0 5.0 !  29 HN   (  8.036) ( 0.00 A) ( 9.70830)
assign (resid  45 and name HN) (resid  43 and name HN)  0.0 0.0 5.0 !  43 HN   (  7.796) ( 0.00 A) ( 4.63410)
assign (resid  45 and name HN) (resid  44 and name HA)  0.0 0.0 5.0 !  44 HA   (  4.497) ( 0.00 A) ( 7.04930)
assign (resid  45 and name HN) (resid  44 and name HB*)  0.0 0.0 3.5 !  44 HB*  (  2.683) ( 0.00 A) (16.77950)
assign (resid  45 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0 !  20 HD1* (  0.924) ( 0.00 A) ( 4.70020)
assign (resid  45 and name HN) (resid  46 and name HN)  0.0 0.0 3.5 !  46 HN   (  7.400) ( 0.00 A) (16.41720)
assign (resid  45 and name HN) (resid  45 and name HB*)  0.0 0.0 2.7 !  45 HB*  (  1.903) ( 0.00 A) (32.80710)
assign (resid  45 and name HN) (resid  44 and name HN)  0.0 0.0 3.5 !  44 HN   (  8.114) ( 0.00 A) (15.71530)
assign (resid  45 and name HN) (resid  45 and name HD*)  0.0 0.0 2.7 !  45 HD*  (  1.715) ( 0.00 A) (35.24770)
assign (resid  45 and name HN) (resid  45 and name HA)  0.0 0.0 3.5 !  45 HA   (  3.743) ( 0.00 A) (22.65780)
assign (resid  45 and name HN) (resid  20 and name HD2*)  0.0 0.0 3.5 !  20 HD2* (  0.672) ( 0.00 A) (14.98460)
assign (resid  45 and name HN) (resid  42 and name HB*)  0.0 0.0 5.0 !  42 HB*  (  1.409) ( 0.00 A) ( 4.45040)
assign (resid  16 and name HN) (resid  15 and name HA)  0.0 0.0 3.5 !  15 HA   (  5.033) ( 0.00 A) (45.13520)
assign (resid  16 and name HN) (resid  16 and name HA)  0.0 0.0 3.5 !  16 HA   (  4.547) ( 0.00 A) (15.69670)
assign (resid  16 and name HN) (resid  20 and name HA)  0.0 0.0 3.5 !  20 HA   (  4.530) ( 0.00 A) (15.69670)
assign (resid  16 and name HN) (resid  16 and name HB*)  0.0 0.0 3.5 !  16 HB*  (  1.805) ( 0.00 A) (18.92640)
assign (resid  16 and name HN) (resid  16 and name HG*)  0.0 0.0 5.0 !  16 HG*  (  1.382) ( 0.00 A) ( 6.26960)
assign (resid  16 and name HN) (resid  19 and name HN)  0.0 0.0 3.5 !  19 HN   (  7.678) ( 0.00 A) (11.21540)
assign (resid  16 and name HN) (resid  15 and name HN)  0.0 0.0 5.0 !  15 HN   (  7.407) ( 0.00 A) ( 5.42830)
assign (resid  32 and name HN) (resid  32 and name HD2*)  0.0 0.0 5.0 !  32 HD2* (  0.881) ( 0.00 A) ( 6.60550)
assign (resid  32 and name HN) (resid  31 and name HA)  0.0 0.0 2.7 !  31 HA   (  4.515) ( 0.00 A) (55.52090)
assign (resid  32 and name HN) (resid  32 and name HA)  0.0 0.0 3.5 !  32 HA   (  4.252) ( 0.00 A) (17.05740)
assign (resid  32 and name HN) (resid  31 and name HB1)  0.0 0.0 3.5 !  31 HB1  (  4.008) ( 0.00 A) (15.57930)
assign (resid  32 and name HN) (resid  32 and name HG)  0.0 0.0 2.7 !  32 HG   (  1.661) ( 0.00 A) (53.01860)
assign (resid  32 and name HN) (resid  31 and name HB2)  0.0 0.0 5.0 !  31 HB2  (  3.850) ( 0.00 A) ( 6.51080)
assign (resid  32 and name HN) (resid  33 and name HN)  0.0 0.0 3.5 !  33 HN   (  8.319) ( 0.00 A) (13.64310)
assign (resid  17 and name HN) (resid  17 and name HB1)  0.0 0.0 5.0 !  17 HB1  (  3.066) ( 0.00 A) ( 5.94230)
assign (resid  17 and name HN) (resid  17 and name HA)  0.0 0.0 2.7 !  17 HA   (  4.381) ( 0.00 A) (43.83140)
assign (resid  17 and name HN) (resid  18 and name HN)  0.0 0.0 5.0 !  18 HN   (  8.746) ( 0.00 A) ( 7.92370)
assign (resid  17 and name HN) (resid  16 and name HA)  0.0 0.0 2.7 !  16 HA   (  4.547) ( 0.00 A) (48.85510)
assign (resid  20 and name HN) (resid  20 and name HA)  0.0 0.0 2.7 !  20 HA   (  4.530) ( 0.00 A) (48.85510)
assign (resid  20 and name HN) (resid  19 and name HB2)  0.0 0.0 5.0 !  19 HB2  (  1.361) ( 0.00 A) (15.45950)
assign (resid  20 and name HN) (resid  20 and name HB1)  0.0 0.0 3.5 !  20 HB1  (  1.707) ( 0.00 A) (17.62010)
assign (resid  20 and name HN) (resid  19 and name HA)  0.0 0.0 5.0 !  19 HA   (  4.659) ( 0.00 A) (36.92810)
assign (resid  18 and name HN) (resid  17 and name HN)  0.0 0.0 3.5 !  17 HN   (  9.528) ( 0.00 A) (12.30810)
assign (resid  18 and name HN) (resid  17 and name HA)  0.0 0.0 3.5 !  17 HA   (  4.381) ( 0.00 A) (28.18670)
assign (resid  18 and name HN) (resid  18 and name HA2)  0.0 0.0 2.7 !  18 HA2  (  3.498) ( 0.00 A) (45.18320)
assign (resid  18 and name HN) (resid  18 and name HA1)  0.0 0.0 3.5 !  18 HA1  (  4.093) ( 0.00 A) (28.98880)
assign (resid  18 and name HN) (resid  19 and name HN)  0.0 0.0 3.5 !  19 HN   (  7.678) ( 0.00 A) (17.96260)
assign (resid  18 and name HN) (resid  19 and name HB1)  0.0 0.0 5.0 !  19 HB1  (  1.726) ( 0.00 A) ( 8.83770)
assign (resid  18 and name HN) (resid  16 and name HA)  0.0 0.0 5.0 !  16 HA   (  4.547) ( 0.00 A) ( 5.46740)
assign (resid  55 and name HN) (resid  55 and name HB2)  0.0 0.0 5.0 !  55 HB2  (  1.916) ( 0.00 A) ( 7.47750)
assign (resid  55 and name HN) (resid  55 and name HA)  0.0 0.0 5.0 !  55 HA   (  4.154) ( 0.00 A) ( 8.32380)
assign (resid  55 and name HN) (resid  54 and name HA)  0.0 0.0 3.5 !  54 HA   (  4.454) ( 0.00 A) (13.78380)
assign (resid  21 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0 !  20 HD1* (  0.924) ( 0.00 A) (22.68190)
assign (resid  21 and name HN) (resid  20 and name HA)  0.0 0.0 5.0 !  20 HA   (  4.530) ( 0.00 A) (60.09700)
assign (resid  21 and name HN) (resid  21 and name HB*)  0.0 0.0 2.7 !  21 HB*  (  3.036) ( 0.00 A) (35.36100)
assign (resid  21 and name HN) (resid  15 and name HA)  0.0 0.0 5.0 !  15 HA   (  5.033) ( 0.00 A) ( 7.00770)
assign (resid  21 and name HN) (resid  21 and name HE*)  0.0 0.0 5.0 !  21 HE*  (  7.314) ( 0.00 A) ( 9.49010)
assign (resid  21 and name HN) (resid  20 and name HB1)  0.0 0.0 5.0 !  20 HB1  (  1.707) ( 0.00 A) ( 6.76270)
assign (resid  10 and name HN) (resid   7 and name HA)  0.0 0.0 5.0 
assign (resid  45 and name HN) (resid  42 and name HA)  0.0 0.0 5.0
assign (resid  46 and name HN) (resid  43 and name HA)  0.0 0.0 5.0
assign (resid  49 and name HN) (resid  46 and name HA)  0.0 0.0 5.0
assign (resid  52 and name HN) (resid  49 and name HA)  0.0 0.0 5.0 
assign (resid  44 and name HN) (resid  20 and name HD2*)  0.0 0.0 5.0 
assign (resid  39 and name HD21) (resid  32 and name HD*)  0.0 0.0 5.0
assign (resid  12 and name HN) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid  16 and name HN) (resid  18 and name HN)  0.0 0.0 5.0 
assign (resid  18 and name HN) (resid  15 and name HB*)  0.0 0.0 5.0
assign (resid  19 and name HN) (resid  17 and name HB1)  0.0 0.0 5.0
assign (resid  19 and name HN) (resid  17 and name HB2)  0.0 0.0 5.0
assign (resid  21 and name HN) (resid  16 and name HN)  0.0 0.0 5.0
assign (resid  22 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  22 and name HN) (resid  20 and name HD2*)  0.0 0.0 5.0
assign (resid  40 and name HN) (resid  11 and name HD*)  0.0 0.0 5.0
assign (resid  12 and name HA) (resid  15 and name HG1)  0.0 0.0 5.0
assign (resid  11 and name HB1) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  12 and name HA) (resid  15 and name HG2)  0.0 0.0 5.0
assign (resid  14 and name HB2) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  11 and name HB2) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  15 and name HG2) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  15 and name HG1) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  15 and name HA) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  11 and name HB1) (resid  20 and name HD2*)  0.0 0.0 5.0
assign (resid  15 and name HG1) (resid  20 and name HD2*)  0.0 0.0 5.0
assign (resid  11 and name HB2) (resid  20 and name HD2*)  0.0 0.0 5.0
assign (resid  15 and name HG1) (resid  19 and name HB1)  0.0 0.0 5.0
assign (resid  28 and name HD1) (resid  27 and name HA)  0.0 0.0 5.0
assign (resid  28 and name HD2) (resid  27 and name HA)  0.0 0.0 5.0
assign (resid  23 and name HD1) (resid  22 and name HB1)  0.0 0.0 5.0
assign (resid  37 and name HB*) (resid  31 and name HB2)  0.0 0.0 5.0
assign (resid   4 and name HB*) (resid   5 and name HA)  0.0 0.0 5.0
assign (resid   4 and name HB*) (resid   2 and name HA)  0.0 0.0 5.0
assign (resid   7 and name HG*) (resid  10 and name HD*)  0.0 0.0 5.0
assign (resid  23 and name HD1) (resid  22 and name HB2)  0.0 0.0 5.0
assign (resid  27 and name HB1) (resid  28 and name HD2)  0.0 0.0 5.0
assign (resid  33 and name HA) (resid  35 and name HD*)  0.0 0.0 5.0
assign (resid  42 and name HA) (resid  41 and name HB1)  0.0 0.0 5.0
assign (resid  42 and name HA) (resid  45 and name HD*)  0.0 0.0 5.0
assign (resid  44 and name HB*) (resid  45 and name HA)  0.0 0.0 5.0
assign (resid  43 and name HA) (resid  46 and name HB*)  0.0 0.0 5.0
assign (resid  49 and name HA) (resid  52 and name HB*)  0.0 0.0 5.0
assign (resid  29 and name HD*) (resid  37 and name HB*)  0.0 0.0 5.0
assign (resid  40 and name HA) (resid  29 and name HG2*)  0.0 0.0 5.0 
assign (resid  39 and name HD22) (resid  32 and name HD2*)  0.0 0.0 5.0
assign (resid  39 and name HD21) (resid  32 and name HD2*)  0.0 0.0 5.0
assign (resid  39 and name HD21) (resid  32 and name HD1*)  0.0 0.0 5.0
assign (resid   4 and name HB*) (resid  32 and name HD2*)  0.0 0.0 3.5 
assign (resid   4 and name HB*) (resid  32 and name HD1*)  0.0 0.0 3.5 
assign (resid  30 and name HA) (resid  36 and name HA)  0.0 0.0 5.0
assign (resid  30 and name HA) (resid  36 and name HB*)  0.0 0.0 5.0
assign (resid  30 and name HA) (resid  36 and name HG1)  0.0 0.0 5.0
assign (resid  31 and name HN) (resid  37 and name HB*)  0.0 0.0 5.0
assign (resid  29 and name HD*) (resid  37 and name HE*)  0.0 0.0 5.0
assign (resid   7 and name HA) (resid  40 and name HG*)  0.0 0.0 5.0
assign (resid   7 and name HG*) (resid  40 and name HB*)  0.0 0.0 5.0
assign (resid  11 and name HE*) (resid  40 and name HB*)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  40 and name HB*)  0.0 0.0 3.5 
assign (resid  11 and name HD*) (resid  40 and name HA)  0.0 0.0 5.0
assign (resid  11 and name HB1) (resid  40 and name HB*)  0.0 0.0 5.0
assign (resid  42 and name HA) (resid  35 and name HD*)  0.0 0.0 5.0
assign (resid  42 and name HA) (resid  45 and name HB*)  0.0 0.0 5.0
assign (resid   5 and name HG*) (resid  47 and name HG2*)  0.0 0.0 5.0
assign (resid  26 and name HN) (resid  25 and name HB*)  0.0 0.0 5.0
assign (resid  13 and name HA) (resid  12 and name HB*)  0.0 0.0 5.0
assign (resid  42 and name HB*) (resid  39 and name HA)  0.0 0.0 5.0
assign (resid  42 and name HB*) (resid  39 and name HB*)  0.0 0.0 5.0
assign (resid  11 and name HE*) (resid  44 and name HB*)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  44 and name HB*)  0.0 0.0 5.0
assign (resid  11 and name HN) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid   8 and name HB*) (resid  44 and name HA)  0.0 0.0 5.0
assign (resid   4 and name HB*) (resid  47 and name HG2*)  0.0 0.0 5.0
assign (resid  47 and name HG2*) (resid   5 and name HB1)  0.0 0.0 5.0
assign (resid  11 and name HB1) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid  11 and name HB2) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid  48 and name HD1*) (resid  11 and name HA)  0.0 0.0 5.0
assign (resid  48 and name HD1*) (resid  12 and name HA)  0.0 0.0 3.5 
assign (resid  48 and name HD2*) (resid  12 and name HA)  0.0 0.0 5.0
assign (resid  48 and name HD2*) (resid  12 and name HG*)  0.0 0.0 5.0
assign (resid  48 and name HD1*) (resid  12 and name HB*)  0.0 0.0 5.0
assign (resid  48 and name HD2*) (resid  12 and name HB*)  0.0 0.0 5.0
assign (resid  48 and name HD1*) (resid  12 and name HG*)  0.0 0.0 5.0
assign (resid  43 and name HG2*) (resid  33 and name HA)  0.0 0.0 5.0
assign (resid   6 and name HN) (resid   4 and name HA)  0.0 0.0 5.0
assign (resid   9 and name HN) (resid   7 and name HA)  0.0 0.0 5.0
assign (resid  43 and name HN) (resid  39 and name HA)  0.0 0.0 5.0
assign (resid  44 and name HN) (resid  42 and name HB*)  0.0 0.0 5.0
assign (resid  46 and name HN) (resid  44 and name HA)  0.0 0.0 5.0
assign (resid  50 and name HN) (resid  47 and name HA)  0.0 0.0 5.0
assign (resid  15 and name HN) (resid  13 and name HN)  0.0 0.0 5.0
assign (resid  14 and name HD*) (resid  11 and name HB1)  0.0 0.0 5.0
assign (resid  14 and name HD*) (resid  11 and name HA)  0.0 0.0 5.0
assign (resid  15 and name HN) (resid  20 and name HA)  0.0 0.0 5.0
assign (resid  16 and name HN) (resid  19 and name HB1)  0.0 0.0 5.0
assign (resid  21 and name HE*) (resid  16 and name HB*)  0.0 0.0 5.0
assign (resid  21 and name HE*) (resid  19 and name HB1)  0.0 0.0 5.0
assign (resid  21 and name HE*) (resid  19 and name HB2)  0.0 0.0 5.0
assign (resid  21 and name HE*) (resid  16 and name HA)  0.0 0.0 5.0
assign (resid  47 and name HB) (resid  44 and name HA)  0.0 0.0 5.0
assign (resid  46 and name HA) (resid  49 and name HB2)  0.0 0.0 5.0
assign (resid  47 and name HA) (resid  50 and name HB*)  0.0 0.0 5.0
assign (resid  51 and name HB1) (resid  48 and name HA)  0.0 0.0 5.0
assign (resid  55 and name HN) (resid  53 and name HA)  0.0 0.0 5.0
assign (resid   3 and name HN) (resid   2 and name HB1)  0.0 0.0 5.0
assign (resid  17 and name HN) (resid  16 and name HB*)  0.0 0.0 5.0
assign (resid  17 and name HN) (resid  16 and name HA)  0.0 0.0 2.7 
assign (resid  18 and name HN) (resid  17 and name HB2)  0.0 0.0 5.0
assign (resid  18 and name HN) (resid  17 and name HB1)  0.0 0.0 5.0
assign (resid  21 and name HN) (resid  20 and name HG)  0.0 0.0 5.0
assign (resid  21 and name HN) (resid  20 and name HB2)  0.0 0.0 5.0
assign (resid  22 and name HN) (resid  21 and name HB*)  0.0 0.0 5.0
assign (resid  27 and name HN) (resid  26 and name HB*)  0.0 0.0 5.0
assign (resid  30 and name HN) (resid  29 and name HB)  0.0 0.0 5.0
assign (resid  39 and name HN) (resid  38 and name HA)  0.0 0.0 5.0
assign (resid  50 and name HN) (resid  49 and name HA)  0.0 0.0 5.0
assign (resid  50 and name HN) (resid  49 and name HB2)  0.0 0.0 5.0
assign (resid  50 and name HN) (resid  49 and name HB1)  0.0 0.0 5.0
assign (resid  54 and name HN) (resid  55 and name HN)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  14 and name HD*)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  14 and name HE*)  0.0 0.0 5.0
assign (resid  11 and name HE*) (resid  14 and name HD*)  0.0 0.0 5.0
assign (resid  11 and name HE*) (resid  14 and name HE*)  0.0 0.0 5.0
assign (resid  15 and name HA) (resid  20 and name HA)  0.0 0.0 3.5 
assign (resid  20 and name HA) (resid  15 and name HG2)  0.0 0.0 5.0
assign (resid  19 and name HA) (resid  15 and name HG1)  0.0 0.0 5.0
assign (resid  19 and name HA) (resid  18 and name HA1)  0.0 0.0 5.0
assign (resid  36 and name HA) (resid  30 and name HB2)  0.0 0.0 5.0
assign (resid  37 and name HA) (resid  31 and name HB2)  0.0 0.0 5.0
assign (resid  22 and name HA) (resid  23 and name HD1)  0.0 0.0 3.5 
assign (resid  22 and name HA) (resid  23 and name HD2)  0.0 0.0 3.5 
assign (resid   5 and name HA) (resid  47 and name HG2*)  0.0 0.0 5.0
assign (resid  16 and name HB*) (resid  19 and name HB2)  0.0 0.0 5.0
assign (resid  45 and name HA) (resid  20 and name HB2)  0.0 0.0 5.0
assign (resid  45 and name HA) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  45 and name HA) (resid  20 and name HD2*)  0.0 0.0 3.5 
assign (resid  11 and name HD*) (resid  14 and name HB2)  0.0 0.0 5.0
assign (resid  45 and name HA) (resid  48 and name HG)  0.0 0.0 5.0
assign (resid  14 and name HB1) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid   5 and name HA) (resid  47 and name HG2*)  0.0 0.0 5.0
assign (resid  45 and name HA) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid  44 and name HB*) (resid  20 and name HD1*)  0.0 0.0 3.5 
assign (resid  44 and name HB*) (resid  20 and name HD2*)  0.0 0.0 5.0
assign (resid  45 and name HB*) (resid  20 and name HD2*)  0.0 0.0 5.0
assign (resid  45 and name HB*) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  45 and name HB*) (resid  20 and name HB2)  0.0 0.0 5.0
assign (resid  45 and name HG*) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  47 and name HG2*) (resid   8 and name HA)  0.0 0.0 5.0
assign (resid  47 and name HG2*) (resid   5 and name HA)  0.0 0.0 5.0
assign (resid  15 and name HA) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid  15 and name HG1) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid  15 and name HG1) (resid  48 and name HD2*)  0.0 0.0 5.0
assign (resid  15 and name HG2) (resid  48 and name HD1*)  0.0 0.0 5.0
assign (resid  15 and name HG1) (resid  48 and name HG)  0.0 0.0 5.0
assign (resid  14 and name HE*) (resid  13 and name HB*)  0.0 0.0 5.0
assign (resid  14 and name HD*) (resid  13 and name HB*)  0.0 0.0 5.0
assign (resid  14 and name HD*) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  14 and name HD*) (resid  11 and name HB2)  0.0 0.0 5.0
assign (resid  11 and name HE*) (resid  20 and name HD2*)  0.0 0.0 3.5 
assign (resid  11 and name HE*) (resid  20 and name HD1*)  0.0 0.0 3.5 
assign (resid  11 and name HE*) (resid  41 and name HB2)  0.0 0.0 5.0
assign (resid  11 and name HE*) (resid  14 and name HB2)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  20 and name HD2*)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  20 and name HD1*)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  41 and name HB2)  0.0 0.0 5.0 
assign (resid  11 and name HD*) (resid  41 and name HB1)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  14 and name HB2)  0.0 0.0 5.0
assign (resid  11 and name HD*) (resid  40 and name HA)  0.0 0.0 5.0
assign (resid  16 and name HN) (resid  21 and name HE*)  0.0 0.0 5.0
assign (resid  15 and name HN) (resid  13 and name HB*)  0.0 0.0 5.0
assign (resid  42 and name HN) (resid  44 and name HN)  0.0 0.0 5.0
assign (resid  42 and name HN) (resid  45 and name HN)  0.0 0.0 5.0
assign (resid  46 and name HN) (resid  49 and name HN)  0.0 0.0 5.0
assign (resid  47 and name HN) (resid  49 and name HN)  0.0 0.0 5.0
assign (resid  47 and name HN) (resid  45 and name HN)  0.0 0.0 5.0
assign (resid  49 and name HN) (resid  45 and name HA)  0.0 0.0 5.0
assign (resid  54 and name HN) (resid  52 and name HA)  0.0 0.0 5.0
assign (resid  13 and name HN) (resid  15 and name HN)  0.0 0.0 5.0
assign (resid  44 and name HA) (resid  47 and name HB)  0.0 0.0 5.0
assign (resid  48 and name HA) (resid  51 and name HB1)  0.0 0.0 5.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1          1H        LYS   1  -8.160  10.323  -1.940
    2    H2   LYS   1          3H        LYS   1  -8.609  10.860  -3.485
    3    H3   LYS   1          2H        LYS   1  -6.965  10.739  -3.074
    4    HA   LYS   1           HA       LYS   1  -7.018  12.582  -1.694
    5   1HB   LYS   1          2HB       LYS   1  -8.967  13.101  -3.961
    6   2HB   LYS   1          1HB       LYS   1  -8.110  14.347  -3.053
    7   1HG   LYS   1          2HG       LYS   1  -5.947  13.289  -3.759
    8   2HG   LYS   1          1HG       LYS   1  -6.868  12.180  -4.774
    9   1HD   LYS   1          2HD       LYS   1  -7.832  14.125  -5.985
   10   2HD   LYS   1          1HD       LYS   1  -6.848  15.206  -4.999
   11   1HE   LYS   1          2HE       LYS   1  -4.854  14.516  -5.997
   12   2HE   LYS   1          1HE       LYS   1  -5.524  12.962  -6.495
   13   1HZ   LYS   1          2HZ       LYS   1  -6.832  15.285  -7.622
   14   2HZ   LYS   1          1HZ       LYS   1  -5.225  15.058  -8.125
   15   3HZ   LYS   1          3HZ       LYS   1  -6.368  13.828  -8.365
   16    H    ASN   2           H        ASN   2  -8.651  14.466  -0.948
   17    HA   ASN   2           HA       ASN   2 -10.320  13.367   1.056
   18   1HB   ASN   2          2HB       ASN   2 -10.472  16.092  -0.269
   19   2HB   ASN   2          1HB       ASN   2 -11.279  15.657   1.237
   20   1HD2  ASN   2          1HD2      ASN   2  -9.273  17.732   1.108
   21   2HD2  ASN   2          2HD2      ASN   2  -7.927  17.215   2.003
   22    H    GLU   3           H        GLU   3 -11.019  14.238  -2.288
   23    HA   GLU   3           HA       GLU   3 -13.869  14.146  -2.132
   24   1HB   GLU   3          2HB       GLU   3 -11.992  13.495  -4.423
   25   2HB   GLU   3          1HB       GLU   3 -13.741  13.644  -4.592
   26   1HG   GLU   3          2HG       GLU   3 -11.866  15.811  -3.593
   27   2HG   GLU   3          1HG       GLU   3 -12.631  15.763  -5.181
   28    H    ASP   4           H        ASP   4 -11.432  11.615  -2.425
   29    HA   ASP   4           HA       ASP   4 -13.157   9.465  -3.152
   30   1HB   ASP   4          2HB       ASP   4 -10.677   9.377  -1.404
   31   2HB   ASP   4          1HB       ASP   4 -11.411   8.000  -2.226
   32    H    GLN   5           H        GLN   5 -12.570  11.066  -0.088
   33    HA   GLN   5           HA       GLN   5 -13.752   9.039   1.587
   34   1HB   GLN   5          2HB       GLN   5 -13.416  12.025   1.997
   35   2HB   GLN   5          1HB       GLN   5 -13.948  10.904   3.251
   36   1HG   GLN   5          2HG       GLN   5 -11.848   9.647   3.044
   37   2HG   GLN   5          1HG       GLN   5 -11.319  10.717   1.746
   38   1HE2  GLN   5          1HE2      GLN   5  -9.758  10.508   4.103
   39   2HE2  GLN   5          2HE2      GLN   5  -9.862  11.964   4.969
   40    H    GLU   6           H        GLU   6 -15.043  11.733  -0.280
   41    HA   GLU   6           HA       GLU   6 -17.627  11.893   0.883
   42   1HB   GLU   6          2HB       GLU   6 -16.782  12.289  -2.004
   43   2HB   GLU   6          1HB       GLU   6 -18.341  12.779  -1.340
   44   1HG   GLU   6          2HG       GLU   6 -17.144  14.207   0.319
   45   2HG   GLU   6          1HG       GLU   6 -15.616  13.773  -0.449
   46    H    MET   7           H        MET   7 -16.379   9.770  -1.688
   47    HA   MET   7           HA       MET   7 -18.843   8.494  -2.327
   48   1HB   MET   7          2HB       MET   7 -15.956   7.657  -2.509
   49   2HB   MET   7          1HB       MET   7 -17.244   6.532  -2.939
   50   1HG   MET   7          2HG       MET   7 -18.139   8.185  -4.551
   51   2HG   MET   7          1HG       MET   7 -16.829   9.290  -4.136
   52   1HE   MET   7          1HE       MET   7 -14.367   8.133  -3.854
   53   2HE   MET   7          3HE       MET   7 -14.839   6.449  -3.588
   54   3HE   MET   7          2HE       MET   7 -13.761   6.867  -4.918
   55    H    CYS   8           H        CYS   8 -16.580   8.027   0.315
   56    HA   CYS   8           HA       CYS   8 -17.734   5.501   1.179
   57   1HB   CYS   8          2HB       CYS   8 -15.411   6.132   1.751
   58   2HB   CYS   8          1HB       CYS   8 -16.018   7.488   2.701
   59    H    HIS   9           H        HIS   9 -18.555   8.833   1.557
   60    HA   HIS   9           HA       HIS   9 -19.897   8.816   4.048
   61   1HB   HIS   9          2HB       HIS   9 -19.626  10.909   2.906
   62   2HB   HIS   9          1HB       HIS   9 -20.475  10.313   1.480
   63    HD1  HIS   9           HD1      HIS   9 -23.091   9.619   1.964
   64    HD2  HIS   9           HD2      HIS   9 -21.292  12.181   4.717
   65    HE1  HIS   9           HE1      HIS   9 -24.972  10.710   3.262
   66    H    GLU  10           H        GLU  10 -21.361   8.296   0.812
   67    HA   GLU  10           HA       GLU  10 -23.884   7.421   1.827
   68   1HB   GLU  10          2HB       GLU  10 -22.534   6.708  -0.796
   69   2HB   GLU  10          1HB       GLU  10 -24.250   6.510  -0.437
   70   1HG   GLU  10          2HG       GLU  10 -24.448   8.946  -0.062
   71   2HG   GLU  10          1HG       GLU  10 -22.735   9.139  -0.436
   72    H    PHE  11           H        PHE  11 -20.889   5.689   1.084
   73    HA   PHE  11           HA       PHE  11 -22.076   3.068   1.605
   74   1HB   PHE  11          2HB       PHE  11 -19.411   4.137   0.853
   75   2HB   PHE  11          1HB       PHE  11 -19.399   2.641   1.785
   76    HD1  PHE  11           HD1      PHE  11 -22.365   3.279  -0.214
   77    HD2  PHE  11           HD2      PHE  11 -18.438   1.540  -0.282
   78    HE1  PHE  11           HE1      PHE  11 -22.964   2.000  -2.250
   79    HE2  PHE  11           HE2      PHE  11 -19.038   0.262  -2.312
   80    HZ   PHE  11           HZ       PHE  11 -21.300   0.493  -3.302
   81    H    GLN  12           H        GLN  12 -21.059   5.646   3.522
   82    HA   GLN  12           HA       GLN  12 -20.001   4.100   5.757
   83   1HB   GLN  12          2HB       GLN  12 -19.367   6.471   5.390
   84   2HB   GLN  12          1HB       GLN  12 -21.042   6.950   5.663
   85   1HG   GLN  12          2HG       GLN  12 -20.927   5.945   7.938
   86   2HG   GLN  12          1HG       GLN  12 -19.229   5.558   7.659
   87   1HE2  GLN  12          1HE2      GLN  12 -17.943   7.075   8.713
   88   2HE2  GLN  12          2HE2      GLN  12 -18.258   8.742   8.786
   89    H    ALA  13           H        ALA  13 -23.112   5.537   4.852
   90    HA   ALA  13           HA       ALA  13 -24.434   4.885   7.340
   91   1HB   ALA  13          2HB       ALA  13 -26.321   4.923   5.204
   92   2HB   ALA  13          1HB       ALA  13 -26.003   6.192   6.387
   93   3HB   ALA  13          3HB       ALA  13 -25.116   6.164   4.862
   94    H    PHE  14           H        PHE  14 -23.894   3.214   4.287
   95    HA   PHE  14           HA       PHE  14 -25.678   0.998   4.934
   96   1HB   PHE  14          2HB       PHE  14 -23.531   1.380   2.829
   97   2HB   PHE  14          1HB       PHE  14 -24.488  -0.095   2.972
   98    HD1  PHE  14           HD1      PHE  14 -27.121   0.338   3.197
   99    HD2  PHE  14           HD2      PHE  14 -24.310   3.049   1.405
  100    HE1  PHE  14           HE1      PHE  14 -28.965   1.413   1.934
  101    HE2  PHE  14           HE2      PHE  14 -26.156   4.124   0.141
  102    HZ   PHE  14           HZ       PHE  14 -28.482   3.306   0.407
  103    H    MET  15           H        MET  15 -22.764   1.963   6.193
  104    HA   MET  15           HA       MET  15 -21.481  -0.654   6.413
  105   1HB   MET  15          2HB       MET  15 -20.405   1.742   6.489
  106   2HB   MET  15          1HB       MET  15 -20.847   1.683   8.195
  107   1HG   MET  15          2HG       MET  15 -19.254  -0.488   6.803
  108   2HG   MET  15          1HG       MET  15 -18.516   0.843   7.694
  109   1HE   MET  15          1HE       MET  15 -19.115   1.581   9.748
  110   2HE   MET  15          3HE       MET  15 -20.547   0.999  10.607
  111   3HE   MET  15          2HE       MET  15 -18.940   0.499  11.127
  112    H    LYS  16           H        LYS  16 -21.748  -2.105   8.076
  113    HA   LYS  16           HA       LYS  16 -23.076  -1.202  10.570
  114   1HB   LYS  16          2HB       LYS  16 -24.137  -3.427   8.804
  115   2HB   LYS  16          1HB       LYS  16 -24.690  -3.107  10.447
  116   1HG   LYS  16          2HG       LYS  16 -25.278  -0.773   9.724
  117   2HG   LYS  16          1HG       LYS  16 -24.880  -1.236   8.069
  118   1HD   LYS  16          2HD       LYS  16 -26.568  -3.075   8.230
  119   2HD   LYS  16          1HD       LYS  16 -27.018  -2.478   9.827
  120   1HE   LYS  16          2HE       LYS  16 -28.226  -0.769   8.959
  121   2HE   LYS  16          1HE       LYS  16 -26.969  -0.370   7.789
  122   1HZ   LYS  16          2HZ       LYS  16 -28.902  -2.611   7.539
  123   2HZ   LYS  16          1HZ       LYS  16 -28.998  -1.132   6.709
  124   3HZ   LYS  16          3HZ       LYS  16 -27.709  -2.191   6.404
  125    H    ASN  17           H        ASN  17 -22.610  -2.563  12.356
  126    HA   ASN  17           HA       ASN  17 -21.181  -3.964  13.589
  127   1HB   ASN  17          2HB       ASN  17 -21.716  -5.722  11.174
  128   2HB   ASN  17          1HB       ASN  17 -21.022  -6.283  12.695
  129   1HD2  ASN  17          1HD2      ASN  17 -23.534  -7.291  11.712
  130   2HD2  ASN  17          2HD2      ASN  17 -24.759  -6.779  12.770
  131    H    GLY  18           H        GLY  18 -19.939  -2.078  11.664
  132   1HA   GLY  18          1HA       GLY  18 -17.242  -3.153  11.766
  133   2HA   GLY  18          2HA       GLY  18 -17.709  -1.603  11.062
  134    H    LYS  19           H        LYS  19 -19.821  -3.327   9.537
  135    HA   LYS  19           HA       LYS  19 -17.940  -4.349   7.447
  136   1HB   LYS  19          2HB       LYS  19 -19.537  -5.990   8.603
  137   2HB   LYS  19          1HB       LYS  19 -20.839  -5.140   7.771
  138   1HG   LYS  19          2HG       LYS  19 -18.999  -5.568   5.749
  139   2HG   LYS  19          1HG       LYS  19 -18.870  -7.041   6.710
  140   1HD   LYS  19          2HD       LYS  19 -21.480  -7.007   6.668
  141   2HD   LYS  19          1HD       LYS  19 -21.279  -5.916   5.298
  142   1HE   LYS  19          2HE       LYS  19 -20.524  -7.575   3.931
  143   2HE   LYS  19          1HE       LYS  19 -19.576  -8.328   5.213
  144   1HZ   LYS  19          1HZ       LYS  19 -21.996  -8.849   6.103
  145   2HZ   LYS  19          3HZ       LYS  19 -22.354  -8.775   4.447
  146   3HZ   LYS  19          2HZ       LYS  19 -21.192  -9.877   5.014
  147    H    LEU  20           H        LEU  20 -18.446  -3.818   5.249
  148    HA   LEU  20           HA       LEU  20 -20.135  -1.377   5.005
  149   1HB   LEU  20          2HB       LEU  20 -17.612  -1.666   4.201
  150   2HB   LEU  20          1HB       LEU  20 -18.388  -2.370   2.782
  151    HG   LEU  20           HG       LEU  20 -18.967   0.377   3.938
  152   1HD1  LEU  20          3HD1      LEU  20 -17.045  -0.631   1.987
  153   2HD1  LEU  20          2HD1      LEU  20 -18.114   0.584   1.287
  154   3HD1  LEU  20          1HD1      LEU  20 -17.158   0.969   2.719
  155   1HD2  LEU  20          2HD2      LEU  20 -20.321  -1.344   1.944
  156   2HD2  LEU  20          1HD2      LEU  20 -20.968  -0.019   2.913
  157   3HD2  LEU  20          3HD2      LEU  20 -20.057   0.326   1.442
  158    H    PHE  21           H        PHE  21 -22.219  -2.093   4.601
  159    HA   PHE  21           HA       PHE  21 -22.692  -4.357   2.787
  160   1HB   PHE  21          2HB       PHE  21 -24.547  -2.460   4.252
  161   2HB   PHE  21          1HB       PHE  21 -25.119  -3.753   3.196
  162    HD1  PHE  21           HD1      PHE  21 -23.167  -3.026   6.276
  163    HD2  PHE  21           HD2      PHE  21 -25.109  -6.036   3.907
  164    HE1  PHE  21           HE1      PHE  21 -22.896  -4.655   8.126
  165    HE2  PHE  21           HE2      PHE  21 -24.837  -7.667   5.756
  166    HZ   PHE  21           HZ       PHE  21 -23.731  -6.976   7.865
  167    H    CYS  22           H        CYS  22 -21.342  -2.783   1.228
  168    HA   CYS  22           HA       CYS  22 -22.623  -0.580  -0.023
  169   1HB   CYS  22          2HB       CYS  22 -21.128  -1.248  -2.014
  170   2HB   CYS  22          1HB       CYS  22 -20.322  -0.873  -0.491
  171    HA   PRO  23           HA       PRO  23 -25.834  -3.048  -2.053
  172   1HB   PRO  23          2HB       PRO  23 -27.469  -0.967  -2.555
  173   2HB   PRO  23          1HB       PRO  23 -27.373  -1.744  -0.974
  174   1HG   PRO  23          2HG       PRO  23 -26.238   0.844  -1.889
  175   2HG   PRO  23          1HG       PRO  23 -26.844   0.388  -0.297
  176   1HD   PRO  23          1HD       PRO  23 -24.161   0.532  -1.016
  177   2HD   PRO  23          2HD       PRO  23 -24.796  -0.327   0.385
  178    H    GLN  24           H        GLN  24 -26.903  -2.801  -4.256
  179    HA   GLN  24           HA       GLN  24 -24.877  -1.965  -6.208
  180   1HB   GLN  24          2HB       GLN  24 -27.605  -3.252  -6.474
  181   2HB   GLN  24          1HB       GLN  24 -26.606  -2.824  -7.862
  182   1HG   GLN  24          2HG       GLN  24 -24.782  -4.243  -6.980
  183   2HG   GLN  24          1HG       GLN  24 -25.791  -4.678  -5.601
  184   1HE2  GLN  24          1HE2      GLN  24 -24.907  -6.749  -7.267
  185   2HE2  GLN  24          2HE2      GLN  24 -26.206  -7.347  -8.182
  186    H    ASP  25           H        ASP  25 -24.780   0.156  -6.772
  187    HA   ASP  25           HA       ASP  25 -27.173   1.861  -6.545
  188   1HB   ASP  25          2HB       ASP  25 -24.896   2.654  -5.845
  189   2HB   ASP  25          1HB       ASP  25 -24.398   2.579  -7.535
  190    H    LYS  26           H        LYS  26 -28.493   2.306  -8.246
  191    HA   LYS  26           HA       LYS  26 -28.252   1.049 -10.771
  192   1HB   LYS  26          2HB       LYS  26 -29.736   3.589 -10.028
  193   2HB   LYS  26          1HB       LYS  26 -29.969   2.693 -11.529
  194   1HG   LYS  26          2HG       LYS  26 -30.579   0.678 -10.186
  195   2HG   LYS  26          1HG       LYS  26 -30.447   1.651  -8.720
  196   1HD   LYS  26          2HD       LYS  26 -32.182   3.193  -9.626
  197   2HD   LYS  26          1HD       LYS  26 -32.351   2.141 -11.032
  198   1HE   LYS  26          2HE       LYS  26 -32.762   1.235  -8.167
  199   2HE   LYS  26          1HE       LYS  26 -34.068   1.706  -9.254
  200   1HZ   LYS  26          1HZ       LYS  26 -32.111  -0.463  -9.787
  201   2HZ   LYS  26          3HZ       LYS  26 -33.693  -0.700  -9.222
  202   3HZ   LYS  26          2HZ       LYS  26 -33.434  -0.037 -10.765
  203    H    LYS  27           H        LYS  27 -26.985   4.112  -9.605
  204    HA   LYS  27           HA       LYS  27 -26.007   4.782 -12.329
  205   1HB   LYS  27          2HB       LYS  27 -27.067   6.575 -10.976
  206   2HB   LYS  27          1HB       LYS  27 -25.822   6.360  -9.745
  207   1HG   LYS  27          2HG       LYS  27 -25.181   8.218 -11.176
  208   2HG   LYS  27          1HG       LYS  27 -24.092   6.867 -11.490
  209   1HD   LYS  27          2HD       LYS  27 -24.918   6.517 -13.599
  210   2HD   LYS  27          1HD       LYS  27 -26.561   6.969 -13.141
  211   1HE   LYS  27          2HE       LYS  27 -26.054   9.301 -13.257
  212   2HE   LYS  27          1HE       LYS  27 -24.319   8.991 -13.336
  213   1HZ   LYS  27          1HZ       LYS  27 -26.291   8.179 -15.402
  214   2HZ   LYS  27          3HZ       LYS  27 -25.271   9.529 -15.510
  215   3HZ   LYS  27          2HZ       LYS  27 -24.608   7.966 -15.481
  216    HA   PRO  28           HA       PRO  28 -22.194   2.721 -10.991
  217   1HB   PRO  28          2HB       PRO  28 -21.022   2.790 -13.424
  218   2HB   PRO  28          1HB       PRO  28 -22.235   1.588 -12.977
  219   1HG   PRO  28          2HG       PRO  28 -22.553   4.105 -14.567
  220   2HG   PRO  28          1HG       PRO  28 -23.243   2.507 -14.865
  221   1HD   PRO  28          1HD       PRO  28 -24.672   4.513 -13.739
  222   2HD   PRO  28          2HD       PRO  28 -24.948   2.818 -13.339
  223    H    ILE  29           H        ILE  29 -20.318   3.647 -10.256
  224    HA   ILE  29           HA       ILE  29 -19.679   6.394 -11.251
  225    HB   ILE  29           HB       ILE  29 -20.396   6.113  -8.807
  226   1HG1  ILE  29          2HG1      ILE  29 -17.811   7.362  -9.715
  227   2HG1  ILE  29          1HG1      ILE  29 -19.339   8.147  -9.328
  228   1HG2  ILE  29          2HG2      ILE  29 -17.680   4.761  -8.721
  229   2HG2  ILE  29          1HG2      ILE  29 -18.564   5.300  -7.293
  230   3HG2  ILE  29          3HG2      ILE  29 -19.233   4.030  -8.318
  231   1HD1  ILE  29          3HD1      ILE  29 -17.516   6.777  -7.333
  232   2HD1  ILE  29          2HD1      ILE  29 -17.644   8.520  -7.564
  233   3HD1  ILE  29          1HD1      ILE  29 -19.023   7.607  -6.950
  234    H    GLN  30           H        GLN  30 -17.380   6.905 -11.425
  235    HA   GLN  30           HA       GLN  30 -15.778   4.484 -12.077
  236   1HB   GLN  30          2HB       GLN  30 -15.364   7.407 -12.779
  237   2HB   GLN  30          1HB       GLN  30 -14.295   6.093 -13.272
  238   1HG   GLN  30          2HG       GLN  30 -16.236   4.995 -14.401
  239   2HG   GLN  30          1HG       GLN  30 -17.227   6.395 -13.990
  240   1HE2  GLN  30          1HE2      GLN  30 -16.598   5.562 -16.728
  241   2HE2  GLN  30          2HE2      GLN  30 -15.698   6.815 -17.435
  242    H    SER  31           H        SER  31 -14.566   3.801 -10.377
  243    HA   SER  31           HA       SER  31 -13.687   5.670  -8.299
  244   1HB   SER  31          2HB       SER  31 -13.207   3.801  -7.050
  245   2HB   SER  31          1HB       SER  31 -14.333   3.065  -8.192
  246    HG   SER  31           HG       SER  31 -12.450   2.587  -9.494
  247    H    LEU  32           H        LEU  32 -11.377   5.841  -7.689
  248    HA   LEU  32           HA       LEU  32  -9.670   5.954 -10.124
  249   1HB   LEU  32          2HB       LEU  32  -8.175   7.325  -8.525
  250   2HB   LEU  32          1HB       LEU  32  -9.697   8.060  -9.031
  251    HG   LEU  32           HG       LEU  32  -9.918   6.364  -6.630
  252   1HD1  LEU  32          1HD1      LEU  32  -7.624   7.506  -6.444
  253   2HD1  LEU  32          3HD1      LEU  32  -8.513   9.027  -6.359
  254   3HD1  LEU  32          2HD1      LEU  32  -8.756   7.793  -5.122
  255   1HD2  LEU  32          2HD2      LEU  32 -11.557   8.083  -7.774
  256   2HD2  LEU  32          1HD2      LEU  32 -11.493   7.970  -6.015
  257   3HD2  LEU  32          3HD2      LEU  32 -10.640   9.270  -6.846
  258    H    ASP  33           H        ASP  33 -10.201   4.047  -7.377
  259    HA   ASP  33           HA       ASP  33  -7.474   3.250  -6.828
  260   1HB   ASP  33          2HB       ASP  33  -9.339   2.940  -5.210
  261   2HB   ASP  33          1HB       ASP  33 -10.053   1.746  -6.294
  262    H    GLY  34           H        GLY  34  -9.410   2.744  -9.507
  263   1HA   GLY  34          1HA       GLY  34  -7.760   0.387 -10.286
  264   2HA   GLY  34          2HA       GLY  34  -8.518   1.508 -11.417
  265    H    ILE  35           H        ILE  35 -10.874   1.190  -9.262
  266    HA   ILE  35           HA       ILE  35 -11.967  -1.295 -10.524
  267    HB   ILE  35           HB       ILE  35 -12.778  -0.137  -7.847
  268   1HG1  ILE  35          2HG1      ILE  35 -11.050  -2.575  -8.192
  269   2HG1  ILE  35          1HG1      ILE  35 -10.318  -0.972  -8.124
  270   1HG2  ILE  35          2HG2      ILE  35 -13.218  -2.824  -9.182
  271   2HG2  ILE  35          1HG2      ILE  35 -13.708  -2.425  -7.535
  272   3HG2  ILE  35          3HG2      ILE  35 -14.443  -1.587  -8.901
  273   1HD1  ILE  35          3HD1      ILE  35 -12.204  -1.037  -6.029
  274   2HD1  ILE  35          2HD1      ILE  35 -11.365  -2.586  -5.960
  275   3HD1  ILE  35          1HD1      ILE  35 -10.448  -1.082  -5.877
  276    H    MET  36           H        MET  36 -14.398  -1.242 -10.735
  277    HA   MET  36           HA       MET  36 -15.254   1.508 -11.513
  278   1HB   MET  36          2HB       MET  36 -16.276  -1.218 -12.360
  279   2HB   MET  36          1HB       MET  36 -16.975   0.315 -12.883
  280   1HG   MET  36          2HG       MET  36 -14.709   0.961 -13.771
  281   2HG   MET  36          1HG       MET  36 -14.154  -0.671 -13.396
  282   1HE   MET  36          2HE       MET  36 -15.507  -2.558 -13.768
  283   2HE   MET  36          1HE       MET  36 -17.082  -2.508 -14.554
  284   3HE   MET  36          3HE       MET  36 -15.658  -3.049 -15.453
  285    H    PHE  37           H        PHE  37 -16.250   2.384  -9.734
  286    HA   PHE  37           HA       PHE  37 -17.929   2.717  -8.139
  287   1HB   PHE  37          2HB       PHE  37 -19.499   2.018  -9.885
  288   2HB   PHE  37          1HB       PHE  37 -19.192   0.325  -9.503
  289    HD1  PHE  37           HD1      PHE  37 -19.833  -0.589  -7.261
  290    HD2  PHE  37           HD2      PHE  37 -20.969   3.352  -8.536
  291    HE1  PHE  37           HE1      PHE  37 -21.550  -0.505  -5.474
  292    HE2  PHE  37           HE2      PHE  37 -22.686   3.436  -6.750
  293    HZ   PHE  37           HZ       PHE  37 -22.977   1.507  -5.218
  294    H    ILE  38           H        ILE  38 -17.574  -0.813  -8.531
  295    HA   ILE  38           HA       ILE  38 -18.039  -1.696  -5.975
  296    HB   ILE  38           HB       ILE  38 -15.702  -2.551  -7.711
  297   1HG1  ILE  38          2HG1      ILE  38 -17.742  -2.751  -8.967
  298   2HG1  ILE  38          1HG1      ILE  38 -17.354  -4.365  -8.371
  299   1HG2  ILE  38          3HG2      ILE  38 -16.019  -3.238  -5.137
  300   2HG2  ILE  38          2HG2      ILE  38 -17.138  -4.395  -5.857
  301   3HG2  ILE  38          1HG2      ILE  38 -15.442  -4.388  -6.343
  302   1HD1  ILE  38          1HD1      ILE  38 -18.894  -3.987  -6.447
  303   2HD1  ILE  38          3HD1      ILE  38 -19.329  -2.421  -7.134
  304   3HD1  ILE  38          2HD1      ILE  38 -19.728  -3.905  -7.999
  305    H    ASN  39           H        ASN  39 -15.313   0.242  -7.025
  306    HA   ASN  39           HA       ASN  39 -13.495  -0.157  -4.926
  307   1HB   ASN  39          2HB       ASN  39 -13.285   1.406  -6.967
  308   2HB   ASN  39          1HB       ASN  39 -14.140   2.595  -5.985
  309   1HD2  ASN  39          1HD2      ASN  39 -12.486   4.027  -5.342
  310   2HD2  ASN  39          2HD2      ASN  39 -11.053   3.544  -4.570
  311    H    LYS  40           H        LYS  40 -16.390   1.927  -4.979
  312    HA   LYS  40           HA       LYS  40 -16.139   3.319  -2.619
  313   1HB   LYS  40          2HB       LYS  40 -18.594   1.883  -3.660
  314   2HB   LYS  40          1HB       LYS  40 -18.627   3.066  -2.353
  315   1HG   LYS  40          2HG       LYS  40 -17.349   4.592  -4.056
  316   2HG   LYS  40          1HG       LYS  40 -18.008   3.487  -5.262
  317   1HD   LYS  40          2HD       LYS  40 -20.283   3.913  -4.430
  318   2HD   LYS  40          1HD       LYS  40 -19.638   4.986  -3.188
  319   1HE   LYS  40          2HE       LYS  40 -18.503   6.025  -5.461
  320   2HE   LYS  40          1HE       LYS  40 -20.069   5.481  -6.062
  321   1HZ   LYS  40          3HZ       LYS  40 -19.804   7.073  -3.583
  322   2HZ   LYS  40          2HZ       LYS  40 -19.961   7.803  -5.110
  323   3HZ   LYS  40          1HZ       LYS  40 -21.196   6.801  -4.513
  324    H    CYS  41           H        CYS  41 -17.030  -0.095  -2.949
  325    HA   CYS  41           HA       CYS  41 -17.393  -0.495  -0.098
  326   1HB   CYS  41          2HB       CYS  41 -18.092  -1.933  -2.302
  327   2HB   CYS  41          1HB       CYS  41 -16.665  -2.826  -1.776
  328    H    ALA  42           H        ALA  42 -14.716  -1.015  -2.381
  329    HA   ALA  42           HA       ALA  42 -13.005  -2.182  -0.319
  330   1HB   ALA  42          3HB       ALA  42 -12.860  -2.673  -2.810
  331   2HB   ALA  42          1HB       ALA  42 -11.328  -2.294  -2.022
  332   3HB   ALA  42          2HB       ALA  42 -12.145  -1.072  -2.996
  333    H    THR  43           H        THR  43 -13.692   1.021  -1.500
  334    HA   THR  43           HA       THR  43 -11.262   2.122  -0.210
  335    HB   THR  43           HB       THR  43 -13.252   4.020  -1.258
  336    HG1  THR  43           HG1      THR  43 -13.485   3.177  -3.154
  337   1HG2  THR  43          1HG2      THR  43 -10.479   3.855  -0.832
  338   2HG2  THR  43          3HG2      THR  43 -10.678   3.930  -2.583
  339   3HG2  THR  43          2HG2      THR  43 -11.359   5.197  -1.562
  340    H    CYS  44           H        CYS  44 -14.799   2.660  -0.081
  341    HA   CYS  44           HA       CYS  44 -14.815   4.296   2.222
  342   1HB   CYS  44          2HB       CYS  44 -16.795   3.907   0.779
  343   2HB   CYS  44          1HB       CYS  44 -16.900   2.255   1.386
  344    H    LYS  45           H        LYS  45 -14.844   0.742   1.949
  345    HA   LYS  45           HA       LYS  45 -15.278   0.109   4.666
  346   1HB   LYS  45          2HB       LYS  45 -15.055  -1.498   2.694
  347   2HB   LYS  45          1HB       LYS  45 -13.310  -1.357   2.896
  348   1HG   LYS  45          2HG       LYS  45 -13.535  -2.121   5.239
  349   2HG   LYS  45          1HG       LYS  45 -15.280  -2.271   5.016
  350   1HD   LYS  45          2HD       LYS  45 -14.902  -3.924   3.215
  351   2HD   LYS  45          1HD       LYS  45 -13.161  -3.782   3.453
  352   1HE   LYS  45          2HE       LYS  45 -13.579  -4.445   5.885
  353   2HE   LYS  45          1HE       LYS  45 -15.215  -4.874   5.387
  354   1HZ   LYS  45          2HZ       LYS  45 -13.145  -5.920   3.677
  355   2HZ   LYS  45          1HZ       LYS  45 -13.090  -6.520   5.265
  356   3HZ   LYS  45          3HZ       LYS  45 -14.501  -6.698   4.342
  357    H    MET  46           H        MET  46 -12.159   0.713   3.008
  358    HA   MET  46           HA       MET  46 -10.613   0.535   5.441
  359   1HB   MET  46          2HB       MET  46  -9.981   1.897   2.803
  360   2HB   MET  46          1HB       MET  46  -8.814   1.592   4.090
  361   1HG   MET  46          2HG       MET  46  -9.337  -0.853   3.909
  362   2HG   MET  46          1HG       MET  46 -10.366  -0.489   2.523
  363   1HE   MET  46          2HE       MET  46  -9.564   0.786   0.423
  364   2HE   MET  46          1HE       MET  46  -8.729   2.018   1.366
  365   3HE   MET  46          3HE       MET  46  -7.890   1.189   0.047
  366    H    ILE  47           H        ILE  47 -12.482   3.051   3.925
  367    HA   ILE  47           HA       ILE  47 -11.242   5.200   5.495
  368    HB   ILE  47           HB       ILE  47 -13.770   5.193   3.814
  369   1HG1  ILE  47          2HG1      ILE  47 -11.056   6.317   3.097
  370   2HG1  ILE  47          1HG1      ILE  47 -11.535   4.675   2.667
  371   1HG2  ILE  47          1HG2      ILE  47 -12.422   7.206   5.495
  372   2HG2  ILE  47          3HG2      ILE  47 -12.776   7.754   3.856
  373   3HG2  ILE  47          2HG2      ILE  47 -14.079   7.171   4.893
  374   1HD1  ILE  47          1HD1      ILE  47 -13.094   7.170   1.926
  375   2HD1  ILE  47          3HD1      ILE  47 -11.988   6.326   0.843
  376   3HD1  ILE  47          2HD1      ILE  47 -13.450   5.521   1.413
  377    H    LEU  48           H        LEU  48 -14.015   3.059   5.715
  378    HA   LEU  48           HA       LEU  48 -15.296   4.561   7.866
  379   1HB   LEU  48          2HB       LEU  48 -15.688   1.734   6.837
  380   2HB   LEU  48          1HB       LEU  48 -16.672   2.460   8.107
  381    HG   LEU  48           HG       LEU  48 -16.422   3.344   5.227
  382   1HD1  LEU  48          2HD1      LEU  48 -18.053   1.507   5.988
  383   2HD1  LEU  48          1HD1      LEU  48 -18.908   2.790   6.843
  384   3HD1  LEU  48          3HD1      LEU  48 -18.740   2.860   5.088
  385   1HD2  LEU  48          2HD2      LEU  48 -17.410   4.810   7.660
  386   2HD2  LEU  48          1HD2      LEU  48 -16.416   5.412   6.333
  387   3HD2  LEU  48          3HD2      LEU  48 -18.138   5.122   6.084
  388    H    GLU  49           H        GLU  49 -12.868   2.064   7.601
  389    HA   GLU  49           HA       GLU  49 -13.019   1.224  10.381
  390   1HB   GLU  49          2HB       GLU  49 -10.869   0.895   8.268
  391   2HB   GLU  49          1HB       GLU  49 -10.790   0.167   9.873
  392   1HG   GLU  49          2HG       GLU  49 -12.919  -1.015   9.435
  393   2HG   GLU  49          1HG       GLU  49 -12.980  -0.298   7.824
  394    H    LYS  50           H        LYS  50 -11.155   3.605   8.547
  395    HA   LYS  50           HA       LYS  50  -9.195   4.273  10.455
  396   1HB   LYS  50          2HB       LYS  50  -9.353   5.221   8.139
  397   2HB   LYS  50          1HB       LYS  50 -10.694   6.228   8.684
  398   1HG   LYS  50          2HG       LYS  50  -9.213   7.233  10.406
  399   2HG   LYS  50          1HG       LYS  50  -7.873   6.257   9.803
  400   1HD   LYS  50          2HD       LYS  50  -8.194   7.318   7.551
  401   2HD   LYS  50          1HD       LYS  50  -9.406   8.379   8.271
  402   1HE   LYS  50          2HE       LYS  50  -7.445   9.670   8.395
  403   2HE   LYS  50          1HE       LYS  50  -7.535   8.944   9.999
  404   1HZ   LYS  50          3HZ       LYS  50  -6.099   7.543   7.851
  405   2HZ   LYS  50          2HZ       LYS  50  -5.341   8.832   8.656
  406   3HZ   LYS  50          1HZ       LYS  50  -5.859   7.470   9.528
  407    H    GLU  51           H        GLU  51 -12.588   5.293  10.252
  408    HA   GLU  51           HA       GLU  51 -12.497   7.225  12.357
  409   1HB   GLU  51          2HB       GLU  51 -14.777   5.458  11.416
  410   2HB   GLU  51          1HB       GLU  51 -14.960   6.831  12.508
  411   1HG   GLU  51          2HG       GLU  51 -13.988   8.315  10.765
  412   2HG   GLU  51          1HG       GLU  51 -13.886   6.934   9.672
  413    H    ALA  52           H        ALA  52 -12.763   3.716  12.365
  414    HA   ALA  52           HA       ALA  52 -13.611   3.400  15.081
  415   1HB   ALA  52          2HB       ALA  52 -13.745   1.470  13.707
  416   2HB   ALA  52          3HB       ALA  52 -12.427   1.124  14.827
  417   3HB   ALA  52          1HB       ALA  52 -12.072   1.633  13.176
  418    H    LYS  53           H        LYS  53 -10.514   4.145  13.645
  419    HA   LYS  53           HA       LYS  53  -8.819   3.382  15.809
  420   1HB   LYS  53          2HB       LYS  53  -8.533   5.637  13.800
  421   2HB   LYS  53          1HB       LYS  53  -7.247   5.089  14.875
  422   1HG   LYS  53          2HG       LYS  53  -7.467   2.798  13.896
  423   2HG   LYS  53          1HG       LYS  53  -8.654   3.435  12.756
  424   1HD   LYS  53          2HD       LYS  53  -6.932   5.076  11.966
  425   2HD   LYS  53          1HD       LYS  53  -5.755   4.288  13.016
  426   1HE   LYS  53          2HE       LYS  53  -7.341   2.681  11.022
  427   2HE   LYS  53          1HE       LYS  53  -5.885   3.542  10.522
  428   1HZ   LYS  53          1HZ       LYS  53  -5.447   2.136  12.945
  429   2HZ   LYS  53          3HZ       LYS  53  -6.019   1.079  11.750
  430   3HZ   LYS  53          2HZ       LYS  53  -4.624   2.005  11.465
  431    H    SER  54           H        SER  54 -10.851   6.211  15.292
  432    HA   SER  54           HA       SER  54  -9.764   7.891  17.318
  433   1HB   SER  54          2HB       SER  54 -12.672   7.667  16.484
  434   2HB   SER  54          1HB       SER  54 -11.908   9.051  17.266
  435    HG   SER  54           HG       SER  54 -12.060   9.306  14.997
  436    H    GLN  55           H        GLN  55 -11.834   5.076  17.495
  437    HA   GLN  55           HA       GLN  55 -12.865   5.498  20.136
  438   1HB   GLN  55          2HB       GLN  55 -12.309   2.941  18.602
  439   2HB   GLN  55          1HB       GLN  55 -13.187   3.006  20.130
  440   1HG   GLN  55          2HG       GLN  55 -14.865   4.494  19.118
  441   2HG   GLN  55          1HG       GLN  55 -13.977   4.475  17.594
  442   1HE2  GLN  55          1HE2      GLN  55 -16.669   3.538  17.706
  443   2HE2  GLN  55          2HE2      GLN  55 -16.673   1.860  17.453

  No H/Q in entry =         443
  Start of MODEL    2
    1    H1   LYS   1          2H        LYS   1  11.347 -21.261  -5.743
    2    H2   LYS   1          1H        LYS   1  10.677 -21.201  -7.303
    3    H3   LYS   1          3H        LYS   1  12.359 -21.294  -7.107
    4    HA   LYS   1           HA       LYS   1  12.432 -19.113  -6.131
    5   1HB   LYS   1          2HB       LYS   1  10.816 -19.247  -8.696
    6   2HB   LYS   1          1HB       LYS   1  11.652 -17.810  -8.108
    7   1HG   LYS   1          2HG       LYS   1  13.794 -19.102  -8.137
    8   2HG   LYS   1          1HG       LYS   1  12.926 -20.460  -8.852
    9   1HD   LYS   1          2HD       LYS   1  12.244 -18.975 -10.742
   10   2HD   LYS   1          1HD       LYS   1  13.229 -17.688 -10.045
   11   1HE   LYS   1          2HE       LYS   1  14.787 -20.106 -10.201
   12   2HE   LYS   1          1HE       LYS   1  14.080 -19.762 -11.780
   13   1HZ   LYS   1          3HZ       LYS   1  15.516 -17.745 -10.147
   14   2HZ   LYS   1          2HZ       LYS   1  16.258 -18.672 -11.363
   15   3HZ   LYS   1          1HZ       LYS   1  15.007 -17.591 -11.757
   16    H    ASN   2           H        ASN   2   9.139 -20.204  -6.888
   17    HA   ASN   2           HA       ASN   2   7.727 -17.915  -5.993
   18   1HB   ASN   2          2HB       ASN   2   6.775 -19.982  -7.149
   19   2HB   ASN   2          1HB       ASN   2   6.809 -20.768  -5.571
   20   1HD2  ASN   2          1HD2      ASN   2   4.342 -20.790  -5.924
   21   2HD2  ASN   2          2HD2      ASN   2   3.470 -19.408  -5.465
   22    H    GLU   3           H        GLU   3   9.159 -20.595  -4.190
   23    HA   GLU   3           HA       GLU   3   7.949 -19.983  -1.659
   24   1HB   GLU   3          2HB       GLU   3  10.586 -21.336  -2.309
   25   2HB   GLU   3          1HB       GLU   3   9.843 -21.307  -0.710
   26   1HG   GLU   3          2HG       GLU   3   7.827 -22.417  -1.653
   27   2HG   GLU   3          1HG       GLU   3   8.627 -22.496  -3.223
   28    H    ASP   4           H        ASP   4  10.761 -18.713  -3.353
   29    HA   ASP   4           HA       ASP   4  11.996 -17.382  -1.151
   30   1HB   ASP   4          2HB       ASP   4  11.922 -16.540  -4.065
   31   2HB   ASP   4          1HB       ASP   4  13.073 -15.971  -2.856
   32    H    GLN   5           H        GLN   5   9.168 -16.617  -3.055
   33    HA   GLN   5           HA       GLN   5   9.019 -13.818  -2.398
   34   1HB   GLN   5          2HB       GLN   5   7.705 -14.840  -4.233
   35   2HB   GLN   5          1HB       GLN   5   6.778 -15.760  -3.048
   36   1HG   GLN   5          2HG       GLN   5   6.013 -13.645  -2.015
   37   2HG   GLN   5          1HG       GLN   5   6.926 -12.733  -3.218
   38   1HE2  GLN   5          1HE2      GLN   5   4.334 -12.100  -3.352
   39   2HE2  GLN   5          2HE2      GLN   5   3.521 -12.906  -4.605
   40    H    GLU   6           H        GLU   6   8.315 -16.720  -0.630
   41    HA   GLU   6           HA       GLU   6   6.522 -15.474   1.296
   42   1HB   GLU   6          2HB       GLU   6   8.108 -18.057   1.374
   43   2HB   GLU   6          1HB       GLU   6   6.953 -17.570   2.615
   44   1HG   GLU   6          2HG       GLU   6   5.177 -17.444   0.883
   45   2HG   GLU   6          1HG       GLU   6   6.338 -17.993  -0.326
   46    H    MET   7           H        MET   7   9.992 -15.924   0.993
   47    HA   MET   7           HA       MET   7  10.688 -15.366   3.718
   48   1HB   MET   7          2HB       MET   7  12.230 -14.907   1.147
   49   2HB   MET   7          1HB       MET   7  12.923 -14.754   2.761
   50   1HG   MET   7          2HG       MET   7  11.703 -17.257   1.561
   51   2HG   MET   7          1HG       MET   7  13.415 -16.975   1.877
   52   1HE   MET   7          2HE       MET   7  14.294 -16.213   4.056
   53   2HE   MET   7          1HE       MET   7  12.994 -15.294   4.810
   54   3HE   MET   7          3HE       MET   7  13.697 -16.686   5.645
   55    H    CYS   8           H        CYS   8   9.855 -13.316   0.993
   56    HA   CYS   8           HA       CYS   8  10.858 -10.865   2.111
   57   1HB   CYS   8          2HB       CYS   8  10.280 -11.123  -0.288
   58   2HB   CYS   8          1HB       CYS   8   8.579 -11.268   0.153
   59    H    HIS   9           H        HIS   9   7.712 -12.505   2.295
   60    HA   HIS   9           HA       HIS   9   6.128 -10.584   3.512
   61   1HB   HIS   9          2HB       HIS   9   5.079 -12.664   3.193
   62   2HB   HIS   9          1HB       HIS   9   6.391 -13.551   3.964
   63    HD1  HIS   9           HD1      HIS   9   6.667 -12.869   6.662
   64    HD2  HIS   9           HD2      HIS   9   2.933 -12.315   4.895
   65    HE1  HIS   9           HE1      HIS   9   4.997 -12.716   8.555
   66    H    GLU  10           H        GLU  10   8.621 -12.588   5.076
   67    HA   GLU  10           HA       GLU  10   8.245 -11.565   7.718
   68   1HB   GLU  10          2HB       GLU  10  10.658 -12.770   6.339
   69   2HB   GLU  10          1HB       GLU  10  10.636 -12.352   8.053
   70   1HG   GLU  10          2HG       GLU  10   8.582 -13.804   8.291
   71   2HG   GLU  10          1HG       GLU  10   8.838 -14.334   6.629
   72    H    PHE  11           H        PHE  11  10.080 -10.351   4.944
   73    HA   PHE  11           HA       PHE  11  11.323  -8.254   6.594
   74   1HB   PHE  11          2HB       PHE  11  11.719  -9.341   3.907
   75   2HB   PHE  11          1HB       PHE  11  11.740  -7.580   3.918
   76    HD1  PHE  11           HD1      PHE  11  12.799  -7.226   6.776
   77    HD2  PHE  11           HD2      PHE  11  14.064  -9.743   3.524
   78    HE1  PHE  11           HE1      PHE  11  15.094  -7.277   7.702
   79    HE2  PHE  11           HE2      PHE  11  16.354  -9.789   4.458
   80    HZ   PHE  11           HZ       PHE  11  16.871  -8.560   6.547
   81    H    GLN  12           H        GLN  12   8.442  -8.722   4.805
   82    HA   GLN  12           HA       GLN  12   7.916  -6.046   3.946
   83   1HB   GLN  12          2HB       GLN  12   6.580  -7.986   3.196
   84   2HB   GLN  12          1HB       GLN  12   5.953  -8.185   4.833
   85   1HG   GLN  12          2HG       GLN  12   5.022  -5.869   4.712
   86   2HG   GLN  12          1HG       GLN  12   5.563  -5.771   3.036
   87   1HE2  GLN  12          1HE2      GLN  12   4.030  -6.425   1.519
   88   2HE2  GLN  12          2HE2      GLN  12   2.717  -7.451   1.840
   89    H    ALA  13           H        ALA  13   7.549  -7.661   7.056
   90    HA   ALA  13           HA       ALA  13   6.008  -5.513   8.266
   91   1HB   ALA  13          3HB       ALA  13   7.647  -7.235  10.029
   92   2HB   ALA  13          1HB       ALA  13   6.524  -8.097   8.978
   93   3HB   ALA  13          2HB       ALA  13   5.922  -6.874  10.096
   94    H    PHE  14           H        PHE  14   9.402  -6.213   7.794
   95    HA   PHE  14           HA       PHE  14  10.263  -4.147   9.704
   96   1HB   PHE  14          2HB       PHE  14  11.777  -5.854   7.707
   97   2HB   PHE  14          1HB       PHE  14  12.546  -4.687   8.784
   98    HD1  PHE  14           HD1      PHE  14  12.258  -4.955  11.293
   99    HD2  PHE  14           HD2      PHE  14  11.136  -8.006   8.485
  100    HE1  PHE  14           HE1      PHE  14  12.247  -6.632  13.120
  101    HE2  PHE  14           HE2      PHE  14  11.125  -9.683  10.311
  102    HZ   PHE  14           HZ       PHE  14  11.681  -8.996  12.629
  103    H    MET  15           H        MET  15   8.921  -4.047   6.687
  104    HA   MET  15           HA       MET  15  10.661  -2.030   5.481
  105   1HB   MET  15          2HB       MET  15   9.073  -3.718   4.285
  106   2HB   MET  15          1HB       MET  15   7.808  -2.549   4.663
  107   1HG   MET  15          2HG       MET  15  10.382  -1.796   3.256
  108   2HG   MET  15          1HG       MET  15   8.911  -2.246   2.393
  109   1HE   MET  15          2HE       MET  15   6.785  -1.597   3.245
  110   2HE   MET  15          1HE       MET  15   6.501  -0.391   4.498
  111   3HE   MET  15          3HE       MET  15   6.391   0.059   2.791
  112    H    LYS  16           H        LYS  16  10.515   0.146   5.807
  113    HA   LYS  16           HA       LYS  16   7.990   1.245   6.943
  114   1HB   LYS  16          2HB       LYS  16  10.757   1.828   8.041
  115   2HB   LYS  16          1HB       LYS  16   9.247   2.542   8.606
  116   1HG   LYS  16          2HG       LYS  16   8.433   0.207   9.119
  117   2HG   LYS  16          1HG       LYS  16  10.057  -0.375   8.751
  118   1HD   LYS  16          2HD       LYS  16  10.991   1.054  10.515
  119   2HD   LYS  16          1HD       LYS  16   9.387   1.702  10.859
  120   1HE   LYS  16          2HE       LYS  16   8.611  -0.364  11.714
  121   2HE   LYS  16          1HE       LYS  16   9.937  -1.264  10.977
  122   1HZ   LYS  16          1HZ       LYS  16  10.729   0.824  12.821
  123   2HZ   LYS  16          3HZ       LYS  16   9.902  -0.477  13.527
  124   3HZ   LYS  16          2HZ       LYS  16  11.326  -0.756  12.644
  125    H    ASN  17           H        ASN  17   7.658   3.473   6.436
  126    HA   ASN  17           HA       ASN  17   7.727   5.261   4.905
  127   1HB   ASN  17          2HB       ASN  17  10.701   5.035   5.452
  128   2HB   ASN  17          1HB       ASN  17   9.836   6.472   4.910
  129   1HD2  ASN  17          1HD2      ASN  17   7.532   6.253   6.628
  130   2HD2  ASN  17          2HD2      ASN  17   8.044   6.490   8.229
  131    H    GLY  18           H        GLY  18   7.958   2.536   3.762
  132   1HA   GLY  18          1HA       GLY  18   8.723   3.312   1.074
  133   2HA   GLY  18          2HA       GLY  18   8.218   1.697   1.575
  134    H    LYS  19           H        LYS  19  10.334   1.845   3.760
  135    HA   LYS  19           HA       LYS  19  12.680   1.234   2.006
  136   1HB   LYS  19          2HB       LYS  19  12.848   3.337   3.463
  137   2HB   LYS  19          1HB       LYS  19  12.855   2.249   4.850
  138   1HG   LYS  19          2HG       LYS  19  14.724   1.110   3.143
  139   2HG   LYS  19          1HG       LYS  19  14.994   2.841   2.938
  140   1HD   LYS  19          2HD       LYS  19  14.889   2.926   5.542
  141   2HD   LYS  19          1HD       LYS  19  15.177   1.189   5.450
  142   1HE   LYS  19          2HE       LYS  19  16.920   3.276   4.108
  143   2HE   LYS  19          1HE       LYS  19  17.284   2.537   5.667
  144   1HZ   LYS  19          3HZ       LYS  19  17.165   0.351   4.530
  145   2HZ   LYS  19          2HZ       LYS  19  17.035   1.169   3.046
  146   3HZ   LYS  19          1HZ       LYS  19  18.438   1.334   3.991
  147    H    LEU  20           H        LEU  20  13.802  -0.675   2.516
  148    HA   LEU  20           HA       LEU  20  12.367  -2.498   4.362
  149   1HB   LEU  20          2HB       LEU  20  12.850  -3.450   2.198
  150   2HB   LEU  20          1HB       LEU  20  14.539  -2.954   2.295
  151    HG   LEU  20           HG       LEU  20  14.734  -4.426   4.361
  152   1HD1  LEU  20          2HD1      LEU  20  12.086  -4.453   4.439
  153   2HD1  LEU  20          1HD1      LEU  20  12.291  -5.845   3.374
  154   3HD1  LEU  20          3HD1      LEU  20  13.014  -5.850   4.984
  155   1HD2  LEU  20          1HD2      LEU  20  14.058  -5.605   1.659
  156   2HD2  LEU  20          3HD2      LEU  20  15.658  -5.257   2.314
  157   3HD2  LEU  20          2HD2      LEU  20  14.695  -6.573   2.988
  158    H    PHE  21           H        PHE  21  13.104  -2.688   6.419
  159    HA   PHE  21           HA       PHE  21  15.811  -1.723   7.081
  160   1HB   PHE  21          2HB       PHE  21  13.458  -2.662   8.727
  161   2HB   PHE  21          1HB       PHE  21  15.039  -2.363   9.450
  162    HD1  PHE  21           HD1      PHE  21  12.920  -0.654   6.859
  163    HD2  PHE  21           HD2      PHE  21  15.184  -0.288  10.490
  164    HE1  PHE  21           HE1      PHE  21  12.431   1.776   6.918
  165    HE2  PHE  21           HE2      PHE  21  14.696   2.143  10.550
  166    HZ   PHE  21           HZ       PHE  21  13.319   3.175   8.763
  167    H    CYS  22           H        CYS  22  17.491  -3.115   6.968
  168    HA   CYS  22           HA       CYS  22  16.940  -6.032   7.231
  169   1HB   CYS  22          2HB       CYS  22  18.395  -4.628   5.339
  170   2HB   CYS  22          1HB       CYS  22  19.645  -5.244   6.420
  171    HA   PRO  23           HA       PRO  23  19.058  -4.773  11.231
  172   1HB   PRO  23          2HB       PRO  23  17.409  -6.179  12.844
  173   2HB   PRO  23          1HB       PRO  23  17.065  -4.525  12.330
  174   1HG   PRO  23          2HG       PRO  23  16.000  -7.107  11.249
  175   2HG   PRO  23          1HG       PRO  23  15.137  -5.603  11.584
  176   1HD   PRO  23          1HD       PRO  23  15.899  -6.298   9.084
  177   2HD   PRO  23          2HD       PRO  23  15.829  -4.617   9.611
  178    H    GLN  24           H        GLN  24  20.166  -6.245  12.748
  179    HA   GLN  24           HA       GLN  24  21.120  -8.646  11.414
  180   1HB   GLN  24          2HB       GLN  24  22.511  -7.163  12.925
  181   2HB   GLN  24          1HB       GLN  24  21.601  -7.816  14.287
  182   1HG   GLN  24          2HG       GLN  24  22.338 -10.080  13.740
  183   2HG   GLN  24          1HG       GLN  24  23.163  -9.491  12.297
  184   1HE2  GLN  24          1HE2      GLN  24  24.783 -10.812  14.079
  185   2HE2  GLN  24          2HE2      GLN  24  25.754  -9.723  14.946
  186    H    ASP  25           H        ASP  25  20.101 -10.585  11.493
  187    HA   ASP  25           HA       ASP  25  18.033 -11.035  13.564
  188   1HB   ASP  25          2HB       ASP  25  17.494 -11.548  11.204
  189   2HB   ASP  25          1HB       ASP  25  18.817 -12.713  11.160
  190    H    LYS  26           H        LYS  26  18.539 -12.151  15.382
  191    HA   LYS  26           HA       LYS  26  21.077 -13.203  15.982
  192   1HB   LYS  26          2HB       LYS  26  19.224 -12.746  17.631
  193   2HB   LYS  26          1HB       LYS  26  18.456 -14.241  17.095
  194   1HG   LYS  26          2HG       LYS  26  20.465 -15.514  17.742
  195   2HG   LYS  26          1HG       LYS  26  21.249 -14.022  18.261
  196   1HD   LYS  26          2HD       LYS  26  19.388 -13.667  19.895
  197   2HD   LYS  26          1HD       LYS  26  18.724 -15.233  19.429
  198   1HE   LYS  26          2HE       LYS  26  20.070 -16.166  20.980
  199   2HE   LYS  26          1HE       LYS  26  21.439 -15.723  19.960
  200   1HZ   LYS  26          3HZ       LYS  26  21.059 -13.415  21.118
  201   2HZ   LYS  26          2HZ       LYS  26  20.374 -14.385  22.334
  202   3HZ   LYS  26          1HZ       LYS  26  21.987 -14.627  21.858
  203    H    LYS  27           H        LYS  27  18.299 -14.766  14.460
  204    HA   LYS  27           HA       LYS  27  19.906 -17.265  14.190
  205   1HB   LYS  27          2HB       LYS  27  16.964 -16.657  14.129
  206   2HB   LYS  27          1HB       LYS  27  17.571 -18.094  13.306
  207   1HG   LYS  27          2HG       LYS  27  18.476 -18.988  15.328
  208   2HG   LYS  27          1HG       LYS  27  18.278 -17.455  16.177
  209   1HD   LYS  27          2HD       LYS  27  15.963 -17.714  16.375
  210   2HD   LYS  27          1HD       LYS  27  15.871 -18.826  15.009
  211   1HE   LYS  27          2HE       LYS  27  16.618 -20.642  16.267
  212   2HE   LYS  27          1HE       LYS  27  17.439 -19.618  17.445
  213   1HZ   LYS  27          3HZ       LYS  27  14.496 -19.623  17.133
  214   2HZ   LYS  27          2HZ       LYS  27  15.296 -20.691  18.184
  215   3HZ   LYS  27          1HZ       LYS  27  15.412 -19.012  18.423
  216    HA   PRO  28           HA       PRO  28  20.510 -15.559  10.003
  217   1HB   PRO  28          2HB       PRO  28  22.561 -17.207   9.389
  218   2HB   PRO  28          1HB       PRO  28  22.764 -15.737  10.345
  219   1HG   PRO  28          2HG       PRO  28  22.542 -18.580  11.258
  220   2HG   PRO  28          1HG       PRO  28  23.634 -17.313  11.824
  221   1HD   PRO  28          1HD       PRO  28  21.398 -18.008  13.183
  222   2HD   PRO  28          2HD       PRO  28  22.033 -16.363  13.189
  223    H    ILE  29           H        ILE  29  19.695 -16.312   8.064
  224    HA   ILE  29           HA       ILE  29  18.823 -19.172   8.016
  225    HB   ILE  29           HB       ILE  29  17.052 -17.328   7.923
  226   1HG1  ILE  29          2HG1      ILE  29  17.374 -19.448   5.799
  227   2HG1  ILE  29          1HG1      ILE  29  16.371 -19.494   7.246
  228   1HG2  ILE  29          1HG2      ILE  29  18.318 -15.796   6.452
  229   2HG2  ILE  29          3HG2      ILE  29  18.250 -16.988   5.153
  230   3HG2  ILE  29          2HG2      ILE  29  16.768 -16.226   5.729
  231   1HD1  ILE  29          3HD1      ILE  29  15.492 -17.240   5.829
  232   2HD1  ILE  29          2HD1      ILE  29  15.739 -18.481   4.600
  233   3HD1  ILE  29          1HD1      ILE  29  14.660 -18.789   5.960
  234    H    GLN  30           H        GLN  30  18.996 -20.275   5.933
  235    HA   GLN  30           HA       GLN  30  21.336 -19.298   4.381
  236   1HB   GLN  30          2HB       GLN  30  19.963 -21.997   4.520
  237   2HB   GLN  30          1HB       GLN  30  21.282 -21.630   3.409
  238   1HG   GLN  30          2HG       GLN  30  22.696 -20.991   5.370
  239   2HG   GLN  30          1HG       GLN  30  21.388 -21.497   6.438
  240   1HE2  GLN  30          1HE2      GLN  30  23.935 -22.798   6.525
  241   2HE2  GLN  30          2HE2      GLN  30  23.750 -24.385   5.951
  242    H    SER  31           H        SER  31  20.772 -18.060   2.659
  243    HA   SER  31           HA       SER  31  18.142 -18.305   1.410
  244   1HB   SER  31          2HB       SER  31  18.713 -16.376   0.200
  245   2HB   SER  31          1HB       SER  31  19.600 -16.166   1.712
  246    HG   SER  31           HG       SER  31  21.229 -15.962   0.399
  247    H    LEU  32           H        LEU  32  18.164 -18.353  -1.125
  248    HA   LEU  32           HA       LEU  32  19.877 -20.664  -1.934
  249   1HB   LEU  32          2HB       LEU  32  18.062 -20.917  -3.742
  250   2HB   LEU  32          1HB       LEU  32  17.597 -21.317  -2.088
  251    HG   LEU  32           HG       LEU  32  17.244 -18.476  -2.843
  252   1HD1  LEU  32          3HD1      LEU  32  16.288 -20.548  -4.582
  253   2HD1  LEU  32          2HD1      LEU  32  14.908 -19.822  -3.759
  254   3HD1  LEU  32          1HD1      LEU  32  16.009 -18.810  -4.694
  255   1HD2  LEU  32          1HD2      LEU  32  16.542 -19.753  -0.692
  256   2HD2  LEU  32          3HD2      LEU  32  15.373 -18.647  -1.415
  257   3HD2  LEU  32          2HD2      LEU  32  15.222 -20.385  -1.676
  258    H    ASP  33           H        ASP  33  19.540 -17.357  -2.341
  259    HA   ASP  33           HA       ASP  33  20.218 -17.244  -5.188
  260   1HB   ASP  33          2HB       ASP  33  20.101 -15.161  -2.995
  261   2HB   ASP  33          1HB       ASP  33  20.590 -14.785  -4.647
  262    H    GLY  34           H        GLY  34  21.954 -18.317  -2.672
  263   1HA   GLY  34          1HA       GLY  34  24.505 -17.513  -3.944
  264   2HA   GLY  34          2HA       GLY  34  24.303 -18.822  -2.779
  265    H    ILE  35           H        ILE  35  22.550 -16.450  -1.438
  266    HA   ILE  35           HA       ILE  35  24.901 -15.179  -0.094
  267    HB   ILE  35           HB       ILE  35  22.040 -14.179  -0.206
  268   1HG1  ILE  35          2HG1      ILE  35  24.399 -13.050  -1.715
  269   2HG1  ILE  35          1HG1      ILE  35  23.350 -14.278  -2.424
  270   1HG2  ILE  35          2HG2      ILE  35  24.638 -13.100   0.878
  271   2HG2  ILE  35          1HG2      ILE  35  23.328 -12.013   0.417
  272   3HG2  ILE  35          3HG2      ILE  35  23.072 -13.215   1.682
  273   1HD1  ILE  35          2HD1      ILE  35  22.202 -11.773  -1.193
  274   2HD1  ILE  35          1HD1      ILE  35  22.764 -11.789  -2.865
  275   3HD1  ILE  35          3HD1      ILE  35  21.458 -12.863  -2.364
  276    H    MET  36           H        MET  36  24.350 -14.578   2.280
  277    HA   MET  36           HA       MET  36  22.916 -16.898   3.506
  278   1HB   MET  36          2HB       MET  36  25.246 -15.235   4.495
  279   2HB   MET  36          1HB       MET  36  24.365 -16.366   5.523
  280   1HG   MET  36          2HG       MET  36  24.866 -18.177   3.864
  281   2HG   MET  36          1HG       MET  36  25.861 -17.028   2.969
  282   1HE   MET  36          2HE       MET  36  24.910 -18.584   6.045
  283   2HE   MET  36          1HE       MET  36  26.373 -19.379   6.621
  284   3HE   MET  36          3HE       MET  36  25.922 -17.787   7.247
  285    H    PHE  37           H        PHE  37  20.885 -16.143   3.971
  286    HA   PHE  37           HA       PHE  37  19.228 -14.912   5.075
  287   1HB   PHE  37          2HB       PHE  37  20.659 -15.068   7.051
  288   2HB   PHE  37          1HB       PHE  37  21.611 -13.694   6.494
  289    HD1  PHE  37           HD1      PHE  37  20.641 -11.422   6.436
  290    HD2  PHE  37           HD2      PHE  37  18.454 -14.767   8.009
  291    HE1  PHE  37           HE1      PHE  37  19.037  -9.866   7.511
  292    HE2  PHE  37           HE2      PHE  37  16.849 -13.211   9.084
  293    HZ   PHE  37           HZ       PHE  37  17.140 -10.761   8.835
  294    H    ILE  38           H        ILE  38  21.980 -12.698   4.523
  295    HA   ILE  38           HA       ILE  38  20.673 -10.320   4.080
  296    HB   ILE  38           HB       ILE  38  22.898 -11.443   2.351
  297   1HG1  ILE  38          2HG1      ILE  38  22.990  -9.702   4.834
  298   2HG1  ILE  38          1HG1      ILE  38  23.381 -11.421   4.792
  299   1HG2  ILE  38          3HG2      ILE  38  21.405  -8.986   2.222
  300   2HG2  ILE  38          2HG2      ILE  38  23.068  -8.630   2.692
  301   3HG2  ILE  38          1HG2      ILE  38  22.742  -9.514   1.201
  302   1HD1  ILE  38          1HD1      ILE  38  25.110 -10.856   3.007
  303   2HD1  ILE  38          3HD1      ILE  38  24.832  -9.158   3.397
  304   3HD1  ILE  38          2HD1      ILE  38  25.469 -10.253   4.625
  305    H    ASN  39           H        ASN  39  20.556 -13.155   2.029
  306    HA   ASN  39           HA       ASN  39  19.614 -11.996  -0.374
  307   1HB   ASN  39          2HB       ASN  39  20.213 -14.440   0.057
  308   2HB   ASN  39          1HB       ASN  39  18.603 -14.610   0.755
  309   1HD2  ASN  39          1HD2      ASN  39  17.336 -15.626  -0.820
  310   2HD2  ASN  39          2HD2      ASN  39  17.278 -15.174  -2.455
  311    H    LYS  40           H        LYS  40  17.785 -13.024   2.523
  312    HA   LYS  40           HA       LYS  40  15.178 -12.676   1.676
  313   1HB   LYS  40          2HB       LYS  40  16.364 -11.683   4.285
  314   2HB   LYS  40          1HB       LYS  40  14.642 -11.908   3.979
  315   1HG   LYS  40          2HG       LYS  40  15.117 -14.318   3.451
  316   2HG   LYS  40          1HG       LYS  40  16.785 -14.052   3.958
  317   1HD   LYS  40          2HD       LYS  40  15.353 -14.995   5.781
  318   2HD   LYS  40          1HD       LYS  40  16.050 -13.429   6.197
  319   1HE   LYS  40          2HE       LYS  40  13.467 -13.223   4.813
  320   2HE   LYS  40          1HE       LYS  40  13.366 -14.067   6.358
  321   1HZ   LYS  40          3HZ       LYS  40  15.020 -11.718   6.438
  322   2HZ   LYS  40          2HZ       LYS  40  13.402 -11.382   6.041
  323   3HZ   LYS  40          1HZ       LYS  40  13.774 -12.202   7.482
  324    H    CYS  41           H        CYS  41  17.478 -10.130   2.549
  325    HA   CYS  41           HA       CYS  41  15.585  -7.975   2.046
  326   1HB   CYS  41          2HB       CYS  41  18.459  -8.224   2.749
  327   2HB   CYS  41          1HB       CYS  41  18.015  -6.788   1.833
  328    H    ALA  42           H        ALA  42  18.290  -9.459   0.273
  329    HA   ALA  42           HA       ALA  42  18.080  -7.766  -2.040
  330   1HB   ALA  42          1HB       ALA  42  19.772  -9.829  -1.173
  331   2HB   ALA  42          3HB       ALA  42  19.033 -10.440  -2.653
  332   3HB   ALA  42          2HB       ALA  42  19.915  -8.913  -2.673
  333    H    THR  43           H        THR  43  16.272 -10.523  -0.940
  334    HA   THR  43           HA       THR  43  15.038 -10.842  -3.633
  335    HB   THR  43           HB       THR  43  13.876 -12.804  -2.335
  336    HG1  THR  43           HG1      THR  43  14.501 -12.351  -0.287
  337   1HG2  THR  43          3HG2      THR  43  15.925 -12.720  -4.045
  338   2HG2  THR  43          2HG2      THR  43  16.814 -13.253  -2.618
  339   3HG2  THR  43          1HG2      THR  43  15.467 -14.215  -3.229
  340    H    CYS  44           H        CYS  44  14.324  -9.968  -0.291
  341    HA   CYS  44           HA       CYS  44  11.459  -9.739  -0.731
  342   1HB   CYS  44          2HB       CYS  44  12.435 -10.151   1.517
  343   2HB   CYS  44          1HB       CYS  44  13.179  -8.555   1.467
  344    H    LYS  45           H        LYS  45  14.220  -7.533  -0.848
  345    HA   LYS  45           HA       LYS  45  12.730  -5.097  -0.949
  346   1HB   LYS  45          2HB       LYS  45  15.448  -5.908  -1.974
  347   2HB   LYS  45          1HB       LYS  45  14.813  -4.288  -2.253
  348   1HG   LYS  45          2HG       LYS  45  14.360  -4.245   0.294
  349   2HG   LYS  45          1HG       LYS  45  15.451  -5.629   0.369
  350   1HD   LYS  45          2HD       LYS  45  17.099  -4.183  -0.981
  351   2HD   LYS  45          1HD       LYS  45  16.058  -2.822  -0.562
  352   1HE   LYS  45          2HE       LYS  45  16.335  -3.354   1.836
  353   2HE   LYS  45          1HE       LYS  45  17.383  -4.708   1.412
  354   1HZ   LYS  45          3HZ       LYS  45  17.957  -1.950   0.514
  355   2HZ   LYS  45          2HZ       LYS  45  18.497  -2.531   2.016
  356   3HZ   LYS  45          1HZ       LYS  45  19.010  -3.278   0.579
  357    H    MET  46           H        MET  46  13.760  -7.346  -3.501
  358    HA   MET  46           HA       MET  46  12.562  -5.690  -5.601
  359   1HB   MET  46          2HB       MET  46  13.711  -8.497  -5.622
  360   2HB   MET  46          1HB       MET  46  13.124  -7.659  -7.059
  361   1HG   MET  46          2HG       MET  46  15.361  -6.721  -5.235
  362   2HG   MET  46          1HG       MET  46  15.555  -7.380  -6.860
  363   1HE   MET  46          3HE       MET  46  14.495  -6.566  -8.847
  364   2HE   MET  46          2HE       MET  46  12.914  -5.951  -8.371
  365   3HE   MET  46          1HE       MET  46  14.044  -4.895  -9.214
  366    H    ILE  47           H        ILE  47  11.613  -8.360  -3.562
  367    HA   ILE  47           HA       ILE  47   9.195  -8.877  -5.190
  368    HB   ILE  47           HB       ILE  47  10.203 -10.147  -2.626
  369   1HG1  ILE  47          1HG1      ILE  47  10.100 -11.243  -5.451
  370   2HG1  ILE  47          2HG1      ILE  47  11.547 -10.552  -4.716
  371   1HG2  ILE  47          3HG2      ILE  47   7.615 -10.184  -3.876
  372   2HG2  ILE  47          2HG2      ILE  47   8.342 -11.785  -4.016
  373   3HG2  ILE  47          1HG2      ILE  47   8.147 -11.041  -2.429
  374   1HD1  ILE  47          3HD1      ILE  47  10.715 -12.325  -2.783
  375   2HD1  ILE  47          2HD1      ILE  47  10.282 -13.173  -4.268
  376   3HD1  ILE  47          1HD1      ILE  47  11.950 -12.668  -3.995
  377    H    LEU  48           H        LEU  48  10.187  -6.936  -2.564
  378    HA   LEU  48           HA       LEU  48   7.525  -6.793  -1.318
  379   1HB   LEU  48          2HB       LEU  48   9.623  -6.564   0.024
  380   2HB   LEU  48          1HB       LEU  48   9.982  -5.075  -0.847
  381    HG   LEU  48           HG       LEU  48   8.113  -3.950   0.087
  382   1HD1  LEU  48          3HD1      LEU  48   7.163  -6.700   0.943
  383   2HD1  LEU  48          2HD1      LEU  48   6.408  -5.194   1.465
  384   3HD1  LEU  48          1HD1      LEU  48   6.404  -5.636  -0.242
  385   1HD2  LEU  48          1HD2      LEU  48   9.977  -4.350   1.692
  386   2HD2  LEU  48          3HD2      LEU  48   8.416  -4.215   2.503
  387   3HD2  LEU  48          2HD2      LEU  48   9.148  -5.802   2.258
  388    H    GLU  49           H        GLU  49   9.235  -5.279  -3.879
  389    HA   GLU  49           HA       GLU  49   7.840  -2.731  -3.802
  390   1HB   GLU  49          2HB       GLU  49   9.440  -4.167  -5.933
  391   2HB   GLU  49          1HB       GLU  49   8.687  -2.597  -6.213
  392   1HG   GLU  49          2HG       GLU  49   9.922  -1.685  -4.255
  393   2HG   GLU  49          1HG       GLU  49  10.717  -3.247  -4.053
  394    H    LYS  50           H        LYS  50   7.246  -5.895  -5.189
  395    HA   LYS  50           HA       LYS  50   5.246  -5.196  -7.089
  396   1HB   LYS  50          2HB       LYS  50   6.272  -7.458  -6.895
  397   2HB   LYS  50          1HB       LYS  50   5.397  -7.701  -5.383
  398   1HG   LYS  50          2HG       LYS  50   3.254  -7.343  -6.610
  399   2HG   LYS  50          1HG       LYS  50   4.168  -7.219  -8.114
  400   1HD   LYS  50          2HD       LYS  50   5.099  -9.507  -7.663
  401   2HD   LYS  50          1HD       LYS  50   4.022  -9.624  -6.272
  402   1HE   LYS  50          2HE       LYS  50   2.988 -10.706  -8.212
  403   2HE   LYS  50          1HE       LYS  50   2.078  -9.258  -7.782
  404   1HZ   LYS  50          1HZ       LYS  50   4.123  -8.531  -9.550
  405   2HZ   LYS  50          3HZ       LYS  50   3.314  -9.864 -10.216
  406   3HZ   LYS  50          2HZ       LYS  50   2.444  -8.466  -9.799
  407    H    GLU  51           H        GLU  51   5.076  -5.743  -3.594
  408    HA   GLU  51           HA       GLU  51   2.234  -5.742  -3.348
  409   1HB   GLU  51          2HB       GLU  51   4.370  -4.801  -1.409
  410   2HB   GLU  51          1HB       GLU  51   2.673  -5.034  -0.987
  411   1HG   GLU  51          2HG       GLU  51   4.520  -7.180  -2.080
  412   2HG   GLU  51          1HG       GLU  51   4.029  -7.019  -0.394
  413    H    ALA  52           H        ALA  52   4.588  -3.117  -3.571
  414    HA   ALA  52           HA       ALA  52   2.816  -0.985  -2.854
  415   1HB   ALA  52          2HB       ALA  52   5.498  -1.258  -3.824
  416   2HB   ALA  52          3HB       ALA  52   4.747   0.148  -3.070
  417   3HB   ALA  52          1HB       ALA  52   4.665  -0.064  -4.819
  418    H    LYS  53           H        LYS  53   3.254  -2.819  -5.801
  419    HA   LYS  53           HA       LYS  53   2.040  -1.011  -7.642
  420   1HB   LYS  53          2HB       LYS  53   2.024  -4.045  -7.603
  421   2HB   LYS  53          1HB       LYS  53   1.548  -3.056  -8.983
  422   1HG   LYS  53          2HG       LYS  53   3.813  -2.017  -8.978
  423   2HG   LYS  53          1HG       LYS  53   4.278  -3.093  -7.661
  424   1HD   LYS  53          2HD       LYS  53   3.733  -5.047  -9.119
  425   2HD   LYS  53          1HD       LYS  53   3.396  -3.929 -10.440
  426   1HE   LYS  53          2HE       LYS  53   5.837  -3.031  -9.726
  427   2HE   LYS  53          1HE       LYS  53   6.002  -4.719  -9.241
  428   1HZ   LYS  53          1HZ       LYS  53   4.831  -4.946 -11.641
  429   2HZ   LYS  53          3HZ       LYS  53   5.793  -3.570 -11.883
  430   3HZ   LYS  53          2HZ       LYS  53   6.508  -5.028 -11.383
  431    H    SER  54           H        SER  54   0.675  -3.210  -5.260
  432    HA   SER  54           HA       SER  54  -2.005  -3.285  -6.199
  433   1HB   SER  54          2HB       SER  54  -1.093  -3.229  -3.307
  434   2HB   SER  54          1HB       SER  54  -2.615  -3.878  -3.918
  435    HG   SER  54           HG       SER  54  -0.035  -4.911  -4.069
  436    H    GLN  55           H        GLN  55  -0.212  -0.789  -4.513
  437    HA   GLN  55           HA       GLN  55  -2.666   0.921  -4.619
  438   1HB   GLN  55          2HB       GLN  55  -0.463   0.911  -2.533
  439   2HB   GLN  55          1HB       GLN  55  -1.751   2.113  -2.621
  440   1HG   GLN  55          2HG       GLN  55  -3.437   0.333  -2.354
  441   2HG   GLN  55          1HG       GLN  55  -2.155  -0.876  -2.281
  442   1HE2  GLN  55          1HE2      GLN  55  -3.874  -0.648  -0.073
  443   2HE2  GLN  55          2HE2      GLN  55  -3.041   0.048   1.232

  No H/Q in entry =         443
  Start of MODEL    3
    1    H1   LYS   1          3H        LYS   1   9.311   4.827   1.480
    2    H2   LYS   1          2H        LYS   1  10.152   4.910   2.955
    3    H3   LYS   1          1H        LYS   1   9.833   3.403   2.239
    4    HA   LYS   1           HA       LYS   1   7.558   3.508   2.707
    5   1HB   LYS   1          1HB       LYS   1   9.107   4.708   5.024
    6   2HB   LYS   1          2HB       LYS   1   7.517   3.955   5.155
    7   1HG   LYS   1          2HG       LYS   1   8.488   1.850   4.220
    8   2HG   LYS   1          1HG       LYS   1  10.077   2.613   4.235
    9   1HD   LYS   1          2HD       LYS   1   9.819   2.989   6.696
   10   2HD   LYS   1          1HD       LYS   1   8.303   2.091   6.639
   11   1HE   LYS   1          2HE       LYS   1  10.326   0.557   5.302
   12   2HE   LYS   1          1HE       LYS   1  10.941   1.047   6.881
   13   1HZ   LYS   1          2HZ       LYS   1   8.196   0.159   6.891
   14   2HZ   LYS   1          1HZ       LYS   1   9.312  -1.047   6.456
   15   3HZ   LYS   1          3HZ       LYS   1   9.472  -0.240   7.939
   16    H    ASN   2           H        ASN   2   9.154   6.640   3.076
   17    HA   ASN   2           HA       ASN   2   6.926   8.216   3.807
   18   1HB   ASN   2          2HB       ASN   2   9.237   8.925   1.973
   19   2HB   ASN   2          1HB       ASN   2   8.129  10.092   2.697
   20   1HD2  ASN   2          1HD2      ASN   2  10.955  10.118   3.267
   21   2HD2  ASN   2          2HD2      ASN   2  11.165   9.713   4.902
   22    H    GLU   3           H        GLU   3   7.829   6.847   0.693
   23    HA   GLU   3           HA       GLU   3   6.027   8.394  -0.918
   24   1HB   GLU   3          2HB       GLU   3   7.161   5.607  -1.302
   25   2HB   GLU   3          1HB       GLU   3   6.246   6.477  -2.534
   26   1HG   GLU   3          2HG       GLU   3   7.917   8.339  -2.383
   27   2HG   GLU   3          1HG       GLU   3   8.862   7.350  -1.270
   28    H    ASP   4           H        ASP   4   5.654   5.328   0.847
   29    HA   ASP   4           HA       ASP   4   3.066   4.649  -0.109
   30   1HB   ASP   4          2HB       ASP   4   3.925   4.182   2.745
   31   2HB   ASP   4          1HB       ASP   4   2.938   3.148   1.712
   32    H    GLN   5           H        GLN   5   4.116   7.006   2.267
   33    HA   GLN   5           HA       GLN   5   1.632   7.456   3.583
   34   1HB   GLN   5          2HB       GLN   5   3.909   9.361   2.963
   35   2HB   GLN   5          1HB       GLN   5   2.562   9.751   4.032
   36   1HG   GLN   5          2HG       GLN   5   3.141   7.825   5.465
   37   2HG   GLN   5          1HG       GLN   5   4.489   7.435   4.396
   38   1HE2  GLN   5          1HE2      GLN   5   4.971   8.057   7.133
   39   2HE2  GLN   5          2HE2      GLN   5   5.774   9.550   7.222
   40    H    GLU   6           H        GLU   6   2.927   8.693   0.526
   41    HA   GLU   6           HA       GLU   6   0.973  10.682   0.010
   42   1HB   GLU   6          2HB       GLU   6   2.429   8.850  -1.922
   43   2HB   GLU   6          1HB       GLU   6   1.507  10.275  -2.401
   44   1HG   GLU   6          2HG       GLU   6   2.972  11.666  -0.932
   45   2HG   GLU   6          1HG       GLU   6   3.931  10.229  -0.577
   46    H    MET   7           H        MET   7   0.927   7.183  -0.654
   47    HA   MET   7           HA       MET   7  -1.578   7.140  -2.027
   48   1HB   MET   7          2HB       MET   7  -0.178   5.041  -0.349
   49   2HB   MET   7          1HB       MET   7  -1.642   4.724  -1.280
   50   1HG   MET   7          2HG       MET   7  -0.476   5.438  -3.343
   51   2HG   MET   7          1HG       MET   7   0.990   5.728  -2.407
   52   1HE   MET   7          1HE       MET   7   2.238   4.535  -3.874
   53   2HE   MET   7          3HE       MET   7   2.476   2.782  -3.911
   54   3HE   MET   7          2HE       MET   7   1.241   3.528  -4.922
   55    H    CYS   8           H        CYS   8  -0.748   7.256   1.380
   56    HA   CYS   8           HA       CYS   8  -3.309   6.505   2.425
   57   1HB   CYS   8          2HB       CYS   8  -1.268   6.615   3.819
   58   2HB   CYS   8          1HB       CYS   8  -1.225   8.366   3.610
   59    H    HIS   9           H        HIS   9  -1.999   9.549   1.232
   60    HA   HIS   9           HA       HIS   9  -3.846  11.397   2.216
   61   1HB   HIS   9          2HB       HIS   9  -2.078  12.234   0.864
   62   2HB   HIS   9          1HB       HIS   9  -2.498  11.174  -0.481
   63    HD1  HIS   9           HD1      HIS   9  -5.032  11.670  -1.488
   64    HD2  HIS   9           HD2      HIS   9  -3.176  14.759   0.608
   65    HE1  HIS   9           HE1      HIS   9  -6.242  13.798  -2.130
   66    H    GLU  10           H        GLU  10  -4.205   9.427  -0.755
   67    HA   GLU  10           HA       GLU  10  -6.809  10.284  -1.437
   68   1HB   GLU  10          2HB       GLU  10  -5.504   7.575  -1.822
   69   2HB   GLU  10          1HB       GLU  10  -7.007   8.072  -2.599
   70   1HG   GLU  10          2HG       GLU  10  -5.789  10.023  -3.589
   71   2HG   GLU  10          1HG       GLU  10  -4.292   9.387  -2.908
   72    H    PHE  11           H        PHE  11  -5.776   7.738   0.825
   73    HA   PHE  11           HA       PHE  11  -8.495   6.873   1.362
   74   1HB   PHE  11          2HB       PHE  11  -5.832   6.064   2.124
   75   2HB   PHE  11          1HB       PHE  11  -6.847   6.192   3.560
   76    HD1  PHE  11           HD1      PHE  11  -9.517   5.582   2.234
   77    HD2  PHE  11           HD2      PHE  11  -5.679   3.673   1.946
   78    HE1  PHE  11           HE1      PHE  11 -10.624   3.445   1.644
   79    HE2  PHE  11           HE2      PHE  11  -6.788   1.537   1.356
   80    HZ   PHE  11           HZ       PHE  11  -9.260   1.422   1.205
   81    H    GLN  12           H        GLN  12  -6.867   9.674   2.158
   82    HA   GLN  12           HA       GLN  12  -7.822  10.001   4.886
   83   1HB   GLN  12          2HB       GLN  12  -6.774  11.970   2.834
   84   2HB   GLN  12          1HB       GLN  12  -7.222  12.427   4.477
   85   1HG   GLN  12          2HG       GLN  12  -5.588  10.816   5.378
   86   2HG   GLN  12          1HG       GLN  12  -5.147  10.340   3.738
   87   1HE2  GLN  12          1HE2      GLN  12  -3.022  11.277   5.111
   88   2HE2  GLN  12          2HE2      GLN  12  -2.644  12.879   4.695
   89    H    ALA  13           H        ALA  13  -9.056  10.727   1.671
   90    HA   ALA  13           HA       ALA  13 -11.239  12.400   2.615
   91   1HB   ALA  13          2HB       ALA  13 -12.047  12.306   0.343
   92   2HB   ALA  13          3HB       ALA  13 -11.068  10.881  -0.002
   93   3HB   ALA  13          1HB       ALA  13 -10.291  12.441   0.270
   94    H    PHE  14           H        PHE  14 -10.711   8.974   2.200
   95    HA   PHE  14           HA       PHE  14 -13.571   8.322   2.391
   96   1HB   PHE  14          2HB       PHE  14 -11.080   6.592   2.452
   97   2HB   PHE  14          1HB       PHE  14 -12.727   5.962   2.494
   98    HD1  PHE  14           HD1      PHE  14 -14.294   6.477   0.568
   99    HD2  PHE  14           HD2      PHE  14 -10.076   7.278   0.408
  100    HE1  PHE  14           HE1      PHE  14 -14.416   6.629  -1.905
  101    HE2  PHE  14           HE2      PHE  14 -10.199   7.431  -2.064
  102    HZ   PHE  14           HZ       PHE  14 -12.369   7.106  -3.220
  103    H    MET  15           H        MET  15 -11.305   9.366   4.577
  104    HA   MET  15           HA       MET  15 -11.970   7.566   6.782
  105   1HB   MET  15          2HB       MET  15  -9.815   9.052   6.391
  106   2HB   MET  15          1HB       MET  15 -10.777  10.284   7.209
  107   1HG   MET  15          2HG       MET  15 -10.444   7.502   8.343
  108   2HG   MET  15          1HG       MET  15  -9.300   8.796   8.700
  109   1HE   MET  15          1HE       MET  15 -10.043  11.053   9.040
  110   2HE   MET  15          3HE       MET  15 -11.758  11.446   8.855
  111   3HE   MET  15          2HE       MET  15 -11.018  11.448  10.454
  112    H    LYS  16           H        LYS  16 -13.650   7.817   8.194
  113    HA   LYS  16           HA       LYS  16 -14.980  10.473   8.371
  114   1HB   LYS  16          2HB       LYS  16 -16.432   7.860   7.854
  115   2HB   LYS  16          1HB       LYS  16 -17.201   9.419   8.150
  116   1HG   LYS  16          2HG       LYS  16 -15.967  10.322   6.147
  117   2HG   LYS  16          1HG       LYS  16 -15.419   8.679   5.812
  118   1HD   LYS  16          2HD       LYS  16 -17.787   7.936   5.692
  119   2HD   LYS  16          1HD       LYS  16 -18.307   9.599   5.963
  120   1HE   LYS  16          2HE       LYS  16 -16.552   9.930   3.892
  121   2HE   LYS  16          1HE       LYS  16 -17.217   8.338   3.522
  122   1HZ   LYS  16          3HZ       LYS  16 -19.323   9.979   4.328
  123   2HZ   LYS  16          2HZ       LYS  16 -18.417  10.851   3.185
  124   3HZ   LYS  16          1HZ       LYS  16 -19.042   9.321   2.790
  125    H    ASN  17           H        ASN  17 -16.076  10.800  10.372
  126    HA   ASN  17           HA       ASN  17 -16.194  10.585  12.714
  127   1HB   ASN  17          2HB       ASN  17 -16.758   7.716  11.901
  128   2HB   ASN  17          1HB       ASN  17 -17.154   8.440  13.459
  129   1HD2  ASN  17          1HD2      ASN  17 -18.803   7.446  10.935
  130   2HD2  ASN  17          2HD2      ASN  17 -19.932   8.697  10.726
  131    H    GLY  18           H        GLY  18 -13.537  10.131  11.433
  132   1HA   GLY  18          1HA       GLY  18 -12.177   9.092  13.782
  133   2HA   GLY  18          2HA       GLY  18 -11.399   9.620  12.289
  134    H    LYS  19           H        LYS  19 -13.283   7.788  10.768
  135    HA   LYS  19           HA       LYS  19 -11.822   5.242  11.347
  136   1HB   LYS  19          2HB       LYS  19 -14.326   5.274  11.914
  137   2HB   LYS  19          1HB       LYS  19 -14.604   5.393  10.176
  138   1HG   LYS  19          2HG       LYS  19 -12.750   3.338  10.382
  139   2HG   LYS  19          1HG       LYS  19 -13.793   3.078  11.780
  140   1HD   LYS  19          2HD       LYS  19 -15.720   3.519  10.017
  141   2HD   LYS  19          1HD       LYS  19 -14.481   3.027   8.862
  142   1HE   LYS  19          2HE       LYS  19 -15.572   1.005   9.444
  143   2HE   LYS  19          1HE       LYS  19 -14.102   1.001  10.418
  144   1HZ   LYS  19          2HZ       LYS  19 -15.479   2.064  12.209
  145   2HZ   LYS  19          1HZ       LYS  19 -16.851   1.693  11.277
  146   3HZ   LYS  19          3HZ       LYS  19 -15.861   0.445  11.859
  147    H    LEU  20           H        LEU  20 -11.047   4.137   9.521
  148    HA   LEU  20           HA       LEU  20 -11.085   5.721   7.004
  149   1HB   LEU  20          2HB       LEU  20  -8.865   5.158   7.756
  150   2HB   LEU  20          1HB       LEU  20  -9.311   3.469   7.989
  151    HG   LEU  20           HG       LEU  20  -9.847   3.420   5.482
  152   1HD1  LEU  20          2HD1      LEU  20  -9.415   6.162   5.739
  153   2HD1  LEU  20          1HD1      LEU  20  -7.951   5.575   4.950
  154   3HD1  LEU  20          3HD1      LEU  20  -9.528   5.269   4.223
  155   1HD2  LEU  20          1HD2      LEU  20  -7.723   2.568   6.666
  156   2HD2  LEU  20          3HD2      LEU  20  -7.604   2.870   4.933
  157   3HD2  LEU  20          2HD2      LEU  20  -6.952   4.041   6.079
  158    H    PHE  21           H        PHE  21 -12.829   5.129   5.767
  159    HA   PHE  21           HA       PHE  21 -13.787   2.352   5.760
  160   1HB   PHE  21          2HB       PHE  21 -14.647   4.814   4.213
  161   2HB   PHE  21          1HB       PHE  21 -15.435   3.242   4.082
  162    HD1  PHE  21           HD1      PHE  21 -14.404   5.808   6.610
  163    HD2  PHE  21           HD2      PHE  21 -17.131   2.650   5.588
  164    HE1  PHE  21           HE1      PHE  21 -15.739   6.303   8.640
  165    HE2  PHE  21           HE2      PHE  21 -18.466   3.146   7.618
  166    HZ   PHE  21           HZ       PHE  21 -17.770   4.972   9.144
  167    H    CYS  22           H        CYS  22 -12.742   0.868   4.530
  168    HA   CYS  22           HA       CYS  22 -11.498   1.801   1.976
  169   1HB   CYS  22          2HB       CYS  22 -10.801  -0.665   3.597
  170   2HB   CYS  22          1HB       CYS  22  -9.932  -0.044   2.193
  171    HA   PRO  23           HA       PRO  23 -15.009  -0.781   0.532
  172   1HB   PRO  23          2HB       PRO  23 -15.142   0.390  -1.899
  173   2HB   PRO  23          1HB       PRO  23 -15.902   1.077  -0.462
  174   1HG   PRO  23          2HG       PRO  23 -13.302   1.797  -1.761
  175   2HG   PRO  23          1HG       PRO  23 -14.551   2.862  -1.109
  176   1HD   PRO  23          2HD       PRO  23 -12.286   2.289   0.257
  177   2HD   PRO  23          1HD       PRO  23 -13.822   2.596   1.068
  178    H    GLN  24           H        GLN  24 -15.077  -1.529  -2.105
  179    HA   GLN  24           HA       GLN  24 -12.736  -3.308  -2.270
  180   1HB   GLN  24          2HB       GLN  24 -15.064  -4.138  -2.694
  181   2HB   GLN  24          1HB       GLN  24 -15.129  -3.106  -4.123
  182   1HG   GLN  24          2HG       GLN  24 -13.200  -4.285  -5.084
  183   2HG   GLN  24          1HG       GLN  24 -13.076  -5.288  -3.639
  184   1HE2  GLN  24          1HE2      GLN  24 -13.440  -6.712  -5.945
  185   2HE2  GLN  24          2HE2      GLN  24 -15.037  -7.272  -6.081
  186    H    ASP  25           H        ASP  25 -10.943  -2.587  -3.305
  187    HA   ASP  25           HA       ASP  25 -11.160  -0.403  -5.275
  188   1HB   ASP  25          2HB       ASP  25  -9.340  -0.443  -3.556
  189   2HB   ASP  25          1HB       ASP  25  -8.700  -1.898  -4.320
  190    H    LYS  26           H        LYS  26 -11.459  -0.863  -7.397
  191    HA   LYS  26           HA       LYS  26 -11.419  -3.498  -8.477
  192   1HB   LYS  26          2HB       LYS  26 -11.162  -0.822  -9.880
  193   2HB   LYS  26          1HB       LYS  26 -11.477  -2.354 -10.694
  194   1HG   LYS  26          2HG       LYS  26 -13.529  -2.624  -9.289
  195   2HG   LYS  26          1HG       LYS  26 -13.233  -1.025  -8.607
  196   1HD   LYS  26          2HD       LYS  26 -13.304  -0.082 -10.928
  197   2HD   LYS  26          1HD       LYS  26 -13.748  -1.681 -11.523
  198   1HE   LYS  26          2HE       LYS  26 -15.802  -1.667 -10.283
  199   2HE   LYS  26          1HE       LYS  26 -15.316  -0.235  -9.375
  200   1HZ   LYS  26          1HZ       LYS  26 -15.690  -0.278 -12.317
  201   2HZ   LYS  26          3HZ       LYS  26 -16.888   0.213 -11.222
  202   3HZ   LYS  26          2HZ       LYS  26 -15.434   1.083 -11.334
  203    H    LYS  27           H        LYS  27  -8.929  -1.020  -8.244
  204    HA   LYS  27           HA       LYS  27  -7.057  -2.466  -9.959
  205   1HB   LYS  27          2HB       LYS  27  -6.533  -0.207  -8.002
  206   2HB   LYS  27          1HB       LYS  27  -5.448  -0.752  -9.281
  207   1HG   LYS  27          2HG       LYS  27  -6.951  -0.020 -10.994
  208   2HG   LYS  27          1HG       LYS  27  -8.259   0.222  -9.836
  209   1HD   LYS  27          2HD       LYS  27  -6.263   1.808  -8.792
  210   2HD   LYS  27          1HD       LYS  27  -6.014   1.996 -10.528
  211   1HE   LYS  27          2HE       LYS  27  -8.750   2.246  -9.267
  212   2HE   LYS  27          1HE       LYS  27  -7.664   3.626  -9.420
  213   1HZ   LYS  27          2HZ       LYS  27  -7.611   2.449 -11.879
  214   2HZ   LYS  27          1HZ       LYS  27  -9.242   2.331 -11.418
  215   3HZ   LYS  27          3HZ       LYS  27  -8.481   3.846 -11.459
  216    HA   PRO  28           HA       PRO  28  -5.581  -5.281  -6.844
  217   1HB   PRO  28          2HB       PRO  28  -3.214  -5.923  -7.977
  218   2HB   PRO  28          1HB       PRO  28  -4.759  -6.538  -8.570
  219   1HG   PRO  28          2HG       PRO  28  -3.094  -4.274  -9.604
  220   2HG   PRO  28          1HG       PRO  28  -3.943  -5.532 -10.507
  221   1HD   PRO  28          2HD       PRO  28  -4.943  -3.033 -10.228
  222   2HD   PRO  28          1HD       PRO  28  -5.981  -4.455 -10.341
  223    H    ILE  29           H        ILE  29  -4.524  -4.915  -4.940
  224    HA   ILE  29           HA       ILE  29  -2.378  -2.830  -4.942
  225    HB   ILE  29           HB       ILE  29  -3.135  -2.924  -2.340
  226   1HG1  ILE  29          2HG1      ILE  29  -5.664  -2.936  -2.370
  227   2HG1  ILE  29          1HG1      ILE  29  -5.576  -3.612  -3.997
  228   1HG2  ILE  29          1HG2      ILE  29  -3.304  -1.132  -4.469
  229   2HG2  ILE  29          3HG2      ILE  29  -4.952  -1.208  -3.843
  230   3HG2  ILE  29          2HG2      ILE  29  -3.621  -0.765  -2.773
  231   1HD1  ILE  29          1HD1      ILE  29  -3.801  -5.113  -2.347
  232   2HD1  ILE  29          3HD1      ILE  29  -5.338  -4.982  -1.491
  233   3HD1  ILE  29          2HD1      ILE  29  -5.289  -5.663  -3.117
  234    H    GLN  30           H        GLN  30  -0.804  -3.149  -3.086
  235    HA   GLN  30           HA       GLN  30  -0.452  -5.955  -2.222
  236   1HB   GLN  30          2HB       GLN  30   1.550  -4.440  -3.925
  237   2HB   GLN  30          1HB       GLN  30   1.956  -5.889  -3.005
  238   1HG   GLN  30          2HG       GLN  30   0.128  -7.102  -4.221
  239   2HG   GLN  30          1HG       GLN  30  -0.109  -5.665  -5.215
  240   1HE2  GLN  30          1HE2      GLN  30   0.644  -7.979  -6.554
  241   2HE2  GLN  30          2HE2      GLN  30   2.264  -7.874  -7.051
  242    H    SER  31           H        SER  31   0.141  -5.866  -0.092
  243    HA   SER  31           HA       SER  31   0.851  -3.290   1.078
  244   1HB   SER  31          2HB       SER  31  -0.365  -5.596   2.018
  245   2HB   SER  31          1HB       SER  31   1.216  -5.627   2.797
  246    HG   SER  31           HG       SER  31   0.720  -3.909   3.913
  247    H    LEU  32           H        LEU  32   2.822  -2.664   1.881
  248    HA   LEU  32           HA       LEU  32   5.166  -4.164   0.893
  249   1HB   LEU  32          2HB       LEU  32   4.978  -1.483   2.305
  250   2HB   LEU  32          1HB       LEU  32   6.430  -2.154   1.565
  251    HG   LEU  32           HG       LEU  32   5.123  -2.256  -0.620
  252   1HD1  LEU  32          3HD1      LEU  32   3.158  -0.875   1.179
  253   2HD1  LEU  32          2HD1      LEU  32   3.233  -0.408  -0.520
  254   3HD1  LEU  32          1HD1      LEU  32   2.866  -2.076  -0.080
  255   1HD2  LEU  32          2HD2      LEU  32   6.592  -0.229   0.528
  256   2HD2  LEU  32          1HD2      LEU  32   6.040  -0.244  -1.147
  257   3HD2  LEU  32          3HD2      LEU  32   5.102   0.603   0.083
  258    H    ASP  33           H        ASP  33   3.383  -3.736   3.792
  259    HA   ASP  33           HA       ASP  33   5.565  -4.211   5.648
  260   1HB   ASP  33          2HB       ASP  33   2.563  -4.496   5.971
  261   2HB   ASP  33          1HB       ASP  33   3.729  -4.608   7.291
  262    H    GLY  34           H        GLY  34   4.207  -6.173   3.357
  263   1HA   GLY  34          1HA       GLY  34   5.000  -8.605   4.884
  264   2HA   GLY  34          2HA       GLY  34   4.965  -8.480   3.124
  265    H    ILE  35           H        ILE  35   2.328  -7.052   3.253
  266    HA   ILE  35           HA       ILE  35   0.637  -9.446   3.860
  267    HB   ILE  35           HB       ILE  35  -0.386  -6.610   3.992
  268   1HG1  ILE  35          1HG1      ILE  35   0.150  -7.853   6.578
  269   2HG1  ILE  35          2HG1      ILE  35   1.630  -7.582   5.660
  270   1HG2  ILE  35          1HG2      ILE  35  -1.685  -8.995   4.019
  271   2HG2  ILE  35          3HG2      ILE  35  -1.377  -8.787   5.743
  272   3HG2  ILE  35          2HG2      ILE  35  -2.277  -7.559   4.854
  273   1HD1  ILE  35          2HD1      ILE  35   0.976  -5.224   5.305
  274   2HD1  ILE  35          1HD1      ILE  35  -0.499  -5.497   6.231
  275   3HD1  ILE  35          3HD1      ILE  35   1.072  -5.603   7.025
  276    H    MET  36           H        MET  36  -1.016  -9.897   2.344
  277    HA   MET  36           HA       MET  36  -0.655  -8.555  -0.286
  278   1HB   MET  36          2HB       MET  36  -2.135 -11.100   0.456
  279   2HB   MET  36          1HB       MET  36  -1.927 -10.482  -1.183
  280   1HG   MET  36          2HG       MET  36   0.536 -10.634  -0.906
  281   2HG   MET  36          1HG       MET  36   0.299 -11.307   0.707
  282   1HE   MET  36          1HE       MET  36  -1.334 -13.122   1.157
  283   2HE   MET  36          3HE       MET  36  -2.544 -13.107  -0.134
  284   3HE   MET  36          2HE       MET  36  -1.578 -14.552   0.155
  285    H    PHE  37           H        PHE  37  -2.099  -7.311   1.963
  286    HA   PHE  37           HA       PHE  37  -4.898  -7.332   0.926
  287   1HB   PHE  37          2HB       PHE  37  -4.602  -7.790   3.344
  288   2HB   PHE  37          1HB       PHE  37  -3.785  -6.237   3.526
  289    HD1  PHE  37           HD1      PHE  37  -7.011  -7.903   2.853
  290    HD2  PHE  37           HD2      PHE  37  -5.019  -4.140   3.424
  291    HE1  PHE  37           HE1      PHE  37  -9.207  -6.778   3.106
  292    HE2  PHE  37           HE2      PHE  37  -7.215  -3.016   3.677
  293    HZ   PHE  37           HZ       PHE  37  -9.309  -4.335   3.518
  294    H    ILE  38           H        ILE  38  -5.967  -5.091   1.014
  295    HA   ILE  38           HA       ILE  38  -4.780  -3.290  -0.742
  296    HB   ILE  38           HB       ILE  38  -6.610  -2.569   1.569
  297   1HG1  ILE  38          2HG1      ILE  38  -7.278  -3.343  -1.287
  298   2HG1  ILE  38          1HG1      ILE  38  -7.461  -4.408   0.107
  299   1HG2  ILE  38          3HG2      ILE  38  -5.284  -0.850  -0.079
  300   2HG2  ILE  38          2HG2      ILE  38  -6.742  -1.148  -1.025
  301   3HG2  ILE  38          1HG2      ILE  38  -6.869  -0.512   0.615
  302   1HD1  ILE  38          1HD1      ILE  38  -8.705  -1.903   0.722
  303   2HD1  ILE  38          3HD1      ILE  38  -9.293  -2.441  -0.851
  304   3HD1  ILE  38          2HD1      ILE  38  -9.463  -3.487   0.559
  305    H    ASN  39           H        ASN  39  -2.681  -2.641  -0.444
  306    HA   ASN  39           HA       ASN  39  -1.381  -2.166   2.021
  307   1HB   ASN  39          2HB       ASN  39  -0.194  -2.361  -0.127
  308   2HB   ASN  39          1HB       ASN  39  -0.874  -0.824  -0.650
  309   1HD2  ASN  39          1HD2      ASN  39   0.748  -1.978   2.380
  310   2HD2  ASN  39          2HD2      ASN  39   1.823  -0.670   2.469
  311    H    LYS  40           H        LYS  40  -2.803   0.262  -0.196
  312    HA   LYS  40           HA       LYS  40  -2.376   2.562   1.255
  313   1HB   LYS  40          2HB       LYS  40  -5.049   1.894   0.001
  314   2HB   LYS  40          1HB       LYS  40  -4.359   3.500   0.239
  315   1HG   LYS  40          2HG       LYS  40  -2.425   2.763  -1.237
  316   2HG   LYS  40          1HG       LYS  40  -3.371   1.326  -1.623
  317   1HD   LYS  40          2HD       LYS  40  -5.155   2.680  -2.552
  318   2HD   LYS  40          1HD       LYS  40  -4.367   4.163  -2.013
  319   1HE   LYS  40          2HE       LYS  40  -3.958   3.749  -4.421
  320   2HE   LYS  40          1HE       LYS  40  -2.457   3.697  -3.497
  321   1HZ   LYS  40          2HZ       LYS  40  -3.807   1.162  -3.674
  322   2HZ   LYS  40          1HZ       LYS  40  -3.308   1.770  -5.180
  323   3HZ   LYS  40          3HZ       LYS  40  -2.173   1.544  -3.940
  324    H    CYS  41           H        CYS  41  -5.208   0.443   1.730
  325    HA   CYS  41           HA       CYS  41  -6.125   1.828   4.074
  326   1HB   CYS  41          2HB       CYS  41  -7.393   0.131   2.608
  327   2HB   CYS  41          1HB       CYS  41  -6.555  -1.110   3.531
  328    H    ALA  42           H        ALA  42  -4.170  -1.098   3.632
  329    HA   ALA  42           HA       ALA  42  -3.800  -1.669   6.407
  330   1HB   ALA  42          3HB       ALA  42  -3.164  -2.943   4.090
  331   2HB   ALA  42          1HB       ALA  42  -2.521  -3.396   5.668
  332   3HB   ALA  42          2HB       ALA  42  -1.576  -2.365   4.594
  333    H    THR  43           H        THR  43  -2.105   0.573   4.253
  334    HA   THR  43           HA       THR  43  -0.135   1.066   6.441
  335    HB   THR  43           HB       THR  43   0.913   2.526   4.520
  336    HG1  THR  43           HG1      THR  43  -0.625   2.415   2.992
  337   1HG2  THR  43          1HG2      THR  43   1.729   0.317   5.533
  338   2HG2  THR  43          3HG2      THR  43   0.942  -0.476   4.169
  339   3HG2  THR  43          2HG2      THR  43   2.257   0.664   3.887
  340    H    CYS  44           H        CYS  44  -2.413   2.760   4.289
  341    HA   CYS  44           HA       CYS  44  -2.007   5.382   5.277
  342   1HB   CYS  44          2HB       CYS  44  -3.407   4.867   3.299
  343   2HB   CYS  44          1HB       CYS  44  -4.611   4.128   4.354
  344    H    LYS  45           H        LYS  45  -3.768   2.659   6.651
  345    HA   LYS  45           HA       LYS  45  -5.365   4.024   8.543
  346   1HB   LYS  45          2HB       LYS  45  -5.284   1.508   8.068
  347   2HB   LYS  45          1HB       LYS  45  -3.890   1.453   9.148
  348   1HG   LYS  45          2HG       LYS  45  -5.256   2.456  10.951
  349   2HG   LYS  45          1HG       LYS  45  -6.649   2.493   9.870
  350   1HD   LYS  45          2HD       LYS  45  -6.613   0.058   9.681
  351   2HD   LYS  45          1HD       LYS  45  -5.149  -0.022  10.661
  352   1HE   LYS  45          2HE       LYS  45  -6.360   0.040  12.560
  353   2HE   LYS  45          1HE       LYS  45  -7.173   1.515  12.037
  354   1HZ   LYS  45          1HZ       LYS  45  -8.095  -0.756  10.592
  355   2HZ   LYS  45          3HZ       LYS  45  -8.292  -0.978  12.262
  356   3HZ   LYS  45          2HZ       LYS  45  -8.980   0.376  11.499
  357    H    MET  46           H        MET  46  -2.038   2.767   8.991
  358    HA   MET  46           HA       MET  46  -1.707   4.033  11.564
  359   1HB   MET  46          2HB       MET  46   0.369   3.071   9.569
  360   2HB   MET  46          1HB       MET  46   0.700   3.512  11.244
  361   1HG   MET  46          2HG       MET  46  -0.943   1.758  11.967
  362   2HG   MET  46          1HG       MET  46  -1.091   1.262  10.281
  363   1HE   MET  46          3HE       MET  46   0.872   1.767  13.318
  364   2HE   MET  46          2HE       MET  46   2.328   0.781  13.213
  365   3HE   MET  46          1HE       MET  46   2.275   2.347  12.409
  366    H    ILE  47           H        ILE  47  -1.000   4.983   8.234
  367    HA   ILE  47           HA       ILE  47   0.447   7.388   8.961
  368    HB   ILE  47           HB       ILE  47  -1.001   6.786   6.366
  369   1HG1  ILE  47          2HG1      ILE  47   1.874   6.174   7.109
  370   2HG1  ILE  47          1HG1      ILE  47   0.585   4.971   7.084
  371   1HG2  ILE  47          3HG2      ILE  47   0.922   8.845   7.318
  372   2HG2  ILE  47          2HG2      ILE  47   1.212   8.189   5.707
  373   3HG2  ILE  47          1HG2      ILE  47  -0.329   8.962   6.081
  374   1HD1  ILE  47          1HD1      ILE  47   0.396   6.331   4.624
  375   2HD1  ILE  47          3HD1      ILE  47   2.117   6.040   4.872
  376   3HD1  ILE  47          2HD1      ILE  47   0.983   4.689   4.885
  377    H    LEU  48           H        LEU  48  -2.908   6.529   8.662
  378    HA   LEU  48           HA       LEU  48  -3.916   9.228   8.323
  379   1HB   LEU  48          2HB       LEU  48  -5.077   6.853   7.977
  380   2HB   LEU  48          1HB       LEU  48  -5.554   7.106   9.655
  381    HG   LEU  48           HG       LEU  48  -7.308   8.050   8.339
  382   1HD1  LEU  48          1HD1      LEU  48  -6.305   9.475  10.221
  383   2HD1  LEU  48          3HD1      LEU  48  -5.536  10.423   8.947
  384   3HD1  LEU  48          2HD1      LEU  48  -7.295  10.328   9.036
  385   1HD2  LEU  48          2HD2      LEU  48  -5.928   8.108   6.225
  386   2HD2  LEU  48          1HD2      LEU  48  -6.943   9.530   6.465
  387   3HD2  LEU  48          3HD2      LEU  48  -5.214   9.614   6.804
  388    H    GLU  49           H        GLU  49  -3.374   7.081  11.105
  389    HA   GLU  49           HA       GLU  49  -4.502   8.814  13.082
  390   1HB   GLU  49          2HB       GLU  49  -2.218   6.842  13.402
  391   2HB   GLU  49          1HB       GLU  49  -3.223   7.490  14.698
  392   1HG   GLU  49          2HG       GLU  49  -5.204   6.429  13.740
  393   2HG   GLU  49          1HG       GLU  49  -4.265   5.862  12.359
  394    H    LYS  50           H        LYS  50  -1.351   8.713  11.515
  395    HA   LYS  50           HA       LYS  50   0.190  10.297  13.233
  396   1HB   LYS  50          2HB       LYS  50   0.978   9.283  11.073
  397   2HB   LYS  50          1HB       LYS  50   0.123  10.562  10.211
  398   1HG   LYS  50          2HG       LYS  50   1.467  12.258  11.413
  399   2HG   LYS  50          1HG       LYS  50   2.334  10.970  12.249
  400   1HD   LYS  50          2HD       LYS  50   3.047  10.081  10.013
  401   2HD   LYS  50          1HD       LYS  50   2.301  11.492   9.262
  402   1HE   LYS  50          2HE       LYS  50   3.792  12.780  11.061
  403   2HE   LYS  50          1HE       LYS  50   4.766  11.315  10.945
  404   1HZ   LYS  50          3HZ       LYS  50   4.276  11.826   8.371
  405   2HZ   LYS  50          2HZ       LYS  50   4.327  13.407   8.992
  406   3HZ   LYS  50          1HZ       LYS  50   5.656  12.367   9.194
  407    H    GLU  51           H        GLU  51  -2.270  11.322  10.887
  408    HA   GLU  51           HA       GLU  51  -1.880  14.123  11.084
  409   1HB   GLU  51          2HB       GLU  51  -4.442  12.551  10.672
  410   2HB   GLU  51          1HB       GLU  51  -4.283  14.289  10.414
  411   1HG   GLU  51          2HG       GLU  51  -2.480  13.841   8.750
  412   2HG   GLU  51          1HG       GLU  51  -2.744  12.111   8.967
  413    H    ALA  52           H        ALA  52  -3.549  11.861  13.215
  414    HA   ALA  52           HA       ALA  52  -4.909  13.793  14.827
  415   1HB   ALA  52          1HB       ALA  52  -5.663  11.898  15.779
  416   2HB   ALA  52          2HB       ALA  52  -4.061  11.593  16.450
  417   3HB   ALA  52          3HB       ALA  52  -4.483  10.969  14.855
  418    H    LYS  53           H        LYS  53  -1.587  12.682  14.751
  419    HA   LYS  53           HA       LYS  53  -0.725  13.533  17.314
  420   1HB   LYS  53          2HB       LYS  53   0.765  13.566  14.671
  421   2HB   LYS  53          1HB       LYS  53   1.523  13.763  16.252
  422   1HG   LYS  53          2HG       LYS  53   0.590  11.540  16.922
  423   2HG   LYS  53          1HG       LYS  53  -0.023  11.341  15.280
  424   1HD   LYS  53          2HD       LYS  53   2.320  11.624  14.432
  425   2HD   LYS  53          1HD       LYS  53   2.879  11.652  16.104
  426   1HE   LYS  53          2HE       LYS  53   2.471   9.406  16.421
  427   2HE   LYS  53          1HE       LYS  53   1.117   9.386  15.291
  428   1HZ   LYS  53          3HZ       LYS  53   3.648  10.002  14.068
  429   2HZ   LYS  53          2HZ       LYS  53   3.592   8.453  14.764
  430   3HZ   LYS  53          1HZ       LYS  53   2.451   8.901  13.588
  431    H    SER  54           H        SER  54  -1.235  15.353  14.322
  432    HA   SER  54           HA       SER  54  -0.051  17.808  15.205
  433   1HB   SER  54          2HB       SER  54  -1.258  18.844  13.375
  434   2HB   SER  54          1HB       SER  54  -0.691  17.265  12.830
  435    HG   SER  54           HG       SER  54  -3.280  17.894  13.799
  436    H    GLN  55           H        GLN  55  -3.124  16.288  15.861
  437    HA   GLN  55           HA       GLN  55  -4.233  18.771  17.025
  438   1HB   GLN  55          2HB       GLN  55  -5.359  15.963  16.800
  439   2HB   GLN  55          1HB       GLN  55  -6.227  17.337  17.485
  440   1HG   GLN  55          2HG       GLN  55  -6.051  18.538  15.351
  441   2HG   GLN  55          1HG       GLN  55  -5.123  17.206  14.661
  442   1HE2  GLN  55          1HE2      GLN  55  -7.596  17.994  13.483
  443   2HE2  GLN  55          2HE2      GLN  55  -8.737  16.763  13.732

  No H/Q in entry =         443
  Start of MODEL    4
    1    H1   LYS   1          3H        LYS   1 -26.039 -17.903  17.066
    2    H2   LYS   1          2H        LYS   1 -27.616 -17.827  17.695
    3    H3   LYS   1          1H        LYS   1 -27.333 -18.564  16.190
    4    HA   LYS   1           HA       LYS   1 -27.764 -16.643  15.207
    5   1HB   LYS   1          2HB       LYS   1 -27.623 -15.475  18.004
    6   2HB   LYS   1          1HB       LYS   1 -28.188 -14.601  16.580
    7   1HG   LYS   1          2HG       LYS   1 -29.929 -16.366  16.246
    8   2HG   LYS   1          1HG       LYS   1 -29.409 -17.117  17.755
    9   1HD   LYS   1          2HD       LYS   1 -29.892 -14.962  18.935
   10   2HD   LYS   1          1HD       LYS   1 -30.532 -14.319  17.423
   11   1HE   LYS   1          2HE       LYS   1 -32.175 -15.414  19.156
   12   2HE   LYS   1          1HE       LYS   1 -32.374 -15.759  17.438
   13   1HZ   LYS   1          2HZ       LYS   1 -30.699 -17.452  19.192
   14   2HZ   LYS   1          1HZ       LYS   1 -32.366 -17.724  19.010
   15   3HZ   LYS   1          3HZ       LYS   1 -31.340 -17.826  17.664
   16    H    ASN   2           H        ASN   2 -25.583 -15.525  17.821
   17    HA   ASN   2           HA       ASN   2 -24.016 -13.845  16.165
   18   1HB   ASN   2          2HB       ASN   2 -23.224 -15.344  18.681
   19   2HB   ASN   2          1HB       ASN   2 -22.286 -14.040  17.955
   20   1HD2  ASN   2          1HD2      ASN   2 -23.381 -13.807  20.602
   21   2HD2  ASN   2          2HD2      ASN   2 -24.580 -12.606  20.577
   22    H    GLU   3           H        GLU   3 -23.765 -17.306  16.827
   23    HA   GLU   3           HA       GLU   3 -21.192 -17.777  15.729
   24   1HB   GLU   3          2HB       GLU   3 -22.591 -19.468  16.954
   25   2HB   GLU   3          1HB       GLU   3 -23.601 -19.607  15.515
   26   1HG   GLU   3          2HG       GLU   3 -21.582 -20.246  14.201
   27   2HG   GLU   3          1HG       GLU   3 -20.628 -20.190  15.684
   28    H    ASP   4           H        ASP   4 -24.344 -17.394  14.164
   29    HA   ASP   4           HA       ASP   4 -23.606 -18.240  11.551
   30   1HB   ASP   4          2HB       ASP   4 -25.550 -16.039  12.312
   31   2HB   ASP   4          1HB       ASP   4 -25.507 -16.900  10.774
   32    H    GLN   5           H        GLN   5 -23.075 -15.209  13.258
   33    HA   GLN   5           HA       GLN   5 -22.282 -13.638  10.998
   34   1HB   GLN   5          2HB       GLN   5 -21.452 -13.457  13.910
   35   2HB   GLN   5          1HB       GLN   5 -21.112 -12.224  12.696
   36   1HG   GLN   5          2HG       GLN   5 -23.515 -11.921  12.300
   37   2HG   GLN   5          1HG       GLN   5 -23.882 -13.198  13.460
   38   1HE2  GLN   5          1HE2      GLN   5 -24.881 -10.565  13.876
   39   2HE2  GLN   5          2HE2      GLN   5 -24.095  -9.887  15.219
   40    H    GLU   6           H        GLU   6 -20.649 -16.093  12.866
   41    HA   GLU   6           HA       GLU   6 -17.952 -15.430  12.176
   42   1HB   GLU   6          2HB       GLU   6 -19.241 -18.102  12.806
   43   2HB   GLU   6          1HB       GLU   6 -17.501 -17.853  12.661
   44   1HG   GLU   6          2HG       GLU   6 -17.644 -16.118  14.454
   45   2HG   GLU   6          1HG       GLU   6 -19.355 -16.499  14.643
   46    H    MET   7           H        MET   7 -20.399 -17.447  10.556
   47    HA   MET   7           HA       MET   7 -18.789 -18.512   8.497
   48   1HB   MET   7          2HB       MET   7 -21.664 -17.563   8.285
   49   2HB   MET   7          1HB       MET   7 -20.865 -18.682   7.181
   50   1HG   MET   7          2HG       MET   7 -21.468 -19.121  10.117
   51   2HG   MET   7          1HG       MET   7 -22.141 -20.000   8.745
   52   1HE   MET   7          1HE       MET   7 -20.984 -21.313   7.166
   53   2HE   MET   7          3HE       MET   7 -19.473 -20.452   6.840
   54   3HE   MET   7          2HE       MET   7 -19.438 -22.137   7.355
   55    H    CYS   8           H        CYS   8 -20.182 -15.304   8.869
   56    HA   CYS   8           HA       CYS   8 -19.779 -14.367   6.212
   57   1HB   CYS   8          2HB       CYS   8 -21.106 -13.132   7.884
   58   2HB   CYS   8          1HB       CYS   8 -19.644 -12.820   8.817
   59    H    HIS   9           H        HIS   9 -17.584 -14.610   8.970
   60    HA   HIS   9           HA       HIS   9 -15.444 -13.030   8.101
   61   1HB   HIS   9          2HB       HIS   9 -15.224 -14.064  10.227
   62   2HB   HIS   9          1HB       HIS   9 -15.520 -15.671   9.568
   63    HD1  HIS   9           HD1      HIS   9 -13.587 -16.433   7.718
   64    HD2  HIS   9           HD2      HIS   9 -12.529 -13.525  10.511
   65    HE1  HIS   9           HE1      HIS   9 -11.058 -16.367   7.758
   66    H    GLU  10           H        GLU  10 -16.053 -16.458   7.270
   67    HA   GLU  10           HA       GLU  10 -13.867 -16.844   5.543
   68   1HB   GLU  10          2HB       GLU  10 -16.676 -17.968   5.411
   69   2HB   GLU  10          1HB       GLU  10 -15.348 -18.543   4.402
   70   1HG   GLU  10          2HG       GLU  10 -14.041 -18.959   6.530
   71   2HG   GLU  10          1HG       GLU  10 -15.518 -18.608   7.427
   72    H    PHE  11           H        PHE  11 -17.010 -15.323   4.872
   73    HA   PHE  11           HA       PHE  11 -16.406 -15.014   2.031
   74   1HB   PHE  11          2HB       PHE  11 -18.700 -14.713   3.708
   75   2HB   PHE  11          1HB       PHE  11 -18.428 -13.178   2.883
   76    HD1  PHE  11           HD1      PHE  11 -17.072 -14.291   0.398
   77    HD2  PHE  11           HD2      PHE  11 -20.633 -15.479   2.493
   78    HE1  PHE  11           HE1      PHE  11 -17.989 -15.246  -1.699
   79    HE2  PHE  11           HE2      PHE  11 -21.545 -16.429   0.396
   80    HZ   PHE  11           HZ       PHE  11 -20.224 -16.317  -1.699
   81    H    GLN  12           H        GLN  12 -15.320 -13.474   4.805
   82    HA   GLN  12           HA       GLN  12 -15.251 -10.740   3.849
   83   1HB   GLN  12          2HB       GLN  12 -13.659 -12.190   5.983
   84   2HB   GLN  12          1HB       GLN  12 -13.520 -10.461   5.669
   85   1HG   GLN  12          2HG       GLN  12 -15.969 -10.225   6.076
   86   2HG   GLN  12          1HG       GLN  12 -16.042 -11.939   6.482
   87   1HE2  GLN  12          1HE2      GLN  12 -16.779 -10.096   8.463
   88   2HE2  GLN  12          2HE2      GLN  12 -15.589 -10.044   9.672
   89    H    ALA  13           H        ALA  13 -13.121 -13.535   3.575
   90    HA   ALA  13           HA       ALA  13 -10.830 -12.118   2.568
   91   1HB   ALA  13          3HB       ALA  13 -11.757 -14.960   2.591
   92   2HB   ALA  13          1HB       ALA  13 -10.247 -14.269   3.185
   93   3HB   ALA  13          2HB       ALA  13 -10.481 -14.521   1.455
   94    H    PHE  14           H        PHE  14 -13.785 -13.308   1.092
   95    HA   PHE  14           HA       PHE  14 -12.796 -12.874  -1.639
   96   1HB   PHE  14          2HB       PHE  14 -15.558 -13.503  -0.552
   97   2HB   PHE  14          1HB       PHE  14 -15.167 -13.391  -2.268
   98    HD1  PHE  14           HD1      PHE  14 -13.497 -14.977  -3.271
   99    HD2  PHE  14           HD2      PHE  14 -14.976 -15.432   0.736
  100    HE1  PHE  14           HE1      PHE  14 -12.691 -17.322  -3.240
  101    HE2  PHE  14           HE2      PHE  14 -14.170 -17.777   0.767
  102    HZ   PHE  14           HZ       PHE  14 -13.028 -18.722  -1.221
  103    H    MET  15           H        MET  15 -13.868 -10.874   0.823
  104    HA   MET  15           HA       MET  15 -15.391  -8.998  -0.827
  105   1HB   MET  15          2HB       MET  15 -15.549  -9.399   1.752
  106   2HB   MET  15          1HB       MET  15 -14.162  -8.313   1.834
  107   1HG   MET  15          2HG       MET  15 -16.718  -7.625   0.362
  108   2HG   MET  15          1HG       MET  15 -16.424  -7.178   2.042
  109   1HE   MET  15          1HE       MET  15 -14.574  -5.855   2.900
  110   2HE   MET  15          3HE       MET  15 -13.239  -6.622   2.027
  111   3HE   MET  15          2HE       MET  15 -13.431  -4.871   1.989
  112    H    LYS  16           H        LYS  16 -14.559  -7.270  -1.931
  113    HA   LYS  16           HA       LYS  16 -11.800  -6.363  -1.315
  114   1HB   LYS  16          2HB       LYS  16 -12.734  -7.230  -4.069
  115   2HB   LYS  16          1HB       LYS  16 -11.197  -6.435  -3.725
  116   1HG   LYS  16          2HG       LYS  16 -10.678  -8.327  -2.131
  117   2HG   LYS  16          1HG       LYS  16 -12.120  -9.146  -2.732
  118   1HD   LYS  16          2HD       LYS  16 -11.184  -9.017  -5.042
  119   2HD   LYS  16          1HD       LYS  16  -9.716  -8.299  -4.378
  120   1HE   LYS  16          2HE       LYS  16 -10.762 -10.931  -3.340
  121   2HE   LYS  16          1HE       LYS  16  -9.739 -10.865  -4.775
  122   1HZ   LYS  16          3HZ       LYS  16  -8.394  -9.289  -3.085
  123   2HZ   LYS  16          2HZ       LYS  16  -9.064 -10.411  -1.999
  124   3HZ   LYS  16          1HZ       LYS  16  -8.088 -10.945  -3.283
  125    H    ASN  17           H        ASN  17 -11.440  -4.179  -1.915
  126    HA   ASN  17           HA       ASN  17 -12.150  -1.953  -2.191
  127   1HB   ASN  17          2HB       ASN  17 -12.213  -3.092  -4.570
  128   2HB   ASN  17          1HB       ASN  17 -13.958  -2.914  -4.388
  129   1HD2  ASN  17          1HD2      ASN  17 -13.263  -1.374  -6.378
  130   2HD2  ASN  17          2HD2      ASN  17 -12.992   0.246  -5.950
  131    H    GLY  18           H        GLY  18 -13.767  -3.702  -0.405
  132   1HA   GLY  18          1HA       GLY  18 -16.013  -1.892  -0.052
  133   2HA   GLY  18          2HA       GLY  18 -15.689  -3.333   0.913
  134    H    LYS  19           H        LYS  19 -15.476  -4.842  -1.755
  135    HA   LYS  19           HA       LYS  19 -18.422  -5.106  -2.212
  136   1HB   LYS  19          2HB       LYS  19 -17.028  -4.154  -4.140
  137   2HB   LYS  19          1HB       LYS  19 -16.275  -5.744  -4.245
  138   1HG   LYS  19          2HG       LYS  19 -19.034  -6.257  -4.108
  139   2HG   LYS  19          1HG       LYS  19 -18.880  -4.883  -5.204
  140   1HD   LYS  19          2HD       LYS  19 -16.895  -6.328  -6.207
  141   2HD   LYS  19          1HD       LYS  19 -17.791  -7.661  -5.478
  142   1HE   LYS  19          2HE       LYS  19 -18.839  -5.658  -7.499
  143   2HE   LYS  19          1HE       LYS  19 -18.568  -7.381  -7.761
  144   1HZ   LYS  19          2HZ       LYS  19 -20.189  -7.736  -5.880
  145   2HZ   LYS  19          1HZ       LYS  19 -20.597  -6.094  -6.035
  146   3HZ   LYS  19          3HZ       LYS  19 -20.846  -7.154  -7.335
  147    H    LEU  20           H        LEU  20 -19.223  -7.148  -1.869
  148    HA   LEU  20           HA       LEU  20 -17.319  -9.235  -1.028
  149   1HB   LEU  20          2HB       LEU  20 -19.272  -9.050   0.353
  150   2HB   LEU  20          1HB       LEU  20 -20.343  -9.073  -1.047
  151    HG   LEU  20           HG       LEU  20 -19.431 -11.403  -1.549
  152   1HD1  LEU  20          2HD1      LEU  20 -17.743 -10.679   0.647
  153   2HD1  LEU  20          1HD1      LEU  20 -18.721 -12.064   1.132
  154   3HD1  LEU  20          3HD1      LEU  20 -17.713 -12.158  -0.313
  155   1HD2  LEU  20          3HD2      LEU  20 -21.639 -10.995  -0.492
  156   2HD2  LEU  20          2HD2      LEU  20 -20.890 -12.484   0.086
  157   3HD2  LEU  20          1HD2      LEU  20 -20.866 -11.035   1.094
  158    H    PHE  21           H        PHE  21 -16.460 -10.547  -2.554
  159    HA   PHE  21           HA       PHE  21 -17.818 -10.893  -5.144
  160   1HB   PHE  21          2HB       PHE  21 -15.177 -11.842  -4.013
  161   2HB   PHE  21          1HB       PHE  21 -15.778 -12.396  -5.576
  162    HD1  PHE  21           HD1      PHE  21 -15.314  -9.195  -3.664
  163    HD2  PHE  21           HD2      PHE  21 -15.181 -11.180  -7.471
  164    HE1  PHE  21           HE1      PHE  21 -14.486  -7.110  -4.721
  165    HE2  PHE  21           HE2      PHE  21 -14.353  -9.095  -8.528
  166    HZ   PHE  21           HZ       PHE  21 -14.005  -7.061  -7.153
  167    H    CYS  22           H        CYS  22 -19.216 -12.557  -5.501
  168    HA   CYS  22           HA       CYS  22 -19.261 -14.774  -3.510
  169   1HB   CYS  22          2HB       CYS  22 -21.314 -13.231  -4.288
  170   2HB   CYS  22          1HB       CYS  22 -21.422 -14.468  -5.540
  171    HA   PRO  23           HA       PRO  23 -17.489 -16.673  -7.427
  172   1HB   PRO  23          2HB       PRO  23 -15.475 -17.985  -6.199
  173   2HB   PRO  23          1HB       PRO  23 -15.325 -16.318  -6.759
  174   1HG   PRO  23          2HG       PRO  23 -15.861 -17.352  -4.002
  175   2HG   PRO  23          1HG       PRO  23 -14.789 -16.043  -4.510
  176   1HD   PRO  23          2HD       PRO  23 -17.248 -15.584  -3.466
  177   2HD   PRO  23          1HD       PRO  23 -16.512 -14.520  -4.665
  178    H    GLN  24           H        GLN  24 -17.215 -19.074  -7.814
  179    HA   GLN  24           HA       GLN  24 -19.337 -20.536  -6.452
  180   1HB   GLN  24          2HB       GLN  24 -17.310 -21.345  -8.555
  181   2HB   GLN  24          1HB       GLN  24 -18.552 -22.433  -7.935
  182   1HG   GLN  24          2HG       GLN  24 -20.295 -20.802  -8.633
  183   2HG   GLN  24          1HG       GLN  24 -19.034 -19.768  -9.306
  184   1HE2  GLN  24          1HE2      GLN  24 -21.015 -20.757 -11.040
  185   2HE2  GLN  24          2HE2      GLN  24 -20.340 -21.926 -12.068
  186    H    ASP  25           H        ASP  25 -19.043 -21.566  -4.542
  187    HA   ASP  25           HA       ASP  25 -16.338 -22.051  -3.523
  188   1HB   ASP  25          2HB       ASP  25 -18.192 -21.290  -2.040
  189   2HB   ASP  25          1HB       ASP  25 -19.022 -22.818  -2.334
  190    H    LYS  26           H        LYS  26 -15.232 -23.899  -3.913
  191    HA   LYS  26           HA       LYS  26 -16.324 -26.101  -5.369
  192   1HB   LYS  26          2HB       LYS  26 -13.888 -25.552  -5.238
  193   2HB   LYS  26          1HB       LYS  26 -13.887 -26.100  -3.562
  194   1HG   LYS  26          2HG       LYS  26 -14.678 -28.333  -4.320
  195   2HG   LYS  26          1HG       LYS  26 -14.595 -27.776  -5.991
  196   1HD   LYS  26          2HD       LYS  26 -12.160 -27.272  -5.634
  197   2HD   LYS  26          1HD       LYS  26 -12.287 -28.012  -4.038
  198   1HE   LYS  26          2HE       LYS  26 -13.379 -29.654  -6.233
  199   2HE   LYS  26          1HE       LYS  26 -11.640 -29.375  -6.329
  200   1HZ   LYS  26          2HZ       LYS  26 -11.536 -30.057  -3.946
  201   2HZ   LYS  26          1HZ       LYS  26 -13.160 -30.541  -4.066
  202   3HZ   LYS  26          3HZ       LYS  26 -11.978 -31.300  -5.017
  203    H    LYS  27           H        LYS  27 -15.992 -25.468  -1.919
  204    HA   LYS  27           HA       LYS  27 -17.208 -28.130  -1.341
  205   1HB   LYS  27          2HB       LYS  27 -16.622 -27.381   1.088
  206   2HB   LYS  27          1HB       LYS  27 -15.308 -27.889   0.026
  207   1HG   LYS  27          2HG       LYS  27 -14.590 -25.684  -0.347
  208   2HG   LYS  27          1HG       LYS  27 -16.141 -24.997   0.135
  209   1HD   LYS  27          2HD       LYS  27 -15.671 -25.903   2.472
  210   2HD   LYS  27          1HD       LYS  27 -14.030 -26.232   1.918
  211   1HE   LYS  27          2HE       LYS  27 -13.610 -23.915   1.495
  212   2HE   LYS  27          1HE       LYS  27 -15.317 -23.505   1.665
  213   1HZ   LYS  27          1HZ       LYS  27 -15.016 -24.486   4.016
  214   2HZ   LYS  27          3HZ       LYS  27 -13.363 -24.216   3.749
  215   3HZ   LYS  27          2HZ       LYS  27 -14.454 -22.914   3.700
  216    HA   PRO  28           HA       PRO  28 -21.027 -25.781  -0.868
  217   1HB   PRO  28          2HB       PRO  28 -22.579 -27.910  -0.264
  218   2HB   PRO  28          1HB       PRO  28 -22.079 -27.522  -1.911
  219   1HG   PRO  28          2HG       PRO  28 -20.935 -29.529  -0.005
  220   2HG   PRO  28          1HG       PRO  28 -21.268 -29.700  -1.732
  221   1HD   PRO  28          1HD       PRO  28 -18.779 -29.222  -0.789
  222   2HD   PRO  28          2HD       PRO  28 -19.329 -28.599  -2.345
  223    H    ILE  29           H        ILE  29 -22.333 -25.151   0.915
  224    HA   ILE  29           HA       ILE  29 -21.733 -26.407   3.536
  225    HB   ILE  29           HB       ILE  29 -20.402 -24.134   2.823
  226   1HG1  ILE  29          2HG1      ILE  29 -20.076 -25.594   4.825
  227   2HG1  ILE  29          1HG1      ILE  29 -19.927 -23.875   5.189
  228   1HG2  ILE  29          2HG2      ILE  29 -22.706 -22.958   2.792
  229   2HG2  ILE  29          1HG2      ILE  29 -22.654 -23.098   4.547
  230   3HG2  ILE  29          3HG2      ILE  29 -21.412 -22.179   3.698
  231   1HD1  ILE  29          2HD1      ILE  29 -22.631 -24.326   5.520
  232   2HD1  ILE  29          1HD1      ILE  29 -21.917 -25.819   6.129
  233   3HD1  ILE  29          3HD1      ILE  29 -21.446 -24.268   6.824
  234    H    GLN  30           H        GLN  30 -23.595 -26.695   4.677
  235    HA   GLN  30           HA       GLN  30 -26.099 -25.682   3.549
  236   1HB   GLN  30          2HB       GLN  30 -25.689 -27.210   6.134
  237   2HB   GLN  30          1HB       GLN  30 -27.187 -27.051   5.216
  238   1HG   GLN  30          2HG       GLN  30 -26.154 -28.247   3.320
  239   2HG   GLN  30          1HG       GLN  30 -24.654 -28.403   4.234
  240   1HE2  GLN  30          1HE2      GLN  30 -26.371 -30.632   3.284
  241   2HE2  GLN  30          2HE2      GLN  30 -26.872 -31.471   4.672
  242    H    SER  31           H        SER  31 -27.305 -23.997   4.329
  243    HA   SER  31           HA       SER  31 -26.138 -22.464   6.605
  244   1HB   SER  31          2HB       SER  31 -27.014 -20.529   5.644
  245   2HB   SER  31          1HB       SER  31 -26.650 -21.487   4.209
  246    HG   SER  31           HG       SER  31 -28.974 -20.523   4.936
  247    H    LEU  32           H        LEU  32 -28.159 -21.085   7.631
  248    HA   LEU  32           HA       LEU  32 -30.219 -23.132   8.354
  249   1HB   LEU  32          2HB       LEU  32 -30.251 -21.514  10.516
  250   2HB   LEU  32          1HB       LEU  32 -29.208 -22.931  10.404
  251    HG   LEU  32           HG       LEU  32 -27.416 -21.441   9.444
  252   1HD1  LEU  32          2HD1      LEU  32 -29.598 -19.604   9.372
  253   2HD1  LEU  32          1HD1      LEU  32 -28.402 -18.967  10.499
  254   3HD1  LEU  32          3HD1      LEU  32 -27.939 -19.337   8.838
  255   1HD2  LEU  32          2HD2      LEU  32 -28.529 -21.267  12.200
  256   2HD2  LEU  32          1HD2      LEU  32 -26.940 -21.810  11.661
  257   3HD2  LEU  32          3HD2      LEU  32 -27.291 -20.086  11.772
  258    H    ASP  33           H        ASP  33 -29.727 -20.248   6.786
  259    HA   ASP  33           HA       ASP  33 -32.169 -18.893   7.689
  260   1HB   ASP  33          2HB       ASP  33 -30.182 -18.343   5.473
  261   2HB   ASP  33          1HB       ASP  33 -31.613 -17.349   5.745
  262    H    GLY  34           H        GLY  34 -31.803 -21.625   6.018
  263   1HA   GLY  34          1HA       GLY  34 -34.316 -21.200   4.526
  264   2HA   GLY  34          2HA       GLY  34 -33.539 -22.756   4.821
  265    H    ILE  35           H        ILE  35 -31.013 -20.981   3.904
  266    HA   ILE  35           HA       ILE  35 -31.536 -21.298   0.979
  267    HB   ILE  35           HB       ILE  35 -29.343 -19.703   2.336
  268   1HG1  ILE  35          2HG1      ILE  35 -31.868 -18.659   1.029
  269   2HG1  ILE  35          1HG1      ILE  35 -31.716 -18.899   2.770
  270   1HG2  ILE  35          3HG2      ILE  35 -30.298 -20.020  -0.513
  271   2HG2  ILE  35          2HG2      ILE  35 -29.356 -18.620   0.001
  272   3HG2  ILE  35          1HG2      ILE  35 -28.667 -20.239   0.122
  273   1HD1  ILE  35          2HD1      ILE  35 -29.448 -17.440   1.626
  274   2HD1  ILE  35          1HD1      ILE  35 -30.983 -16.607   1.387
  275   3HD1  ILE  35          3HD1      ILE  35 -30.456 -17.034   3.015
  276    H    MET  36           H        MET  36 -29.609 -22.060  -0.297
  277    HA   MET  36           HA       MET  36 -28.231 -24.226   1.215
  278   1HB   MET  36          2HB       MET  36 -28.804 -23.825  -1.731
  279   2HB   MET  36          1HB       MET  36 -27.741 -25.097  -1.127
  280   1HG   MET  36          2HG       MET  36 -29.634 -25.876   0.342
  281   2HG   MET  36          1HG       MET  36 -30.675 -24.708  -0.472
  282   1HE   MET  36          2HE       MET  36 -28.021 -27.154  -0.852
  283   2HE   MET  36          1HE       MET  36 -29.132 -28.513  -0.996
  284   3HE   MET  36          3HE       MET  36 -28.216 -27.961  -2.405
  285    H    PHE  37           H        PHE  37 -26.436 -23.164   2.062
  286    HA   PHE  37           HA       PHE  37 -24.253 -22.335   2.038
  287   1HB   PHE  37          2HB       PHE  37 -23.799 -23.981   0.292
  288   2HB   PHE  37          1HB       PHE  37 -24.458 -22.897  -0.931
  289    HD1  PHE  37           HD1      PHE  37 -21.649 -23.499   1.379
  290    HD2  PHE  37           HD2      PHE  37 -23.245 -20.911  -1.653
  291    HE1  PHE  37           HE1      PHE  37 -19.444 -22.396   1.165
  292    HE2  PHE  37           HE2      PHE  37 -21.036 -19.807  -1.871
  293    HZ   PHE  37           HZ       PHE  37 -19.134 -20.549  -0.462
  294    H    ILE  38           H        ILE  38 -25.916 -21.114  -0.882
  295    HA   ILE  38           HA       ILE  38 -24.752 -18.656  -1.208
  296    HB   ILE  38           HB       ILE  38 -27.732 -19.219  -1.213
  297   1HG1  ILE  38          2HG1      ILE  38 -25.680 -19.184  -3.448
  298   2HG1  ILE  38          1HG1      ILE  38 -26.382 -20.637  -2.736
  299   1HG2  ILE  38          3HG2      ILE  38 -26.120 -16.936  -2.394
  300   2HG2  ILE  38          2HG2      ILE  38 -27.823 -17.241  -2.735
  301   3HG2  ILE  38          1HG2      ILE  38 -27.314 -16.814  -1.102
  302   1HD1  ILE  38          2HD1      ILE  38 -28.492 -18.817  -3.466
  303   2HD1  ILE  38          1HD1      ILE  38 -27.435 -19.072  -4.854
  304   3HD1  ILE  38          3HD1      ILE  38 -28.195 -20.451  -4.059
  305    H    ASN  39           H        ASN  39 -26.761 -19.626   1.500
  306    HA   ASN  39           HA       ASN  39 -27.549 -17.189   2.587
  307   1HB   ASN  39          2HB       ASN  39 -27.904 -19.527   3.561
  308   2HB   ASN  39          1HB       ASN  39 -26.297 -19.367   4.272
  309   1HD2  ASN  39          1HD2      ASN  39 -26.670 -18.897   6.464
  310   2HD2  ASN  39          2HD2      ASN  39 -27.719 -17.686   7.023
  311    H    LYS  40           H        LYS  40 -24.398 -18.792   3.239
  312    HA   LYS  40           HA       LYS  40 -23.205 -16.838   4.793
  313   1HB   LYS  40          2HB       LYS  40 -21.947 -18.438   2.549
  314   2HB   LYS  40          1HB       LYS  40 -21.032 -17.524   3.748
  315   1HG   LYS  40          2HG       LYS  40 -22.200 -18.857   5.540
  316   2HG   LYS  40          1HG       LYS  40 -22.896 -19.857   4.264
  317   1HD   LYS  40          2HD       LYS  40 -20.816 -20.849   5.218
  318   2HD   LYS  40          1HD       LYS  40 -20.659 -20.489   3.499
  319   1HE   LYS  40          2HE       LYS  40 -19.878 -18.362   5.448
  320   2HE   LYS  40          1HE       LYS  40 -18.789 -19.734   5.245
  321   1HZ   LYS  40          2HZ       LYS  40 -19.615 -18.945   2.709
  322   2HZ   LYS  40          1HZ       LYS  40 -19.171 -17.531   3.540
  323   3HZ   LYS  40          3HZ       LYS  40 -18.064 -18.806   3.389
  324    H    CYS  41           H        CYS  41 -23.727 -16.783   1.307
  325    HA   CYS  41           HA       CYS  41 -22.245 -14.292   0.936
  326   1HB   CYS  41          2HB       CYS  41 -22.997 -16.275  -0.765
  327   2HB   CYS  41          1HB       CYS  41 -24.274 -15.100  -1.070
  328    H    ALA  42           H        ALA  42 -25.656 -15.250   1.208
  329    HA   ALA  42           HA       ALA  42 -26.606 -12.511   0.853
  330   1HB   ALA  42          2HB       ALA  42 -27.791 -15.184   1.203
  331   2HB   ALA  42          1HB       ALA  42 -28.707 -13.883   1.965
  332   3HB   ALA  42          3HB       ALA  42 -28.355 -13.820   0.238
  333    H    THR  43           H        THR  43 -25.450 -14.394   3.511
  334    HA   THR  43           HA       THR  43 -26.764 -12.563   5.458
  335    HB   THR  43           HB       THR  43 -25.691 -14.212   7.130
  336    HG1  THR  43           HG1      THR  43 -24.260 -15.262   5.850
  337   1HG2  THR  43          1HG2      THR  43 -28.096 -14.190   6.557
  338   2HG2  THR  43          3HG2      THR  43 -27.768 -15.230   5.170
  339   3HG2  THR  43          2HG2      THR  43 -27.510 -15.835   6.807
  340    H    CYS  44           H        CYS  44 -23.575 -13.689   4.381
  341    HA   CYS  44           HA       CYS  44 -22.064 -12.162   6.287
  342   1HB   CYS  44          2HB       CYS  44 -21.104 -14.036   4.976
  343   2HB   CYS  44          1HB       CYS  44 -21.258 -13.072   3.510
  344    H    LYS  45           H        LYS  45 -23.619 -11.340   3.265
  345    HA   LYS  45           HA       LYS  45 -22.135  -8.952   2.699
  346   1HB   LYS  45          2HB       LYS  45 -23.752 -10.132   1.134
  347   2HB   LYS  45          1HB       LYS  45 -25.062  -9.421   2.077
  348   1HG   LYS  45          2HG       LYS  45 -24.226  -7.170   1.593
  349   2HG   LYS  45          1HG       LYS  45 -22.853  -7.847   0.718
  350   1HD   LYS  45          2HD       LYS  45 -24.408  -8.896  -0.897
  351   2HD   LYS  45          1HD       LYS  45 -25.773  -8.193  -0.029
  352   1HE   LYS  45          2HE       LYS  45 -25.390  -6.653  -1.773
  353   2HE   LYS  45          1HE       LYS  45 -24.555  -5.926  -0.399
  354   1HZ   LYS  45          3HZ       LYS  45 -23.195  -7.721  -2.321
  355   2HZ   LYS  45          2HZ       LYS  45 -23.274  -6.039  -2.545
  356   3HZ   LYS  45          1HZ       LYS  45 -22.489  -6.681  -1.182
  357    H    MET  46           H        MET  46 -25.143  -9.504   4.542
  358    HA   MET  46           HA       MET  46 -25.333  -6.691   5.303
  359   1HB   MET  46          2HB       MET  46 -26.763  -9.147   6.366
  360   2HB   MET  46          1HB       MET  46 -27.172  -7.482   6.777
  361   1HG   MET  46          2HG       MET  46 -27.565  -7.018   4.360
  362   2HG   MET  46          1HG       MET  46 -27.244  -8.715   4.006
  363   1HE   MET  46          2HE       MET  46 -28.344 -10.614   5.109
  364   2HE   MET  46          1HE       MET  46 -28.613 -10.051   6.756
  365   3HE   MET  46          3HE       MET  46 -29.968 -10.651   5.790
  366    H    ILE  47           H        ILE  47 -23.897  -9.600   6.611
  367    HA   ILE  47           HA       ILE  47 -23.434  -8.354   9.244
  368    HB   ILE  47           HB       ILE  47 -22.427 -10.992   8.131
  369   1HG1  ILE  47          2HG1      ILE  47 -24.766 -10.483   9.988
  370   2HG1  ILE  47          1HG1      ILE  47 -24.941 -10.733   8.251
  371   1HG2  ILE  47          1HG2      ILE  47 -22.264  -9.607  10.776
  372   2HG2  ILE  47          3HG2      ILE  47 -22.483 -11.357  10.773
  373   3HG2  ILE  47          2HG2      ILE  47 -21.079 -10.642   9.979
  374   1HD1  ILE  47          3HD1      ILE  47 -23.563 -12.898   8.639
  375   2HD1  ILE  47          2HD1      ILE  47 -23.965 -12.675  10.342
  376   3HD1  ILE  47          1HD1      ILE  47 -25.250 -12.892   9.154
  377    H    LEU  48           H        LEU  48 -21.824  -8.709   6.198
  378    HA   LEU  48           HA       LEU  48 -19.147  -8.203   7.297
  379   1HB   LEU  48          2HB       LEU  48 -19.493  -9.571   5.234
  380   2HB   LEU  48          1HB       LEU  48 -20.105  -8.134   4.418
  381    HG   LEU  48           HG       LEU  48 -17.999  -7.053   4.498
  382   1HD1  LEU  48          2HD1      LEU  48 -17.355  -9.096   6.626
  383   2HD1  LEU  48          1HD1      LEU  48 -16.081  -8.194   5.805
  384   3HD1  LEU  48          3HD1      LEU  48 -17.304  -7.337   6.744
  385   1HD2  LEU  48          2HD2      LEU  48 -17.498 -10.020   4.092
  386   2HD2  LEU  48          1HD2      LEU  48 -18.035  -8.878   2.860
  387   3HD2  LEU  48          3HD2      LEU  48 -16.421  -8.731   3.554
  388    H    GLU  49           H        GLU  49 -21.868  -6.367   6.279
  389    HA   GLU  49           HA       GLU  49 -20.311  -3.938   5.699
  390   1HB   GLU  49          2HB       GLU  49 -23.279  -4.517   5.879
  391   2HB   GLU  49          1HB       GLU  49 -22.636  -2.901   5.589
  392   1HG   GLU  49          2HG       GLU  49 -21.441  -3.745   3.591
  393   2HG   GLU  49          1HG       GLU  49 -22.113  -5.351   3.876
  394    H    LYS  50           H        LYS  50 -22.033  -5.402   8.370
  395    HA   LYS  50           HA       LYS  50 -22.391  -3.106  10.013
  396   1HB   LYS  50          2HB       LYS  50 -21.840  -5.991  10.772
  397   2HB   LYS  50          1HB       LYS  50 -22.353  -4.746  11.910
  398   1HG   LYS  50          2HG       LYS  50 -24.416  -4.395  10.629
  399   2HG   LYS  50          1HG       LYS  50 -23.896  -5.584   9.435
  400   1HD   LYS  50          2HD       LYS  50 -23.805  -7.290  11.289
  401   2HD   LYS  50          1HD       LYS  50 -24.530  -6.088  12.356
  402   1HE   LYS  50          2HE       LYS  50 -26.580  -6.536  11.541
  403   2HE   LYS  50          1HE       LYS  50 -26.029  -6.238   9.893
  404   1HZ   LYS  50          1HZ       LYS  50 -25.127  -8.732  11.034
  405   2HZ   LYS  50          3HZ       LYS  50 -26.807  -8.629  10.827
  406   3HZ   LYS  50          2HZ       LYS  50 -25.773  -8.409   9.497
  407    H    GLU  51           H        GLU  51 -19.592  -5.227   9.521
  408    HA   GLU  51           HA       GLU  51 -17.957  -4.210  11.616
  409   1HB   GLU  51          2HB       GLU  51 -17.174  -5.276   8.885
  410   2HB   GLU  51          1HB       GLU  51 -16.048  -5.010  10.217
  411   1HG   GLU  51          2HG       GLU  51 -17.415  -6.567  11.620
  412   2HG   GLU  51          1HG       GLU  51 -18.423  -6.898  10.211
  413    H    ALA  52           H        ALA  52 -18.638  -2.993   8.373
  414    HA   ALA  52           HA       ALA  52 -16.585  -0.969   8.367
  415   1HB   ALA  52          2HB       ALA  52 -17.975  -1.869   6.377
  416   2HB   ALA  52          1HB       ALA  52 -19.218  -0.736   6.908
  417   3HB   ALA  52          3HB       ALA  52 -17.633  -0.139   6.414
  418    H    LYS  53           H        LYS  53 -19.813  -1.163   9.708
  419    HA   LYS  53           HA       LYS  53 -21.023   0.346  11.035
  420   1HB   LYS  53          2HB       LYS  53 -18.241   1.471  11.489
  421   2HB   LYS  53          1HB       LYS  53 -19.662   1.841  12.465
  422   1HG   LYS  53          2HG       LYS  53 -19.884  -0.585  12.999
  423   2HG   LYS  53          1HG       LYS  53 -18.399  -0.893  12.099
  424   1HD   LYS  53          2HD       LYS  53 -17.201   0.687  13.620
  425   2HD   LYS  53          1HD       LYS  53 -18.684   0.858  14.559
  426   1HE   LYS  53          2HE       LYS  53 -17.906  -0.904  15.759
  427   2HE   LYS  53          1HE       LYS  53 -18.417  -1.880  14.382
  428   1HZ   LYS  53          2HZ       LYS  53 -15.820  -0.608  14.140
  429   2HZ   LYS  53          1HZ       LYS  53 -15.927  -1.838  15.307
  430   3HZ   LYS  53          3HZ       LYS  53 -16.313  -2.170  13.689
  431    H    SER  54           H        SER  54 -21.096   0.954   8.333
  432    HA   SER  54           HA       SER  54 -20.261   3.591   7.642
  433   1HB   SER  54          2HB       SER  54 -22.717   2.112   6.649
  434   2HB   SER  54          1HB       SER  54 -21.902   3.449   5.838
  435    HG   SER  54           HG       SER  54 -20.881   1.848   4.915
  436    H    GLN  55           H        GLN  55 -23.015   2.404   9.464
  437    HA   GLN  55           HA       GLN  55 -24.636   3.563  10.704
  438   1HB   GLN  55          2HB       GLN  55 -22.607   4.744  11.576
  439   2HB   GLN  55          1HB       GLN  55 -22.792   5.936  10.289
  440   1HG   GLN  55          2HG       GLN  55 -25.024   6.524  11.133
  441   2HG   GLN  55          1HG       GLN  55 -24.883   5.300  12.395
  442   1HE2  GLN  55          1HE2      GLN  55 -25.280   7.866  13.310
  443   2HE2  GLN  55          2HE2      GLN  55 -23.844   8.515  13.941

  No H/Q in entry =         443
  Start of MODEL    5
    1    H1   LYS   1          3H        LYS   1  -4.758  -8.738   1.778
    2    H2   LYS   1          2H        LYS   1  -3.376  -9.625   1.339
    3    H3   LYS   1          1H        LYS   1  -3.221  -8.034   1.915
    4    HA   LYS   1           HA       LYS   1  -3.328  -7.270  -0.144
    5   1HB   LYS   1          2HB       LYS   1  -3.973 -10.143  -0.873
    6   2HB   LYS   1          1HB       LYS   1  -3.557  -8.881  -2.032
    7   1HG   LYS   1          2HG       LYS   1  -1.386  -8.559  -0.838
    8   2HG   LYS   1          1HG       LYS   1  -1.801  -9.910   0.217
    9   1HD   LYS   1          2HD       LYS   1  -1.991 -11.375  -1.792
   10   2HD   LYS   1          1HD       LYS   1  -1.472 -10.021  -2.797
   11   1HE   LYS   1          2HE       LYS   1   0.699 -10.301  -2.221
   12   2HE   LYS   1          1HE       LYS   1   0.302 -10.474  -0.512
   13   1HZ   LYS   1          1HZ       LYS   1  -0.439 -12.680  -2.263
   14   2HZ   LYS   1          3HZ       LYS   1   1.219 -12.469  -1.975
   15   3HZ   LYS   1          2HZ       LYS   1   0.155 -12.706  -0.672
   16    H    ASN   2           H        ASN   2  -4.901  -6.883  -2.019
   17    HA   ASN   2           HA       ASN   2  -7.050  -6.235  -2.701
   18   1HB   ASN   2          2HB       ASN   2  -7.916  -8.648  -1.080
   19   2HB   ASN   2          1HB       ASN   2  -8.832  -7.860  -2.364
   20   1HD2  ASN   2          1HD2      ASN   2  -6.730  -7.455  -4.260
   21   2HD2  ASN   2          2HD2      ASN   2  -6.188  -8.971  -4.797
   22    H    GLU   3           H        GLU   3  -6.080  -4.842  -0.498
   23    HA   GLU   3           HA       GLU   3  -7.761  -4.849   1.800
   24   1HB   GLU   3          2HB       GLU   3  -5.577  -3.616   1.583
   25   2HB   GLU   3          1HB       GLU   3  -6.403  -2.435   0.566
   26   1HG   GLU   3          2HG       GLU   3  -8.006  -2.004   2.424
   27   2HG   GLU   3          1HG       GLU   3  -7.096  -3.124   3.439
   28    H    ASP   4           H        ASP   4  -8.109  -3.294  -1.358
   29    HA   ASP   4           HA       ASP   4 -10.271  -1.563  -0.749
   30   1HB   ASP   4          2HB       ASP   4  -9.862  -3.097  -3.332
   31   2HB   ASP   4          1HB       ASP   4 -10.766  -1.596  -3.130
   32    H    GLN   5           H        GLN   5 -10.185  -5.026  -1.368
   33    HA   GLN   5           HA       GLN   5 -13.014  -5.394  -1.703
   34   1HB   GLN   5          2HB       GLN   5 -10.844  -7.276  -0.735
   35   2HB   GLN   5          1HB       GLN   5 -12.503  -7.778  -1.061
   36   1HG   GLN   5          2HG       GLN   5 -12.283  -6.979  -3.390
   37   2HG   GLN   5          1HG       GLN   5 -10.620  -6.491  -3.063
   38   1HE2  GLN   5          1HE2      GLN   5 -11.120  -8.421  -5.073
   39   2HE2  GLN   5          2HE2      GLN   5 -10.558  -9.934  -4.547
   40    H    GLU   6           H        GLU   6 -10.922  -5.192   1.130
   41    HA   GLU   6           HA       GLU   6 -12.782  -6.171   3.062
   42   1HB   GLU   6          2HB       GLU   6 -10.581  -4.102   3.350
   43   2HB   GLU   6          1HB       GLU   6 -11.423  -4.867   4.698
   44   1HG   GLU   6          2HG       GLU   6 -10.669  -7.088   3.884
   45   2HG   GLU   6          1HG       GLU   6  -9.789  -6.295   2.577
   46    H    MET   7           H        MET   7 -12.347  -2.982   1.593
   47    HA   MET   7           HA       MET   7 -14.074  -1.522   3.335
   48   1HB   MET   7          2HB       MET   7 -13.353  -1.143   0.419
   49   2HB   MET   7          1HB       MET   7 -14.355   0.001   1.312
   50   1HG   MET   7          2HG       MET   7 -12.517   0.220   2.996
   51   2HG   MET   7          1HG       MET   7 -11.512  -0.814   1.982
   52   1HE   MET   7          2HE       MET   7 -11.823  -0.567  -0.472
   53   2HE   MET   7          1HE       MET   7 -12.714   0.776  -1.183
   54   3HE   MET   7          3HE       MET   7 -10.945   0.793  -1.167
   55    H    CYS   8           H        CYS   8 -14.718  -3.723   0.690
   56    HA   CYS   8           HA       CYS   8 -17.486  -2.924   0.346
   57   1HB   CYS   8          2HB       CYS   8 -16.246  -4.078  -1.448
   58   2HB   CYS   8          1HB       CYS   8 -16.090  -5.503  -0.421
   59    H    HIS   9           H        HIS   9 -15.781  -5.278   2.336
   60    HA   HIS   9           HA       HIS   9 -17.899  -6.912   3.176
   61   1HB   HIS   9          2HB       HIS   9 -15.753  -7.479   3.998
   62   2HB   HIS   9          1HB       HIS   9 -15.463  -5.853   4.615
   63    HD1  HIS   9           HD1      HIS   9 -17.279  -5.137   6.601
   64    HD2  HIS   9           HD2      HIS   9 -16.628  -9.205   5.968
   65    HE1  HIS   9           HE1      HIS   9 -18.091  -6.323   8.683
   66    H    GLU  10           H        GLU  10 -16.907  -3.757   4.531
   67    HA   GLU  10           HA       GLU  10 -18.929  -3.586   6.516
   68   1HB   GLU  10          2HB       GLU  10 -16.974  -2.054   6.368
   69   2HB   GLU  10          1HB       GLU  10 -17.692  -1.310   4.939
   70   1HG   GLU  10          2HG       GLU  10 -19.726  -0.782   6.328
   71   2HG   GLU  10          1HG       GLU  10 -18.847  -1.362   7.742
   72    H    PHE  11           H        PHE  11 -18.996  -2.736   3.064
   73    HA   PHE  11           HA       PHE  11 -21.667  -1.583   3.265
   74   1HB   PHE  11          2HB       PHE  11 -19.611  -1.777   1.249
   75   2HB   PHE  11          1HB       PHE  11 -21.151  -2.313   0.579
   76    HD1  PHE  11           HD1      PHE  11 -22.967  -0.632   2.353
   77    HD2  PHE  11           HD2      PHE  11 -19.422   0.357   0.131
   78    HE1  PHE  11           HE1      PHE  11 -23.723   1.717   2.190
   79    HE2  PHE  11           HE2      PHE  11 -20.187   2.708  -0.035
   80    HZ   PHE  11           HZ       PHE  11 -22.337   3.391   0.995
   81    H    GLN  12           H        GLN  12 -20.369  -4.757   2.918
   82    HA   GLN  12           HA       GLN  12 -22.543  -5.998   1.525
   83   1HB   GLN  12          2HB       GLN  12 -20.384  -7.137   1.888
   84   2HB   GLN  12          1HB       GLN  12 -20.689  -7.168   3.625
   85   1HG   GLN  12          2HG       GLN  12 -22.778  -8.483   3.175
   86   2HG   GLN  12          1HG       GLN  12 -22.320  -8.551   1.473
   87   1HE2  GLN  12          1HE2      GLN  12 -22.504 -11.011   2.601
   88   2HE2  GLN  12          2HE2      GLN  12 -20.977 -11.656   2.968
   89    H    ALA  13           H        ALA  13 -22.041  -5.141   4.909
   90    HA   ALA  13           HA       ALA  13 -24.321  -6.590   5.924
   91   1HB   ALA  13          1HB       ALA  13 -23.104  -4.072   7.089
   92   2HB   ALA  13          3HB       ALA  13 -24.002  -5.324   7.947
   93   3HB   ALA  13          2HB       ALA  13 -22.397  -5.674   7.304
   94    H    PHE  14           H        PHE  14 -23.843  -3.353   4.593
   95    HA   PHE  14           HA       PHE  14 -26.530  -2.444   5.238
   96   1HB   PHE  14          2HB       PHE  14 -24.434  -1.406   3.308
   97   2HB   PHE  14          1HB       PHE  14 -25.968  -0.595   3.619
   98    HD1  PHE  14           HD1      PHE  14 -26.498   0.233   5.927
   99    HD2  PHE  14           HD2      PHE  14 -22.625  -1.296   4.871
  100    HE1  PHE  14           HE1      PHE  14 -25.527   1.296   7.947
  101    HE2  PHE  14           HE2      PHE  14 -21.655  -0.233   6.890
  102    HZ   PHE  14           HZ       PHE  14 -23.106   1.062   8.429
  103    H    MET  15           H        MET  15 -25.446  -4.749   3.109
  104    HA   MET  15           HA       MET  15 -27.161  -4.080   0.839
  105   1HB   MET  15          2HB       MET  15 -24.993  -5.495   0.808
  106   2HB   MET  15          1HB       MET  15 -26.006  -6.808   1.409
  107   1HG   MET  15          2HG       MET  15 -26.789  -5.205  -1.026
  108   2HG   MET  15          1HG       MET  15 -25.724  -6.606  -1.153
  109   1HE   MET  15          3HE       MET  15 -26.192  -8.873  -0.412
  110   2HE   MET  15          2HE       MET  15 -26.829  -8.515   1.191
  111   3HE   MET  15          1HE       MET  15 -27.744  -9.551   0.098
  112    H    LYS  16           H        LYS  16 -29.274  -4.678   0.589
  113    HA   LYS  16           HA       LYS  16 -30.358  -6.838   2.325
  114   1HB   LYS  16          2HB       LYS  16 -31.562  -4.065   2.061
  115   2HB   LYS  16          1HB       LYS  16 -32.325  -5.427   2.880
  116   1HG   LYS  16          2HG       LYS  16 -30.268  -5.561   4.355
  117   2HG   LYS  16          1HG       LYS  16 -29.744  -4.036   3.641
  118   1HD   LYS  16          2HD       LYS  16 -31.889  -2.996   4.372
  119   2HD   LYS  16          1HD       LYS  16 -32.328  -4.512   5.159
  120   1HE   LYS  16          2HE       LYS  16 -29.848  -4.128   6.202
  121   2HE   LYS  16          1HE       LYS  16 -30.360  -2.454   5.983
  122   1HZ   LYS  16          2HZ       LYS  16 -32.489  -3.968   7.039
  123   2HZ   LYS  16          1HZ       LYS  16 -31.109  -4.205   8.001
  124   3HZ   LYS  16          3HZ       LYS  16 -31.689  -2.635   7.726
  125    H    ASN  17           H        ASN  17 -31.670  -8.169   1.161
  126    HA   ASN  17           HA       ASN  17 -32.818  -9.021  -0.703
  127   1HB   ASN  17          2HB       ASN  17 -33.822  -6.158  -0.736
  128   2HB   ASN  17          1HB       ASN  17 -34.557  -7.499  -1.614
  129   1HD2  ASN  17          1HD2      ASN  17 -35.996  -6.055   0.416
  130   2HD2  ASN  17          2HD2      ASN  17 -36.270  -7.106   1.720
  131    H    GLY  18           H        GLY  18 -30.156  -8.192  -1.264
  132   1HA   GLY  18          1HA       GLY  18 -30.294  -7.976  -4.138
  133   2HA   GLY  18          2HA       GLY  18 -28.818  -7.910  -3.176
  134    H    LYS  19           H        LYS  19 -29.978  -5.653  -1.545
  135    HA   LYS  19           HA       LYS  19 -29.540  -3.506  -3.581
  136   1HB   LYS  19          2HB       LYS  19 -31.853  -3.339  -3.033
  137   2HB   LYS  19          1HB       LYS  19 -31.546  -3.634  -1.322
  138   1HG   LYS  19          2HG       LYS  19 -32.013  -1.213  -1.913
  139   2HG   LYS  19          1HG       LYS  19 -30.494  -1.485  -1.060
  140   1HD   LYS  19          2HD       LYS  19 -29.314  -0.647  -2.786
  141   2HD   LYS  19          1HD       LYS  19 -30.096  -1.757  -3.912
  142   1HE   LYS  19          2HE       LYS  19 -32.130  -0.022  -3.509
  143   2HE   LYS  19          1HE       LYS  19 -30.764   1.066  -3.260
  144   1HZ   LYS  19          1HZ       LYS  19 -29.939  -0.176  -5.428
  145   2HZ   LYS  19          3HZ       LYS  19 -31.609  -0.337  -5.673
  146   3HZ   LYS  19          2HZ       LYS  19 -30.923   1.207  -5.497
  147    H    LEU  20           H        LEU  20 -27.881  -2.155  -3.053
  148    HA   LEU  20           HA       LEU  20 -26.733  -2.410  -0.314
  149   1HB   LEU  20          2HB       LEU  20 -25.137  -2.938  -2.041
  150   2HB   LEU  20          1HB       LEU  20 -25.552  -1.483  -2.946
  151    HG   LEU  20           HG       LEU  20 -24.810  -0.204  -0.807
  152   1HD1  LEU  20          3HD1      LEU  20 -24.501  -2.839   0.096
  153   2HD1  LEU  20          2HD1      LEU  20 -22.859  -2.269  -0.202
  154   3HD1  LEU  20          1HD1      LEU  20 -23.916  -1.379   0.895
  155   1HD2  LEU  20          3HD2      LEU  20 -23.584  -0.317  -3.006
  156   2HD2  LEU  20          2HD2      LEU  20 -22.528  -0.124  -1.606
  157   3HD2  LEU  20          1HD2      LEU  20 -22.695  -1.703  -2.375
  158    H    PHE  21           H        PHE  21 -27.517  -0.817   1.004
  159    HA   PHE  21           HA       PHE  21 -28.293   1.798  -0.088
  160   1HB   PHE  21          2HB       PHE  21 -28.210   0.708   2.743
  161   2HB   PHE  21          1HB       PHE  21 -28.800   2.316   2.321
  162    HD1  PHE  21           HD1      PHE  21 -30.863   2.603   1.014
  163    HD2  PHE  21           HD2      PHE  21 -29.464  -1.293   2.160
  164    HE1  PHE  21           HE1      PHE  21 -33.077   1.640   0.445
  165    HE2  PHE  21           HE2      PHE  21 -31.678  -2.255   1.592
  166    HZ   PHE  21           HZ       PHE  21 -33.484  -0.789   0.734
  167    H    CYS  22           H        CYS  22 -26.638   3.172  -0.589
  168    HA   CYS  22           HA       CYS  22 -24.261   3.205   1.218
  169   1HB   CYS  22          2HB       CYS  22 -24.451   4.376  -1.564
  170   2HB   CYS  22          1HB       CYS  22 -22.991   4.045  -0.632
  171    HA   PRO  23           HA       PRO  23 -26.559   7.261   1.909
  172   1HB   PRO  23          2HB       PRO  23 -26.661   7.081   4.601
  173   2HB   PRO  23          1HB       PRO  23 -27.908   6.402   3.552
  174   1HG   PRO  23          2HG       PRO  23 -25.624   5.035   4.918
  175   2HG   PRO  23          1HG       PRO  23 -27.295   4.495   4.735
  176   1HD   PRO  23          2HD       PRO  23 -25.277   3.562   3.176
  177   2HD   PRO  23          1HD       PRO  23 -26.939   3.699   2.603
  178    H    GLN  24           H        GLN  24 -25.726   9.068   3.422
  179    HA   GLN  24           HA       GLN  24 -22.785   9.077   3.281
  180   1HB   GLN  24          2HB       GLN  24 -24.861  11.156   3.994
  181   2HB   GLN  24          1HB       GLN  24 -23.136  11.452   4.211
  182   1HG   GLN  24          2HG       GLN  24 -22.769  10.918   1.809
  183   2HG   GLN  24          1HG       GLN  24 -24.509  10.709   1.609
  184   1HE2  GLN  24          1HE2      GLN  24 -23.389  12.679   0.046
  185   2HE2  GLN  24          2HE2      GLN  24 -23.762  14.220   0.652
  186    H    ASP  25           H        ASP  25 -21.436   8.871   5.047
  187    HA   ASP  25           HA       ASP  25 -22.764   8.324   7.658
  188   1HB   ASP  25          2HB       ASP  25 -20.680   7.183   8.268
  189   2HB   ASP  25          1HB       ASP  25 -21.282   6.557   6.734
  190    H    LYS  26           H        LYS  26 -21.529   9.098   9.621
  191    HA   LYS  26           HA       LYS  26 -21.044  11.937   9.416
  192   1HB   LYS  26          2HB       LYS  26 -20.475   9.997  11.679
  193   2HB   LYS  26          1HB       LYS  26 -20.413  11.755  11.815
  194   1HG   LYS  26          2HG       LYS  26 -22.796  11.880  11.153
  195   2HG   LYS  26          1HG       LYS  26 -22.852  10.120  11.048
  196   1HD   LYS  26          2HD       LYS  26 -22.201   9.990  13.452
  197   2HD   LYS  26          1HD       LYS  26 -22.258  11.751  13.537
  198   1HE   LYS  26          2HE       LYS  26 -24.695  10.932  12.348
  199   2HE   LYS  26          1HE       LYS  26 -24.433   9.865  13.727
  200   1HZ   LYS  26          2HZ       LYS  26 -23.725  12.358  14.616
  201   2HZ   LYS  26          1HZ       LYS  26 -25.126  12.627  13.692
  202   3HZ   LYS  26          3HZ       LYS  26 -25.160  11.526  14.982
  203    H    LYS  27           H        LYS  27 -18.980   9.089   9.490
  204    HA   LYS  27           HA       LYS  27 -16.602  10.893   9.294
  205   1HB   LYS  27          2HB       LYS  27 -16.695   9.264  11.239
  206   2HB   LYS  27          1HB       LYS  27 -16.597   7.961  10.055
  207   1HG   LYS  27          2HG       LYS  27 -14.571   9.856   9.404
  208   2HG   LYS  27          1HG       LYS  27 -14.464   9.545  11.137
  209   1HD   LYS  27          2HD       LYS  27 -14.873   7.169   9.399
  210   2HD   LYS  27          1HD       LYS  27 -13.298   7.954   9.287
  211   1HE   LYS  27          2HE       LYS  27 -12.688   6.965  11.214
  212   2HE   LYS  27          1HE       LYS  27 -13.985   7.822  12.048
  213   1HZ   LYS  27          3HZ       LYS  27 -15.196   5.775  10.651
  214   2HZ   LYS  27          2HZ       LYS  27 -13.814   5.081  11.356
  215   3HZ   LYS  27          1HZ       LYS  27 -14.962   5.871  12.328
  216    HA   PRO  28           HA       PRO  28 -16.983   9.180   5.049
  217   1HB   PRO  28          2HB       PRO  28 -15.617  11.201   3.887
  218   2HB   PRO  28          1HB       PRO  28 -17.336  11.303   4.274
  219   1HG   PRO  28          2HG       PRO  28 -14.985  12.382   5.784
  220   2HG   PRO  28          1HG       PRO  28 -16.533  13.159   5.436
  221   1HD   PRO  28          1HD       PRO  28 -15.999  12.038   7.837
  222   2HD   PRO  28          2HD       PRO  28 -17.622  12.044   7.146
  223    H    ILE  29           H        ILE  29 -15.467   7.945   3.957
  224    HA   ILE  29           HA       ILE  29 -12.700   7.970   5.075
  225    HB   ILE  29           HB       ILE  29 -14.091   5.832   5.118
  226   1HG1  ILE  29          2HG1      ILE  29 -11.420   6.005   3.715
  227   2HG1  ILE  29          1HG1      ILE  29 -11.736   5.610   5.402
  228   1HG2  ILE  29          1HG2      ILE  29 -14.424   6.554   2.391
  229   2HG2  ILE  29          3HG2      ILE  29 -13.481   5.066   2.408
  230   3HG2  ILE  29          2HG2      ILE  29 -15.053   5.122   3.205
  231   1HD1  ILE  29          1HD1      ILE  29 -12.965   3.558   4.578
  232   2HD1  ILE  29          3HD1      ILE  29 -12.361   3.932   2.964
  233   3HD1  ILE  29          2HD1      ILE  29 -11.230   3.552   4.264
  234    H    GLN  30           H        GLN  30 -10.914   7.718   3.520
  235    HA   GLN  30           HA       GLN  30 -11.510   9.151   0.986
  236   1HB   GLN  30          2HB       GLN  30  -8.956   8.605   2.514
  237   2HB   GLN  30          1HB       GLN  30  -8.954   9.272   0.881
  238   1HG   GLN  30          2HG       GLN  30 -10.425  11.123   1.674
  239   2HG   GLN  30          1HG       GLN  30 -10.312  10.477   3.312
  240   1HE2  GLN  30          1HE2      GLN  30  -9.360  13.076   2.857
  241   2HE2  GLN  30          2HE2      GLN  30  -7.664  13.089   2.939
  242    H    SER  31           H        SER  31 -11.915   7.838  -0.721
  243    HA   SER  31           HA       SER  31 -10.984   5.068  -0.768
  244   1HB   SER  31          2HB       SER  31 -12.358   4.806  -2.647
  245   2HB   SER  31          1HB       SER  31 -13.188   6.081  -1.755
  246    HG   SER  31           HG       SER  31 -12.108   6.166  -4.201
  247    H    LEU  32           H        LEU  32 -10.013   4.362  -3.044
  248    HA   LEU  32           HA       LEU  32  -7.726   6.210  -3.594
  249   1HB   LEU  32          2HB       LEU  32  -6.611   4.021  -4.396
  250   2HB   LEU  32          1HB       LEU  32  -6.811   4.235  -2.656
  251    HG   LEU  32           HG       LEU  32  -9.121   2.991  -4.012
  252   1HD1  LEU  32          3HD1      LEU  32  -6.909   2.091  -5.112
  253   2HD1  LEU  32          2HD1      LEU  32  -6.717   1.239  -3.580
  254   3HD1  LEU  32          1HD1      LEU  32  -8.141   0.946  -4.579
  255   1HD2  LEU  32          1HD2      LEU  32  -8.858   3.249  -1.545
  256   2HD2  LEU  32          3HD2      LEU  32  -9.041   1.562  -2.028
  257   3HD2  LEU  32          2HD2      LEU  32  -7.447   2.192  -1.611
  258    H    ASP  33           H        ASP  33 -10.529   4.854  -4.905
  259    HA   ASP  33           HA       ASP  33  -9.608   4.590  -7.656
  260   1HB   ASP  33          2HB       ASP  33 -12.349   4.712  -6.384
  261   2HB   ASP  33          1HB       ASP  33 -12.116   4.564  -8.126
  262    H    GLY  34           H        GLY  34  -9.931   7.251  -5.742
  263   1HA   GLY  34          1HA       GLY  34 -10.389   8.984  -8.120
  264   2HA   GLY  34          2HA       GLY  34  -9.545   9.477  -6.652
  265    H    ILE  35           H        ILE  35 -12.079   7.778  -5.506
  266    HA   ILE  35           HA       ILE  35 -13.934  10.125  -5.566
  267    HB   ILE  35           HB       ILE  35 -14.618   7.265  -4.831
  268   1HG1  ILE  35          2HG1      ILE  35 -15.284   8.574  -7.462
  269   2HG1  ILE  35          1HG1      ILE  35 -13.765   7.704  -7.249
  270   1HG2  ILE  35          1HG2      ILE  35 -16.169   9.796  -5.346
  271   2HG2  ILE  35          3HG2      ILE  35 -16.927   8.216  -5.542
  272   3HG2  ILE  35          2HG2      ILE  35 -16.279   8.694  -3.974
  273   1HD1  ILE  35          2HD1      ILE  35 -16.090   6.231  -6.224
  274   2HD1  ILE  35          1HD1      ILE  35 -16.180   6.548  -7.956
  275   3HD1  ILE  35          3HD1      ILE  35 -14.796   5.683  -7.288
  276    H    MET  36           H        MET  36 -15.302  10.195  -3.431
  277    HA   MET  36           HA       MET  36 -13.426   9.766  -1.140
  278   1HB   MET  36          2HB       MET  36 -15.490  11.919  -1.654
  279   2HB   MET  36          1HB       MET  36 -14.776  11.648  -0.064
  280   1HG   MET  36          2HG       MET  36 -13.196  12.206  -2.593
  281   2HG   MET  36          1HG       MET  36 -13.571  13.407  -1.358
  282   1HE   MET  36          3HE       MET  36 -13.483  12.880   0.935
  283   2HE   MET  36          2HE       MET  36 -12.873  11.365   1.594
  284   3HE   MET  36          1HE       MET  36 -11.848  12.798   1.605
  285    H    PHE  37           H        PHE  37 -14.141   7.864  -0.232
  286    HA   PHE  37           HA       PHE  37 -15.552   6.435   0.967
  287   1HB   PHE  37          2HB       PHE  37 -16.180   8.400   2.274
  288   2HB   PHE  37          1HB       PHE  37 -17.351   8.868   1.041
  289    HD1  PHE  37           HD1      PHE  37 -16.574   6.460   3.719
  290    HD2  PHE  37           HD2      PHE  37 -19.435   7.633   0.738
  291    HE1  PHE  37           HE1      PHE  37 -18.274   4.994   4.774
  292    HE2  PHE  37           HE2      PHE  37 -21.135   6.166   1.792
  293    HZ   PHE  37           HZ       PHE  37 -20.554   4.848   3.811
  294    H    ILE  38           H        ILE  38 -17.614   8.413  -1.191
  295    HA   ILE  38           HA       ILE  38 -19.583   6.588  -1.822
  296    HB   ILE  38           HB       ILE  38 -18.088   8.382  -3.759
  297   1HG1  ILE  38          2HG1      ILE  38 -20.683   8.753  -2.234
  298   2HG1  ILE  38          1HG1      ILE  38 -19.156   9.558  -1.871
  299   1HG2  ILE  38          2HG2      ILE  38 -19.583   6.377  -4.623
  300   2HG2  ILE  38          1HG2      ILE  38 -20.907   7.448  -4.165
  301   3HG2  ILE  38          3HG2      ILE  38 -19.722   7.973  -5.361
  302   1HD1  ILE  38          3HD1      ILE  38 -19.180  10.537  -4.173
  303   2HD1  ILE  38          2HD1      ILE  38 -20.769   9.817  -4.427
  304   3HD1  ILE  38          1HD1      ILE  38 -20.551  11.059  -3.195
  305    H    ASN  39           H        ASN  39 -16.200   6.440  -2.706
  306    HA   ASN  39           HA       ASN  39 -16.290   4.559  -4.810
  307   1HB   ASN  39          2HB       ASN  39 -14.241   5.764  -3.805
  308   2HB   ASN  39          1HB       ASN  39 -14.214   4.461  -2.618
  309   1HD2  ASN  39          1HD2      ASN  39 -12.549   3.073  -3.292
  310   2HD2  ASN  39          2HD2      ASN  39 -12.370   2.482  -4.873
  311    H    LYS  40           H        LYS  40 -16.170   3.967  -1.274
  312    HA   LYS  40           HA       LYS  40 -16.049   1.212  -1.200
  313   1HB   LYS  40          2HB       LYS  40 -17.864   3.018   0.421
  314   2HB   LYS  40          1HB       LYS  40 -17.570   1.322   0.804
  315   1HG   LYS  40          2HG       LYS  40 -15.057   1.961   0.730
  316   2HG   LYS  40          1HG       LYS  40 -15.627   3.626   0.859
  317   1HD   LYS  40          2HD       LYS  40 -16.861   3.044   2.916
  318   2HD   LYS  40          1HD       LYS  40 -16.291   1.380   2.788
  319   1HE   LYS  40          2HE       LYS  40 -14.090   3.277   2.606
  320   2HE   LYS  40          1HE       LYS  40 -14.994   3.479   4.107
  321   1HZ   LYS  40          1HZ       LYS  40 -14.286   0.775   3.208
  322   2HZ   LYS  40          3HZ       LYS  40 -13.099   1.732   3.951
  323   3HZ   LYS  40          2HZ       LYS  40 -14.531   1.357   4.785
  324    H    CYS  41           H        CYS  41 -18.927   3.161  -1.882
  325    HA   CYS  41           HA       CYS  41 -20.670   0.878  -2.273
  326   1HB   CYS  41          2HB       CYS  41 -21.375   3.282  -1.768
  327   2HB   CYS  41          1HB       CYS  41 -21.006   3.646  -3.449
  328    H    ALA  42           H        ALA  42 -19.057   3.150  -4.485
  329    HA   ALA  42           HA       ALA  42 -19.824   1.820  -6.896
  330   1HB   ALA  42          1HB       ALA  42 -17.863   3.895  -6.111
  331   2HB   ALA  42          3HB       ALA  42 -17.493   3.017  -7.594
  332   3HB   ALA  42          2HB       ALA  42 -19.021   3.885  -7.441
  333    H    THR  43           H        THR  43 -17.367   1.082  -4.536
  334    HA   THR  43           HA       THR  43 -16.068  -0.797  -6.451
  335    HB   THR  43           HB       THR  43 -14.441  -1.058  -4.451
  336    HG1  THR  43           HG1      THR  43 -15.522  -0.108  -2.828
  337   1HG2  THR  43          2HG2      THR  43 -14.084   0.270  -6.591
  338   2HG2  THR  43          1HG2      THR  43 -14.607   1.694  -5.693
  339   3HG2  THR  43          3HG2      THR  43 -13.158   0.821  -5.196
  340    H    CYS  44           H        CYS  44 -17.756  -0.666  -3.340
  341    HA   CYS  44           HA       CYS  44 -17.481  -3.475  -2.773
  342   1HB   CYS  44          2HB       CYS  44 -18.065  -1.832  -1.024
  343   2HB   CYS  44          1HB       CYS  44 -19.601  -1.523  -1.832
  344    H    LYS  45           H        LYS  45 -19.846  -1.568  -4.585
  345    HA   LYS  45           HA       LYS  45 -21.890  -3.512  -4.812
  346   1HB   LYS  45          2HB       LYS  45 -21.803  -1.063  -5.695
  347   2HB   LYS  45          1HB       LYS  45 -21.082  -1.772  -7.140
  348   1HG   LYS  45          2HG       LYS  45 -23.051  -3.333  -7.271
  349   2HG   LYS  45          1HG       LYS  45 -23.784  -2.441  -5.938
  350   1HD   LYS  45          2HD       LYS  45 -23.809  -0.397  -7.245
  351   2HD   LYS  45          1HD       LYS  45 -22.898  -1.169  -8.544
  352   1HE   LYS  45          2HE       LYS  45 -24.796  -2.810  -8.793
  353   2HE   LYS  45          1HE       LYS  45 -25.711  -1.842  -7.637
  354   1HZ   LYS  45          3HZ       LYS  45 -24.915   0.042  -9.329
  355   2HZ   LYS  45          2HZ       LYS  45 -25.021  -1.273 -10.400
  356   3HZ   LYS  45          1HZ       LYS  45 -26.379  -0.797  -9.496
  357    H    MET  46           H        MET  46 -18.900  -3.124  -6.702
  358    HA   MET  46           HA       MET  46 -19.527  -5.396  -8.426
  359   1HB   MET  46          2HB       MET  46 -16.953  -3.861  -7.950
  360   2HB   MET  46          1HB       MET  46 -17.144  -5.125  -9.165
  361   1HG   MET  46          2HG       MET  46 -19.038  -3.810 -10.152
  362   2HG   MET  46          1HG       MET  46 -18.679  -2.515  -9.010
  363   1HE   MET  46          2HE       MET  46 -16.804  -5.041 -11.245
  364   2HE   MET  46          1HE       MET  46 -17.882  -4.182 -12.343
  365   3HE   MET  46          3HE       MET  46 -16.129  -4.017 -12.510
  366    H    ILE  47           H        ILE  47 -17.526  -4.818  -5.555
  367    HA   ILE  47           HA       ILE  47 -16.559  -7.583  -5.504
  368    HB   ILE  47           HB       ILE  47 -16.419  -5.470  -3.333
  369   1HG1  ILE  47          2HG1      ILE  47 -14.340  -6.138  -5.433
  370   2HG1  ILE  47          1HG1      ILE  47 -15.448  -4.772  -5.564
  371   1HG2  ILE  47          3HG2      ILE  47 -15.254  -8.182  -3.756
  372   2HG2  ILE  47          2HG2      ILE  47 -14.205  -6.959  -3.038
  373   3HG2  ILE  47          1HG2      ILE  47 -15.727  -7.384  -2.256
  374   1HD1  ILE  47          3HD1      ILE  47 -14.426  -4.532  -2.989
  375   2HD1  ILE  47          2HD1      ILE  47 -13.034  -5.056  -3.936
  376   3HD1  ILE  47          1HD1      ILE  47 -13.911  -3.596  -4.392
  377    H    LEU  48           H        LEU  48 -19.463  -6.108  -4.738
  378    HA   LEU  48           HA       LEU  48 -20.063  -7.803  -2.395
  379   1HB   LEU  48          2HB       LEU  48 -20.909  -5.465  -2.508
  380   2HB   LEU  48          1HB       LEU  48 -21.837  -5.888  -3.946
  381    HG   LEU  48           HG       LEU  48 -22.751  -7.819  -2.372
  382   1HD1  LEU  48          1HD1      LEU  48 -21.125  -6.988  -0.548
  383   2HD1  LEU  48          3HD1      LEU  48 -22.239  -5.635  -0.348
  384   3HD1  LEU  48          2HD1      LEU  48 -22.793  -7.285  -0.060
  385   1HD2  LEU  48          1HD2      LEU  48 -23.591  -5.137  -3.043
  386   2HD2  LEU  48          3HD2      LEU  48 -24.577  -6.584  -2.833
  387   3HD2  LEU  48          2HD2      LEU  48 -24.188  -5.573  -1.442
  388    H    GLU  49           H        GLU  49 -20.474  -7.782  -5.837
  389    HA   GLU  49           HA       GLU  49 -22.655  -9.732  -5.851
  390   1HB   GLU  49          2HB       GLU  49 -20.807  -8.750  -8.049
  391   2HB   GLU  49          1HB       GLU  49 -22.187  -9.818  -8.305
  392   1HG   GLU  49          2HG       GLU  49 -22.369  -7.070  -7.035
  393   2HG   GLU  49          1HG       GLU  49 -22.715  -7.404  -8.732
  394    H    LYS  50           H        LYS  50 -19.144  -9.762  -5.993
  395    HA   LYS  50           HA       LYS  50 -18.763 -12.426  -6.923
  396   1HB   LYS  50          2HB       LYS  50 -17.105 -10.815  -4.956
  397   2HB   LYS  50          1HB       LYS  50 -16.569 -12.293  -5.756
  398   1HG   LYS  50          2HG       LYS  50 -16.899 -11.198  -7.960
  399   2HG   LYS  50          1HG       LYS  50 -17.379  -9.714  -7.136
  400   1HD   LYS  50          2HD       LYS  50 -15.162  -9.665  -6.000
  401   2HD   LYS  50          1HD       LYS  50 -14.687 -11.096  -6.915
  402   1HE   LYS  50          2HE       LYS  50 -14.994  -9.875  -9.023
  403   2HE   LYS  50          1HE       LYS  50 -15.536  -8.451  -8.136
  404   1HZ   LYS  50          2HZ       LYS  50 -12.876  -9.722  -7.790
  405   2HZ   LYS  50          1HZ       LYS  50 -13.169  -8.375  -8.785
  406   3HZ   LYS  50          3HZ       LYS  50 -13.404  -8.258  -7.109
  407    H    GLU  51           H        GLU  51 -19.552 -11.132  -3.736
  408    HA   GLU  51           HA       GLU  51 -19.080 -13.455  -2.180
  409   1HB   GLU  51          2HB       GLU  51 -21.269 -11.376  -1.868
  410   2HB   GLU  51          1HB       GLU  51 -20.769 -12.522  -0.624
  411   1HG   GLU  51          2HG       GLU  51 -18.493 -11.572  -0.657
  412   2HG   GLU  51          1HG       GLU  51 -18.984 -10.432  -1.910
  413    H    ALA  52           H        ALA  52 -21.763 -12.583  -4.298
  414    HA   ALA  52           HA       ALA  52 -23.572 -14.646  -3.492
  415   1HB   ALA  52          2HB       ALA  52 -24.022 -14.306  -6.207
  416   2HB   ALA  52          1HB       ALA  52 -24.764 -13.353  -4.922
  417   3HB   ALA  52          3HB       ALA  52 -23.308 -12.767  -5.727
  418    H    LYS  53           H        LYS  53 -20.754 -14.630  -5.578
  419    HA   LYS  53           HA       LYS  53 -21.250 -17.173  -6.845
  420   1HB   LYS  53          2HB       LYS  53 -18.671 -15.662  -6.325
  421   2HB   LYS  53          1HB       LYS  53 -18.787 -17.108  -7.328
  422   1HG   LYS  53          2HG       LYS  53 -20.477 -15.925  -8.748
  423   2HG   LYS  53          1HG       LYS  53 -20.203 -14.467  -7.794
  424   1HD   LYS  53          2HD       LYS  53 -17.777 -14.585  -8.404
  425   2HD   LYS  53          1HD       LYS  53 -18.145 -15.952  -9.455
  426   1HE   LYS  53          2HE       LYS  53 -20.025 -14.063 -10.213
  427   2HE   LYS  53          1HE       LYS  53 -18.590 -13.088  -9.898
  428   1HZ   LYS  53          1HZ       LYS  53 -17.794 -15.389 -11.267
  429   2HZ   LYS  53          3HZ       LYS  53 -19.119 -14.737 -12.100
  430   3HZ   LYS  53          2HZ       LYS  53 -17.748 -13.778 -11.805
  431    H    SER  54           H        SER  54 -19.746 -16.187  -3.813
  432    HA   SER  54           HA       SER  54 -18.534 -18.706  -3.173
  433   1HB   SER  54          2HB       SER  54 -18.400 -17.859  -0.902
  434   2HB   SER  54          1HB       SER  54 -18.061 -16.527  -2.007
  435    HG   SER  54           HG       SER  54 -20.558 -17.104  -0.792
  436    H    GLN  55           H        GLN  55 -21.814 -17.523  -2.985
  437    HA   GLN  55           HA       GLN  55 -22.691 -19.726  -1.245
  438   1HB   GLN  55          2HB       GLN  55 -23.751 -17.448  -1.179
  439   2HB   GLN  55          1HB       GLN  55 -24.371 -17.740  -2.804
  440   1HG   GLN  55          2HG       GLN  55 -26.134 -18.354  -1.305
  441   2HG   GLN  55          1HG       GLN  55 -25.431 -19.868  -1.874
  442   1HE2  GLN  55          1HE2      GLN  55 -24.985 -21.323  -0.219
  443   2HE2  GLN  55          2HE2      GLN  55 -24.644 -20.902   1.390

  No H/Q in entry =         443
  Start of MODEL    6
    1    H1   LYS   1          2H        LYS   1  -0.089  11.150  -9.840
    2    H2   LYS   1          1H        LYS   1   0.110  11.101  -8.153
    3    H3   LYS   1          3H        LYS   1   0.389  12.545  -8.997
    4    HA   LYS   1           HA       LYS   1   2.475  12.006  -9.476
    5   1HB   LYS   1          2HB       LYS   1   1.813   9.697  -7.621
    6   2HB   LYS   1          1HB       LYS   1   3.447  10.184  -8.071
    7   1HG   LYS   1          2HG       LYS   1   2.976  12.460  -7.151
    8   2HG   LYS   1          1HG       LYS   1   1.399  11.881  -6.612
    9   1HD   LYS   1          2HD       LYS   1   2.558  10.116  -5.270
   10   2HD   LYS   1          1HD       LYS   1   4.104  10.824  -5.737
   11   1HE   LYS   1          2HE       LYS   1   2.129  12.734  -4.638
   12   2HE   LYS   1          1HE       LYS   1   2.729  11.536  -3.492
   13   1HZ   LYS   1          2HZ       LYS   1   4.428  13.277  -5.197
   14   2HZ   LYS   1          1HZ       LYS   1   4.115  13.527  -3.546
   15   3HZ   LYS   1          3HZ       LYS   1   4.981  12.157  -4.045
   16    H    ASN   2           H        ASN   2   1.887  11.497 -11.746
   17    HA   ASN   2           HA       ASN   2   2.049  10.124 -13.642
   18   1HB   ASN   2          2HB       ASN   2   3.426   8.221 -11.721
   19   2HB   ASN   2          1HB       ASN   2   3.528   8.187 -13.481
   20   1HD2  ASN   2          1HD2      ASN   2   3.826  10.971 -14.009
   21   2HD2  ASN   2          2HD2      ASN   2   5.302  11.496 -13.355
   22    H    GLU   3           H        GLU   3  -0.400  10.029 -12.354
   23    HA   GLU   3           HA       GLU   3  -1.320   7.477 -11.542
   24   1HB   GLU   3          2HB       GLU   3  -2.607   9.646 -11.401
   25   2HB   GLU   3          1HB       GLU   3  -2.918   9.503 -13.131
   26   1HG   GLU   3          2HG       GLU   3  -3.977   7.289 -12.735
   27   2HG   GLU   3          1HG       GLU   3  -3.711   7.490 -11.003
   28    H    ASP   4           H        ASP   4  -0.877   8.838 -14.781
   29    HA   ASP   4           HA       ASP   4  -2.244   6.852 -16.272
   30   1HB   ASP   4          2HB       ASP   4   0.303   8.320 -17.022
   31   2HB   ASP   4          1HB       ASP   4  -0.780   7.498 -18.144
   32    H    GLN   5           H        GLN   5   0.874   6.777 -14.669
   33    HA   GLN   5           HA       GLN   5   1.998   4.520 -15.997
   34   1HB   GLN   5          2HB       GLN   5   3.211   6.011 -14.376
   35   2HB   GLN   5          1HB       GLN   5   2.310   5.242 -13.068
   36   1HG   GLN   5          2HG       GLN   5   3.238   3.056 -13.687
   37   2HG   GLN   5          1HG       GLN   5   4.097   3.787 -15.043
   38   1HE2  GLN   5          1HE2      GLN   5   5.759   2.531 -13.301
   39   2HE2  GLN   5          2HE2      GLN   5   6.563   3.632 -12.290
   40    H    GLU   6           H        GLU   6  -0.228   4.753 -13.236
   41    HA   GLU   6           HA       GLU   6  -0.266   1.935 -12.664
   42   1HB   GLU   6          2HB       GLU   6  -2.335   4.090 -12.137
   43   2HB   GLU   6          1HB       GLU   6  -2.391   2.463 -11.460
   44   1HG   GLU   6          2HG       GLU   6  -0.173   2.850 -10.407
   45   2HG   GLU   6          1HG       GLU   6  -0.177   4.495 -11.041
   46    H    MET   7           H        MET   7  -2.187   4.005 -14.812
   47    HA   MET   7           HA       MET   7  -4.109   2.000 -15.538
   48   1HB   MET   7          2HB       MET   7  -3.109   4.407 -17.090
   49   2HB   MET   7          1HB       MET   7  -4.529   3.452 -17.518
   50   1HG   MET   7          2HG       MET   7  -4.117   5.021 -14.955
   51   2HG   MET   7          1HG       MET   7  -5.238   5.417 -16.258
   52   1HE   MET   7          3HE       MET   7  -6.401   3.589 -17.335
   53   2HE   MET   7          2HE       MET   7  -6.742   2.002 -16.649
   54   3HE   MET   7          1HE       MET   7  -7.896   3.315 -16.428
   55    H    CYS   8           H        CYS   8  -0.902   2.822 -16.754
   56    HA   CYS   8           HA       CYS   8  -0.918   1.322 -19.153
   57   1HB   CYS   8          2HB       CYS   8   0.940   2.815 -18.522
   58   2HB   CYS   8          1HB       CYS   8   1.377   1.723 -17.208
   59    H    HIS   9           H        HIS   9  -0.217   0.289 -15.820
   60    HA   HIS   9           HA       HIS   9   0.656  -2.309 -16.184
   61   1HB   HIS   9          2HB       HIS   9   0.407  -1.582 -13.944
   62   2HB   HIS   9          1HB       HIS   9  -1.283  -1.144 -14.183
   63    HD1  HIS   9           HD1      HIS   9  -2.860  -3.339 -14.849
   64    HD2  HIS   9           HD2      HIS   9   0.688  -4.075 -12.788
   65    HE1  HIS   9           HE1      HIS   9  -3.084  -5.649 -13.845
   66    H    GLU  10           H        GLU  10  -2.756  -1.241 -16.241
   67    HA   GLU  10           HA       GLU  10  -3.931  -3.750 -16.784
   68   1HB   GLU  10          2HB       GLU  10  -5.178  -1.634 -16.262
   69   2HB   GLU  10          1HB       GLU  10  -4.832  -1.079 -17.900
   70   1HG   GLU  10          2HG       GLU  10  -5.974  -3.101 -18.796
   71   2HG   GLU  10          1HG       GLU  10  -6.372  -3.583 -17.147
   72    H    PHE  11           H        PHE  11  -2.563  -1.350 -19.052
   73    HA   PHE  11           HA       PHE  11  -3.218  -2.993 -21.365
   74   1HB   PHE  11          2HB       PHE  11  -1.968  -0.377 -20.882
   75   2HB   PHE  11          1HB       PHE  11  -1.220  -1.269 -22.204
   76    HD1  PHE  11           HD1      PHE  11  -3.702  -2.831 -23.090
   77    HD2  PHE  11           HD2      PHE  11  -3.104   1.320 -22.145
   78    HE1  PHE  11           HE1      PHE  11  -5.605  -2.223 -24.548
   79    HE2  PHE  11           HE2      PHE  11  -5.009   1.922 -23.604
   80    HZ   PHE  11           HZ       PHE  11  -6.264   0.152 -24.804
   81    H    GLN  12           H        GLN  12  -0.724  -2.979 -19.023
   82    HA   GLN  12           HA       GLN  12   1.482  -3.942 -20.530
   83   1HB   GLN  12          2HB       GLN  12   1.574  -3.261 -18.120
   84   2HB   GLN  12          1HB       GLN  12   0.724  -4.750 -17.707
   85   1HG   GLN  12          2HG       GLN  12   2.559  -6.047 -18.808
   86   2HG   GLN  12          1HG       GLN  12   3.425  -4.533 -19.071
   87   1HE2  GLN  12          1HE2      GLN  12   5.043  -4.345 -17.517
   88   2HE2  GLN  12          2HE2      GLN  12   4.874  -4.751 -15.877
   89    H    ALA  13           H        ALA  13  -1.278  -5.660 -19.091
   90    HA   ALA  13           HA       ALA  13  -0.370  -8.304 -19.717
   91   1HB   ALA  13          1HB       ALA  13  -3.206  -7.246 -19.486
   92   2HB   ALA  13          2HB       ALA  13  -2.235  -7.882 -18.159
   93   3HB   ALA  13          3HB       ALA  13  -2.748  -8.949 -19.466
   94    H    PHE  14           H        PHE  14  -2.078  -5.844 -21.577
   95    HA   PHE  14           HA       PHE  14  -2.559  -7.662 -23.832
   96   1HB   PHE  14          2HB       PHE  14  -2.872  -4.657 -23.553
   97   2HB   PHE  14          1HB       PHE  14  -3.363  -5.587 -24.969
   98    HD1  PHE  14           HD1      PHE  14  -5.172  -7.295 -24.782
   99    HD2  PHE  14           HD2      PHE  14  -4.163  -4.681 -21.526
  100    HE1  PHE  14           HE1      PHE  14  -7.322  -7.843 -23.675
  101    HE2  PHE  14           HE2      PHE  14  -6.313  -5.229 -20.419
  102    HZ   PHE  14           HZ       PHE  14  -7.893  -6.810 -21.494
  103    H    MET  15           H        MET  15   0.133  -6.091 -22.648
  104    HA   MET  15           HA       MET  15   1.282  -5.243 -25.199
  105   1HB   MET  15          2HB       MET  15   1.813  -4.359 -22.795
  106   2HB   MET  15          1HB       MET  15   2.879  -5.760 -22.698
  107   1HG   MET  15          2HG       MET  15   2.974  -3.743 -24.958
  108   2HG   MET  15          1HG       MET  15   3.998  -3.648 -23.526
  109   1HE   MET  15          2HE       MET  15   5.466  -5.455 -22.679
  110   2HE   MET  15          1HE       MET  15   4.398  -6.834 -22.930
  111   3HE   MET  15          3HE       MET  15   6.048  -6.861 -23.568
  112    H    LYS  16           H        LYS  16   2.276  -6.600 -26.619
  113    HA   LYS  16           HA       LYS  16   3.442  -9.136 -25.558
  114   1HB   LYS  16          2HB       LYS  16   1.736  -8.871 -28.052
  115   2HB   LYS  16          1HB       LYS  16   2.546 -10.343 -27.517
  116   1HG   LYS  16          2HG       LYS  16   1.246 -10.230 -25.385
  117   2HG   LYS  16          1HG       LYS  16   0.376  -8.836 -26.026
  118   1HD   LYS  16          2HD       LYS  16  -0.381 -10.224 -27.946
  119   2HD   LYS  16          1HD       LYS  16   0.437 -11.616 -27.239
  120   1HE   LYS  16          2HE       LYS  16  -1.009 -10.894 -25.105
  121   2HE   LYS  16          1HE       LYS  16  -2.057 -10.231 -26.360
  122   1HZ   LYS  16          2HZ       LYS  16  -1.419 -12.660 -27.341
  123   2HZ   LYS  16          1HZ       LYS  16  -1.520 -12.975 -25.675
  124   3HZ   LYS  16          3HZ       LYS  16  -2.845 -12.300 -26.491
  125    H    ASN  17           H        ASN  17   5.233  -9.930 -26.792
  126    HA   ASN  17           HA       ASN  17   7.252  -9.561 -27.945
  127   1HB   ASN  17          2HB       ASN  17   5.281  -8.408 -29.945
  128   2HB   ASN  17          1HB       ASN  17   6.934  -8.906 -30.308
  129   1HD2  ASN  17          1HD2      ASN  17   4.063 -10.013 -31.027
  130   2HD2  ASN  17          2HD2      ASN  17   4.228 -11.679 -30.744
  131    H    GLY  18           H        GLY  18   6.237  -7.373 -26.164
  132   1HA   GLY  18          1HA       GLY  18   8.157  -5.341 -26.966
  133   2HA   GLY  18          2HA       GLY  18   7.095  -5.260 -25.559
  134    H    LYS  19           H        LYS  19   4.766  -5.877 -27.405
  135    HA   LYS  19           HA       LYS  19   4.481  -3.124 -28.543
  136   1HB   LYS  19          2HB       LYS  19   4.689  -5.086 -30.210
  137   2HB   LYS  19          1HB       LYS  19   3.092  -5.569 -29.640
  138   1HG   LYS  19          2HG       LYS  19   2.861  -2.820 -30.109
  139   2HG   LYS  19          1HG       LYS  19   3.826  -3.416 -31.460
  140   1HD   LYS  19          2HD       LYS  19   1.988  -5.347 -31.450
  141   2HD   LYS  19          1HD       LYS  19   1.015  -4.088 -30.689
  142   1HE   LYS  19          2HE       LYS  19   1.657  -2.556 -32.585
  143   2HE   LYS  19          1HE       LYS  19   2.418  -3.939 -33.371
  144   1HZ   LYS  19          2HZ       LYS  19  -0.085  -4.799 -32.623
  145   2HZ   LYS  19          1HZ       LYS  19  -0.330  -3.237 -33.246
  146   3HZ   LYS  19          3HZ       LYS  19   0.432  -4.417 -34.196
  147    H    LEU  20           H        LEU  20   2.483  -2.115 -28.137
  148    HA   LEU  20           HA       LEU  20   0.799  -3.483 -26.101
  149   1HB   LEU  20          2HB       LEU  20   1.539  -1.306 -25.395
  150   2HB   LEU  20          1HB       LEU  20   1.060  -0.582 -26.930
  151    HG   LEU  20           HG       LEU  20  -1.319  -1.277 -26.402
  152   1HD1  LEU  20          2HD1      LEU  20  -0.693  -3.023 -24.740
  153   2HD1  LEU  20          1HD1      LEU  20  -0.129  -1.753 -23.654
  154   3HD1  LEU  20          3HD1      LEU  20  -1.837  -1.855 -24.082
  155   1HD2  LEU  20          1HD2      LEU  20   0.214   0.671 -24.682
  156   2HD2  LEU  20          3HD2      LEU  20  -0.841   1.012 -26.053
  157   3HD2  LEU  20          2HD2      LEU  20  -1.533   0.486 -24.518
  158    H    PHE  21           H        PHE  21  -0.882  -4.585 -26.998
  159    HA   PHE  21           HA       PHE  21  -2.050  -3.696 -29.552
  160   1HB   PHE  21          2HB       PHE  21  -2.691  -6.030 -27.723
  161   2HB   PHE  21          1HB       PHE  21  -3.492  -5.730 -29.265
  162    HD1  PHE  21           HD1      PHE  21  -0.072  -6.112 -27.777
  163    HD2  PHE  21           HD2      PHE  21  -2.573  -6.606 -31.234
  164    HE1  PHE  21           HE1      PHE  21   1.790  -7.241 -28.963
  165    HE2  PHE  21           HE2      PHE  21  -0.711  -7.736 -32.419
  166    HZ   PHE  21           HZ       PHE  21   1.471  -8.054 -31.284
  167    H    CYS  22           H        CYS  22  -3.600  -2.143 -29.520
  168    HA   CYS  22           HA       CYS  22  -5.182  -1.750 -27.041
  169   1HB   CYS  22          2HB       CYS  22  -4.046   0.019 -28.874
  170   2HB   CYS  22          1HB       CYS  22  -5.770   0.072 -29.241
  171    HA   PRO  23           HA       PRO  23  -8.535  -4.046 -28.966
  172   1HB   PRO  23          2HB       PRO  23 -10.321  -3.668 -26.974
  173   2HB   PRO  23          1HB       PRO  23  -9.005  -4.840 -26.873
  174   1HG   PRO  23          2HG       PRO  23  -9.184  -2.082 -25.720
  175   2HG   PRO  23          1HG       PRO  23  -8.568  -3.560 -24.975
  176   1HD   PRO  23          2HD       PRO  23  -6.927  -1.676 -26.014
  177   2HD   PRO  23          1HD       PRO  23  -6.521  -3.393 -26.033
  178    H    GLN  24           H        GLN  24 -11.185  -3.337 -28.603
  179    HA   GLN  24           HA       GLN  24 -11.544  -1.234 -30.492
  180   1HB   GLN  24          2HB       GLN  24 -13.467  -2.435 -28.480
  181   2HB   GLN  24          1HB       GLN  24 -13.950  -1.315 -29.753
  182   1HG   GLN  24          2HG       GLN  24 -13.090  -2.872 -31.459
  183   2HG   GLN  24          1HG       GLN  24 -12.581  -3.988 -30.192
  184   1HE2  GLN  24          1HE2      GLN  24 -14.496  -4.771 -32.182
  185   2HE2  GLN  24          2HE2      GLN  24 -15.997  -4.993 -31.420
  186    H    ASP  25           H        ASP  25 -11.448  -1.236 -26.971
  187    HA   ASP  25           HA       ASP  25 -11.501   0.540 -25.434
  188   1HB   ASP  25          2HB       ASP  25 -10.357   1.947 -27.865
  189   2HB   ASP  25          1HB       ASP  25 -10.376   2.629 -26.239
  190    H    LYS  26           H        LYS  26 -14.001   0.093 -26.354
  191    HA   LYS  26           HA       LYS  26 -15.270   2.245 -27.734
  192   1HB   LYS  26          2HB       LYS  26 -16.331   0.025 -27.318
  193   2HB   LYS  26          1HB       LYS  26 -16.469   0.440 -25.610
  194   1HG   LYS  26          2HG       LYS  26 -17.826   2.434 -26.235
  195   2HG   LYS  26          1HG       LYS  26 -17.741   1.935 -27.924
  196   1HD   LYS  26          2HD       LYS  26 -18.790  -0.253 -27.259
  197   2HD   LYS  26          1HD       LYS  26 -19.010   0.403 -25.637
  198   1HE   LYS  26          2HE       LYS  26 -21.057   0.678 -27.000
  199   2HE   LYS  26          1HE       LYS  26 -20.370   2.241 -26.556
  200   1HZ   LYS  26          1HZ       LYS  26 -19.387   1.106 -29.034
  201   2HZ   LYS  26          3HZ       LYS  26 -21.022   1.555 -29.050
  202   3HZ   LYS  26          2HZ       LYS  26 -19.830   2.705 -28.668
  203    H    LYS  27           H        LYS  27 -14.394   1.800 -24.355
  204    HA   LYS  27           HA       LYS  27 -15.944   3.957 -23.281
  205   1HB   LYS  27          2HB       LYS  27 -14.024   2.088 -22.319
  206   2HB   LYS  27          1HB       LYS  27 -13.457   3.697 -21.870
  207   1HG   LYS  27          2HG       LYS  27 -14.935   3.625 -20.165
  208   2HG   LYS  27          1HG       LYS  27 -16.209   3.767 -21.375
  209   1HD   LYS  27          2HD       LYS  27 -15.926   1.184 -21.626
  210   2HD   LYS  27          1HD       LYS  27 -15.129   1.285 -20.055
  211   1HE   LYS  27          2HE       LYS  27 -17.072   2.072 -18.984
  212   2HE   LYS  27          1HE       LYS  27 -17.812   2.583 -20.501
  213   1HZ   LYS  27          2HZ       LYS  27 -17.843   0.176 -21.127
  214   2HZ   LYS  27          1HZ       LYS  27 -17.408  -0.186 -19.525
  215   3HZ   LYS  27          3HZ       LYS  27 -18.878   0.596 -19.847
  216    HA   PRO  28           HA       PRO  28 -13.765   7.472 -24.911
  217   1HB   PRO  28          2HB       PRO  28 -14.487   9.311 -23.069
  218   2HB   PRO  28          1HB       PRO  28 -15.592   8.709 -24.307
  219   1HG   PRO  28          2HG       PRO  28 -15.348   7.914 -21.431
  220   2HG   PRO  28          1HG       PRO  28 -16.807   8.200 -22.385
  221   1HD   PRO  28          2HD       PRO  28 -15.887   5.707 -21.862
  222   2HD   PRO  28          1HD       PRO  28 -16.736   6.105 -23.356
  223    H    ILE  29           H        ILE  29 -11.661   8.101 -24.693
  224    HA   ILE  29           HA       ILE  29 -10.480   8.047 -21.945
  225    HB   ILE  29           HB       ILE  29  -8.300   7.628 -23.486
  226   1HG1  ILE  29          2HG1      ILE  29  -8.984   5.860 -25.173
  227   2HG1  ILE  29          1HG1      ILE  29 -10.648   6.404 -24.954
  228   1HG2  ILE  29          3HG2      ILE  29  -9.873   6.155 -21.686
  229   2HG2  ILE  29          2HG2      ILE  29  -9.630   5.084 -23.066
  230   3HG2  ILE  29          1HG2      ILE  29  -8.238   5.765 -22.222
  231   1HD1  ILE  29          1HD1      ILE  29  -9.053   8.727 -25.329
  232   2HD1  ILE  29          3HD1      ILE  29  -8.587   7.573 -26.579
  233   3HD1  ILE  29          2HD1      ILE  29 -10.272   8.069 -26.421
  234    H    GLN  30           H        GLN  30  -8.537   9.478 -21.770
  235    HA   GLN  30           HA       GLN  30  -8.417  11.696 -23.728
  236   1HB   GLN  30          2HB       GLN  30 -10.126  12.347 -22.016
  237   2HB   GLN  30          1HB       GLN  30  -8.895  12.163 -20.766
  238   1HG   GLN  30          2HG       GLN  30  -7.538  13.910 -21.786
  239   2HG   GLN  30          1HG       GLN  30  -8.656  14.029 -23.145
  240   1HE2  GLN  30          1HE2      GLN  30  -8.329  16.391 -21.851
  241   2HE2  GLN  30          2HE2      GLN  30  -9.640  16.740 -20.831
  242    H    SER  31           H        SER  31  -6.273  12.144 -24.050
  243    HA   SER  31           HA       SER  31  -4.287  10.865 -22.340
  244   1HB   SER  31          2HB       SER  31  -4.355  11.658 -24.991
  245   2HB   SER  31          1HB       SER  31  -3.272  12.837 -24.250
  246    HG   SER  31           HG       SER  31  -2.613  10.480 -24.982
  247    H    LEU  32           H        LEU  32  -2.875  11.839 -20.933
  248    HA   LEU  32           HA       LEU  32  -3.672  14.479 -19.906
  249   1HB   LEU  32          2HB       LEU  32  -1.541  12.520 -18.992
  250   2HB   LEU  32          1HB       LEU  32  -2.004  13.988 -18.131
  251    HG   LEU  32           HG       LEU  32  -4.365  13.086 -18.046
  252   1HD1  LEU  32          3HD1      LEU  32  -2.942  10.763 -19.323
  253   2HD1  LEU  32          2HD1      LEU  32  -4.337  10.477 -18.285
  254   3HD1  LEU  32          1HD1      LEU  32  -4.506  11.465 -19.736
  255   1HD2  LEU  32          2HD2      LEU  32  -2.122  11.499 -16.771
  256   2HD2  LEU  32          1HD2      LEU  32  -2.948  12.900 -16.089
  257   3HD2  LEU  32          3HD2      LEU  32  -3.812  11.374 -16.282
  258    H    ASP  33           H        ASP  33  -1.344  13.163 -22.051
  259    HA   ASP  33           HA       ASP  33   0.690  15.206 -21.659
  260   1HB   ASP  33          2HB       ASP  33   0.206  13.279 -23.949
  261   2HB   ASP  33          1HB       ASP  33   1.633  14.301 -23.781
  262    H    GLY  34           H        GLY  34  -2.381  15.469 -22.786
  263   1HA   GLY  34          1HA       GLY  34  -1.661  17.833 -24.436
  264   2HA   GLY  34          2HA       GLY  34  -3.236  17.544 -23.695
  265    H    ILE  35           H        ILE  35  -3.102  14.670 -24.629
  266    HA   ILE  35           HA       ILE  35  -3.728  15.188 -27.509
  267    HB   ILE  35           HB       ILE  35  -2.896  12.499 -26.416
  268   1HG1  ILE  35          1HG1      ILE  35  -0.834  14.013 -27.857
  269   2HG1  ILE  35          2HG1      ILE  35  -1.243  14.717 -26.294
  270   1HG2  ILE  35          3HG2      ILE  35  -3.542  13.684 -29.012
  271   2HG2  ILE  35          2HG2      ILE  35  -1.992  12.842 -29.019
  272   3HG2  ILE  35          1HG2      ILE  35  -3.460  11.986 -28.544
  273   1HD1  ILE  35          2HD1      ILE  35  -0.926  12.477 -25.240
  274   2HD1  ILE  35          1HD1      ILE  35  -0.427  11.840 -26.807
  275   3HD1  ILE  35          3HD1      ILE  35   0.547  13.073 -26.006
  276    H    MET  36           H        MET  36  -5.642  14.235 -28.306
  277    HA   MET  36           HA       MET  36  -7.543  13.357 -26.197
  278   1HB   MET  36          2HB       MET  36  -8.021  14.090 -29.104
  279   2HB   MET  36          1HB       MET  36  -9.274  13.733 -27.916
  280   1HG   MET  36          2HG       MET  36  -8.497  15.638 -26.538
  281   2HG   MET  36          1HG       MET  36  -7.264  16.001 -27.746
  282   1HE   MET  36          3HE       MET  36 -10.760  15.369 -26.909
  283   2HE   MET  36          2HE       MET  36 -11.765  16.430 -27.893
  284   3HE   MET  36          1HE       MET  36 -11.193  14.903 -28.560
  285    H    PHE  37           H        PHE  37  -5.370  11.634 -27.293
  286    HA   PHE  37           HA       PHE  37  -6.957   9.574 -28.743
  287   1HB   PHE  37          2HB       PHE  37  -4.778  10.219 -29.722
  288   2HB   PHE  37          1HB       PHE  37  -3.974   9.752 -28.223
  289    HD1  PHE  37           HD1      PHE  37  -5.765   8.533 -31.208
  290    HD2  PHE  37           HD2      PHE  37  -3.735   7.407 -27.594
  291    HE1  PHE  37           HE1      PHE  37  -5.670   6.182 -31.994
  292    HE2  PHE  37           HE2      PHE  37  -3.640   5.057 -28.379
  293    HZ   PHE  37           HZ       PHE  37  -4.607   4.444 -30.579
  294    H    ILE  38           H        ILE  38  -6.492   7.259 -28.026
  295    HA   ILE  38           HA       ILE  38  -7.333   6.756 -25.426
  296    HB   ILE  38           HB       ILE  38  -5.386   5.055 -27.016
  297   1HG1  ILE  38          1HG1      ILE  38  -8.417   4.979 -26.913
  298   2HG1  ILE  38          2HG1      ILE  38  -7.482   5.677 -28.236
  299   1HG2  ILE  38          2HG2      ILE  38  -5.861   4.616 -24.480
  300   2HG2  ILE  38          1HG2      ILE  38  -7.438   4.067 -25.048
  301   3HG2  ILE  38          3HG2      ILE  38  -5.972   3.267 -25.611
  302   1HD1  ILE  38          3HD1      ILE  38  -6.684   2.938 -27.458
  303   2HD1  ILE  38          2HD1      ILE  38  -8.298   3.070 -28.154
  304   3HD1  ILE  38          1HD1      ILE  38  -6.897   3.634 -29.064
  305    H    ASN  39           H        ASN  39  -6.389   7.835 -23.727
  306    HA   ASN  39           HA       ASN  39  -3.649   8.503 -23.470
  307   1HB   ASN  39          2HB       ASN  39  -5.441   9.457 -22.064
  308   2HB   ASN  39          1HB       ASN  39  -5.627   7.908 -21.253
  309   1HD2  ASN  39          1HD2      ASN  39  -2.731   9.876 -22.182
  310   2HD2  ASN  39          2HD2      ASN  39  -2.027   9.832 -20.643
  311    H    LYS  40           H        LYS  40  -5.376   5.787 -21.884
  312    HA   LYS  40           HA       LYS  40  -3.242   4.560 -20.640
  313   1HB   LYS  40          2HB       LYS  40  -5.401   3.135 -22.218
  314   2HB   LYS  40          1HB       LYS  40  -4.404   2.409 -20.958
  315   1HG   LYS  40          2HG       LYS  40  -5.320   3.936 -19.294
  316   2HG   LYS  40          1HG       LYS  40  -6.231   4.793 -20.537
  317   1HD   LYS  40          2HD       LYS  40  -7.439   2.653 -21.042
  318   2HD   LYS  40          1HD       LYS  40  -6.611   1.911 -19.674
  319   1HE   LYS  40          2HE       LYS  40  -8.341   2.660 -18.420
  320   2HE   LYS  40          1HE       LYS  40  -7.619   4.259 -18.597
  321   1HZ   LYS  40          2HZ       LYS  40  -9.558   3.084 -20.512
  322   2HZ   LYS  40          1HZ       LYS  40  -9.983   4.151 -19.261
  323   3HZ   LYS  40          3HZ       LYS  40  -8.960   4.675 -20.508
  324    H    CYS  41           H        CYS  41  -4.227   3.847 -23.994
  325    HA   CYS  41           HA       CYS  41  -1.847   2.316 -24.553
  326   1HB   CYS  41          2HB       CYS  41  -4.175   3.328 -26.066
  327   2HB   CYS  41          1HB       CYS  41  -2.702   3.140 -27.008
  328    H    ALA  42           H        ALA  42  -2.653   5.722 -24.733
  329    HA   ALA  42           HA       ALA  42  -0.348   6.406 -26.392
  330   1HB   ALA  42          1HB       ALA  42  -1.041   8.780 -25.410
  331   2HB   ALA  42          3HB       ALA  42  -1.999   7.998 -26.668
  332   3HB   ALA  42          2HB       ALA  42  -2.513   7.907 -24.983
  333    H    THR  43           H        THR  43  -1.023   6.204 -22.941
  334    HA   THR  43           HA       THR  43   1.647   7.406 -22.387
  335    HB   THR  43           HB       THR  43   0.664   7.116 -19.933
  336    HG1  THR  43           HG1      THR  43  -1.683   7.572 -20.230
  337   1HG2  THR  43          1HG2      THR  43   1.194   9.239 -21.251
  338   2HG2  THR  43          3HG2      THR  43  -0.498   9.237 -21.750
  339   3HG2  THR  43          2HG2      THR  43  -0.082   9.384 -20.042
  340    H    CYS  44           H        CYS  44  -0.262   4.465 -22.034
  341    HA   CYS  44           HA       CYS  44   1.601   3.063 -20.355
  342   1HB   CYS  44          2HB       CYS  44  -0.744   2.317 -20.717
  343   2HB   CYS  44          1HB       CYS  44  -0.344   1.929 -22.390
  344    H    LYS  45           H        LYS  45   1.339   3.526 -23.847
  345    HA   LYS  45           HA       LYS  45   3.234   1.561 -24.664
  346   1HB   LYS  45          2HB       LYS  45   1.696   3.039 -26.124
  347   2HB   LYS  45          1HB       LYS  45   2.960   4.262 -25.988
  348   1HG   LYS  45          2HG       LYS  45   4.606   2.649 -26.891
  349   2HG   LYS  45          1HG       LYS  45   3.330   1.442 -27.046
  350   1HD   LYS  45          2HD       LYS  45   2.119   2.899 -28.611
  351   2HD   LYS  45          1HD       LYS  45   3.354   4.144 -28.427
  352   1HE   LYS  45          2HE       LYS  45   3.719   1.375 -29.605
  353   2HE   LYS  45          1HE       LYS  45   3.828   2.914 -30.460
  354   1HZ   LYS  45          2HZ       LYS  45   5.573   3.197 -28.399
  355   2HZ   LYS  45          1HZ       LYS  45   5.789   1.575 -28.856
  356   3HZ   LYS  45          3HZ       LYS  45   5.989   2.811 -30.000
  357    H    MET  46           H        MET  46   3.696   5.008 -23.840
  358    HA   MET  46           HA       MET  46   6.586   4.852 -24.093
  359   1HB   MET  46          2HB       MET  46   4.854   6.895 -22.664
  360   2HB   MET  46          1HB       MET  46   6.561   7.093 -23.059
  361   1HG   MET  46          2HG       MET  46   4.305   6.706 -25.051
  362   2HG   MET  46          1HG       MET  46   5.167   8.214 -24.743
  363   1HE   MET  46          2HE       MET  46   7.531   8.150 -24.369
  364   2HE   MET  46          1HE       MET  46   8.611   6.819 -24.774
  365   3HE   MET  46          3HE       MET  46   8.389   8.159 -25.907
  366    H    ILE  47           H        ILE  47   4.303   4.009 -21.665
  367    HA   ILE  47           HA       ILE  47   6.271   4.162 -19.474
  368    HB   ILE  47           HB       ILE  47   3.409   3.165 -19.586
  369   1HG1  ILE  47          2HG1      ILE  47   4.486   5.547 -18.082
  370   2HG1  ILE  47          1HG1      ILE  47   4.024   5.683 -19.779
  371   1HG2  ILE  47          3HG2      ILE  47   5.482   3.155 -17.417
  372   2HG2  ILE  47          2HG2      ILE  47   3.793   3.432 -16.987
  373   3HG2  ILE  47          1HG2      ILE  47   4.263   1.938 -17.800
  374   1HD1  ILE  47          2HD1      ILE  47   2.041   4.289 -18.104
  375   2HD1  ILE  47          1HD1      ILE  47   2.295   5.977 -17.662
  376   3HD1  ILE  47          3HD1      ILE  47   1.805   5.560 -19.304
  377    H    LEU  48           H        LEU  48   4.901   1.786 -21.670
  378    HA   LEU  48           HA       LEU  48   5.900  -0.511 -20.174
  379   1HB   LEU  48          2HB       LEU  48   4.879  -0.185 -23.009
  380   2HB   LEU  48          1HB       LEU  48   5.429  -1.729 -22.363
  381    HG   LEU  48           HG       LEU  48   3.065  -0.070 -21.487
  382   1HD1  LEU  48          2HD1      LEU  48   3.049  -1.938 -23.304
  383   2HD1  LEU  48          1HD1      LEU  48   3.190  -3.041 -21.935
  384   3HD1  LEU  48          3HD1      LEU  48   1.801  -1.961 -22.058
  385   1HD2  LEU  48          3HD2      LEU  48   4.514  -2.258 -19.975
  386   2HD2  LEU  48          2HD2      LEU  48   4.146  -0.627 -19.413
  387   3HD2  LEU  48          1HD2      LEU  48   2.846  -1.799 -19.632
  388    H    GLU  49           H        GLU  49   7.156   1.685 -22.574
  389    HA   GLU  49           HA       GLU  49   9.331   0.025 -23.484
  390   1HB   GLU  49          2HB       GLU  49   8.975   3.036 -23.443
  391   2HB   GLU  49          1HB       GLU  49  10.323   2.217 -24.230
  392   1HG   GLU  49          2HG       GLU  49   8.729   0.962 -25.646
  393   2HG   GLU  49          1HG       GLU  49   7.386   1.797 -24.866
  394    H    LYS  50           H        LYS  50   8.957   2.341 -20.825
  395    HA   LYS  50           HA       LYS  50  11.654   2.563 -20.026
  396   1HB   LYS  50          2HB       LYS  50   9.161   2.449 -18.300
  397   2HB   LYS  50          1HB       LYS  50  10.745   2.990 -17.743
  398   1HG   LYS  50          2HG       LYS  50  10.725   4.746 -19.515
  399   2HG   LYS  50          1HG       LYS  50   9.096   4.240 -19.961
  400   1HD   LYS  50          2HD       LYS  50   8.354   4.719 -17.623
  401   2HD   LYS  50          1HD       LYS  50   9.970   5.328 -17.267
  402   1HE   LYS  50          2HE       LYS  50   9.322   6.683 -19.584
  403   2HE   LYS  50          1HE       LYS  50   7.772   6.603 -18.745
  404   1HZ   LYS  50          3HZ       LYS  50   8.942   7.435 -16.739
  405   2HZ   LYS  50          2HZ       LYS  50  10.330   7.675 -17.690
  406   3HZ   LYS  50          1HZ       LYS  50   8.909   8.546 -18.020
  407    H    GLU  51           H        GLU  51   9.338  -0.047 -19.518
  408    HA   GLU  51           HA       GLU  51  10.833  -1.497 -17.554
  409   1HB   GLU  51          2HB       GLU  51   8.904  -2.483 -19.678
  410   2HB   GLU  51          1HB       GLU  51   9.499  -3.460 -18.335
  411   1HG   GLU  51          2HG       GLU  51   8.558  -1.794 -16.744
  412   2HG   GLU  51          1HG       GLU  51   7.907  -0.886 -18.109
  413    H    ALA  52           H        ALA  52  11.105  -1.247 -21.043
  414    HA   ALA  52           HA       ALA  52  12.720  -3.562 -21.499
  415   1HB   ALA  52          2HB       ALA  52  12.320  -2.785 -23.581
  416   2HB   ALA  52          1HB       ALA  52  11.929  -1.177 -22.971
  417   3HB   ALA  52          3HB       ALA  52  13.606  -1.611 -23.301
  418    H    LYS  53           H        LYS  53  13.454  -0.383 -20.220
  419    HA   LYS  53           HA       LYS  53  16.291  -0.434 -20.572
  420   1HB   LYS  53          2HB       LYS  53  14.588   0.877 -18.432
  421   2HB   LYS  53          1HB       LYS  53  16.310   1.184 -18.653
  422   1HG   LYS  53          2HG       LYS  53  15.831   1.881 -21.010
  423   2HG   LYS  53          1HG       LYS  53  14.109   1.695 -20.677
  424   1HD   LYS  53          2HD       LYS  53  14.347   3.342 -18.804
  425   2HD   LYS  53          1HD       LYS  53  16.025   3.593 -19.288
  426   1HE   LYS  53          2HE       LYS  53  14.032   3.815 -21.469
  427   2HE   LYS  53          1HE       LYS  53  13.945   5.074 -20.237
  428   1HZ   LYS  53          1HZ       LYS  53  16.447   4.277 -21.617
  429   2HZ   LYS  53          3HZ       LYS  53  15.476   5.581 -22.100
  430   3HZ   LYS  53          2HZ       LYS  53  16.227   5.602 -20.576
  431    H    SER  54           H        SER  54  14.169  -1.864 -18.144
  432    HA   SER  54           HA       SER  54  16.163  -2.554 -16.223
  433   1HB   SER  54          2HB       SER  54  14.550  -4.149 -15.369
  434   2HB   SER  54          1HB       SER  54  13.673  -2.706 -15.878
  435    HG   SER  54           HG       SER  54  12.757  -3.793 -17.427
  436    H    GLN  55           H        GLN  55  15.286  -3.971 -19.300
  437    HA   GLN  55           HA       GLN  55  17.517  -5.916 -18.945
  438   1HB   GLN  55          2HB       GLN  55  15.318  -7.065 -18.579
  439   2HB   GLN  55          1HB       GLN  55  14.846  -6.595 -20.212
  440   1HG   GLN  55          2HG       GLN  55  16.765  -7.828 -21.135
  441   2HG   GLN  55          1HG       GLN  55  17.273  -8.274 -19.506
  442   1HE2  GLN  55          1HE2      GLN  55  16.751 -10.395 -21.184
  443   2HE2  GLN  55          2HE2      GLN  55  15.270 -11.126 -20.794

  No H/Q in entry =         443
  Start of MODEL    7
    1    H1   LYS   1          3H        LYS   1  16.814  12.762   7.797
    2    H2   LYS   1          2H        LYS   1  17.735  11.339   7.680
    3    H3   LYS   1          1H        LYS   1  16.908  11.704   9.119
    4    HA   LYS   1           HA       LYS   1  18.429  13.216   9.808
    5   1HB   LYS   1          2HB       LYS   1  19.571  11.016   9.450
    6   2HB   LYS   1          1HB       LYS   1  20.084  11.583   7.861
    7   1HG   LYS   1          2HG       LYS   1  21.235  13.504   8.952
    8   2HG   LYS   1          1HG       LYS   1  20.781  12.852  10.527
    9   1HD   LYS   1          2HD       LYS   1  21.988  10.734   9.931
   10   2HD   LYS   1          1HD       LYS   1  22.543  11.517   8.451
   11   1HE   LYS   1          2HE       LYS   1  23.658  13.263   9.775
   12   2HE   LYS   1          1HE       LYS   1  23.074  12.521  11.265
   13   1HZ   LYS   1          3HZ       LYS   1  24.543  10.818   9.405
   14   2HZ   LYS   1          2HZ       LYS   1  25.439  11.978  10.263
   15   3HZ   LYS   1          1HZ       LYS   1  24.530  10.813  11.101
   16    H    ASN   2           H        ASN   2  18.497  15.345   9.276
   17    HA   ASN   2           HA       ASN   2  18.927  17.300   8.053
   18   1HB   ASN   2          2HB       ASN   2  20.688  15.454   6.410
   19   2HB   ASN   2          1HB       ASN   2  20.767  17.216   6.436
   20   1HD2  ASN   2          1HD2      ASN   2  20.506  17.706   9.216
   21   2HD2  ASN   2          2HD2      ASN   2  21.843  17.044  10.025
   22    H    GLU   3           H        GLU   3  16.613  15.768   7.365
   23    HA   GLU   3           HA       GLU   3  16.276  15.227   4.616
   24   1HB   GLU   3          2HB       GLU   3  14.271  16.386   6.577
   25   2HB   GLU   3          1HB       GLU   3  13.862  15.686   5.011
   26   1HG   GLU   3          2HG       GLU   3  14.882  13.538   5.727
   27   2HG   GLU   3          1HG       GLU   3  15.228  14.245   7.306
   28    H    ASP   4           H        ASP   4  16.407  18.287   6.321
   29    HA   ASP   4           HA       ASP   4  15.231  19.970   4.363
   30   1HB   ASP   4          2HB       ASP   4  17.384  20.414   6.428
   31   2HB   ASP   4          1HB       ASP   4  16.879  21.708   5.341
   32    H    GLN   5           H        GLN   5  18.470  18.585   4.582
   33    HA   GLN   5           HA       GLN   5  19.780  20.114   2.607
   34   1HB   GLN   5          2HB       GLN   5  20.830  18.331   4.051
   35   2HB   GLN   5          1HB       GLN   5  20.091  17.124   2.999
   36   1HG   GLN   5          2HG       GLN   5  21.262  18.156   1.053
   37   2HG   GLN   5          1HG       GLN   5  22.059  19.274   2.160
   38   1HE2  GLN   5          1HE2      GLN   5  24.082  18.572   2.849
   39   2HE2  GLN   5          2HE2      GLN   5  24.578  16.951   2.935
   40    H    GLU   6           H        GLU   6  17.447  17.492   2.276
   41    HA   GLU   6           HA       GLU   6  17.820  17.083  -0.551
   42   1HB   GLU   6          2HB       GLU   6  15.393  16.594   1.205
   43   2HB   GLU   6          1HB       GLU   6  15.584  15.995  -0.442
   44   1HG   GLU   6          2HG       GLU   6  17.624  14.768   0.255
   45   2HG   GLU   6          1HG       GLU   6  17.391  15.341   1.906
   46    H    MET   7           H        MET   7  15.718  19.215   1.355
   47    HA   MET   7           HA       MET   7  14.137  20.216  -0.794
   48   1HB   MET   7          2HB       MET   7  15.027  21.496   1.804
   49   2HB   MET   7          1HB       MET   7  13.875  22.248   0.702
   50   1HG   MET   7          2HG       MET   7  12.521  20.093   0.854
   51   2HG   MET   7          1HG       MET   7  13.577  19.631   2.189
   52   1HE   MET   7          3HE       MET   7  14.427  21.468   3.580
   53   2HE   MET   7          2HE       MET   7  13.669  23.043   3.801
   54   3HE   MET   7          1HE       MET   7  13.268  21.720   4.893
   55    H    CYS   8           H        CYS   8  17.399  20.967   0.258
   56    HA   CYS   8           HA       CYS   8  17.681  23.435  -1.180
   57   1HB   CYS   8          2HB       CYS   8  19.256  22.711   0.592
   58   2HB   CYS   8          1HB       CYS   8  19.806  21.397  -0.447
   59    H    HIS   9           H        HIS   9  18.466  20.061  -2.044
   60    HA   HIS   9           HA       HIS   9  19.650  20.397  -4.525
   61   1HB   HIS   9          2HB       HIS   9  19.367  18.164  -3.800
   62   2HB   HIS   9          1HB       HIS   9  17.635  18.372  -3.549
   63    HD1  HIS   9           HD1      HIS   9  16.285  18.956  -5.914
   64    HD2  HIS   9           HD2      HIS   9  19.939  16.975  -6.226
   65    HE1  HIS   9           HE1      HIS   9  16.334  17.906  -8.216
   66    H    GLU  10           H        GLU  10  16.135  20.411  -3.871
   67    HA   GLU  10           HA       GLU  10  15.317  20.919  -6.549
   68   1HB   GLU  10          2HB       GLU  10  14.026  21.636  -3.903
   69   2HB   GLU  10          1HB       GLU  10  13.232  21.849  -5.463
   70   1HG   GLU  10          2HG       GLU  10  13.613  19.409  -5.919
   71   2HG   GLU  10          1HG       GLU  10  14.234  19.244  -4.277
   72    H    PHE  11           H        PHE  11  16.493  23.089  -4.021
   73    HA   PHE  11           HA       PHE  11  15.732  25.493  -5.494
   74   1HB   PHE  11          2HB       PHE  11  16.583  24.929  -2.870
   75   2HB   PHE  11          1HB       PHE  11  17.866  25.908  -3.577
   76    HD1  PHE  11           HD1      PHE  11  15.949  27.334  -5.589
   77    HD2  PHE  11           HD2      PHE  11  15.818  26.694  -1.338
   78    HE1  PHE  11           HE1      PHE  11  14.561  29.369  -5.322
   79    HE2  PHE  11           HE2      PHE  11  14.436  28.731  -1.079
   80    HZ   PHE  11           HZ       PHE  11  13.801  30.065  -3.068
   81    H    GLN  12           H        GLN  12  18.194  23.194  -5.791
   82    HA   GLN  12           HA       GLN  12  20.353  24.919  -6.645
   83   1HB   GLN  12          2HB       GLN  12  19.785  21.985  -7.159
   84   2HB   GLN  12          1HB       GLN  12  21.278  22.798  -7.632
   85   1HG   GLN  12          2HG       GLN  12  21.756  23.362  -5.310
   86   2HG   GLN  12          1HG       GLN  12  20.209  22.690  -4.796
   87   1HE2  GLN  12          1HE2      GLN  12  22.587  21.641  -3.691
   88   2HE2  GLN  12          2HE2      GLN  12  22.838  20.072  -4.286
   89    H    ALA  13           H        ALA  13  17.607  23.406  -8.256
   90    HA   ALA  13           HA       ALA  13  18.531  23.910 -10.947
   91   1HB   ALA  13          2HB       ALA  13  16.498  22.443  -9.929
   92   2HB   ALA  13          1HB       ALA  13  15.608  23.889 -10.404
   93   3HB   ALA  13          3HB       ALA  13  16.535  22.990 -11.606
   94    H    PHE  14           H        PHE  14  17.013  25.848  -8.492
   95    HA   PHE  14           HA       PHE  14  16.192  27.941 -10.392
   96   1HB   PHE  14          2HB       PHE  14  16.215  27.879  -7.359
   97   2HB   PHE  14          1HB       PHE  14  15.531  29.178  -8.337
   98    HD1  PHE  14           HD1      PHE  14  15.163  25.660  -7.291
   99    HD2  PHE  14           HD2      PHE  14  13.469  28.866  -9.594
  100    HE1  PHE  14           HE1      PHE  14  13.042  24.392  -7.496
  101    HE2  PHE  14           HE2      PHE  14  11.348  27.598  -9.798
  102    HZ   PHE  14           HZ       PHE  14  11.134  25.361  -8.749
  103    H    MET  15           H        MET  15  19.118  26.980  -9.399
  104    HA   MET  15           HA       MET  15  20.250  29.544  -8.564
  105   1HB   MET  15          2HB       MET  15  21.125  26.789  -8.724
  106   2HB   MET  15          1HB       MET  15  22.321  27.854  -9.464
  107   1HG   MET  15          2HG       MET  15  22.145  29.309  -7.388
  108   2HG   MET  15          1HG       MET  15  21.188  28.020  -6.659
  109   1HE   MET  15          2HE       MET  15  24.076  29.629  -7.451
  110   2HE   MET  15          1HE       MET  15  25.283  28.850  -6.431
  111   3HE   MET  15          3HE       MET  15  25.213  28.485  -8.160
  112    H    LYS  16           H        LYS  16  21.018  31.104  -9.931
  113    HA   LYS  16           HA       LYS  16  21.556  30.338 -12.766
  114   1HB   LYS  16          2HB       LYS  16  19.254  31.428 -12.371
  115   2HB   LYS  16          1HB       LYS  16  20.151  32.906 -12.024
  116   1HG   LYS  16          2HG       LYS  16  21.270  32.703 -14.245
  117   2HG   LYS  16          1HG       LYS  16  20.272  31.290 -14.588
  118   1HD   LYS  16          2HD       LYS  16  18.239  32.646 -14.374
  119   2HD   LYS  16          1HD       LYS  16  19.207  34.061 -13.959
  120   1HE   LYS  16          2HE       LYS  16  20.258  32.960 -16.376
  121   2HE   LYS  16          1HE       LYS  16  18.510  33.099 -16.561
  122   1HZ   LYS  16          3HZ       LYS  16  20.132  35.310 -15.460
  123   2HZ   LYS  16          2HZ       LYS  16  19.911  35.120 -17.134
  124   3HZ   LYS  16          1HZ       LYS  16  18.571  35.373 -16.121
  125    H    ASN  17           H        ASN  17  23.188  31.582 -13.775
  126    HA   ASN  17           HA       ASN  17  25.255  32.709 -13.745
  127   1HB   ASN  17          2HB       ASN  17  23.565  34.660 -12.151
  128   2HB   ASN  17          1HB       ASN  17  25.084  35.041 -12.963
  129   1HD2  ASN  17          1HD2      ASN  17  24.617  33.471 -15.362
  130   2HD2  ASN  17          2HD2      ASN  17  23.360  34.215 -16.226
  131    H    GLY  18           H        GLY  18  24.713  30.826 -11.488
  132   1HA   GLY  18          1HA       GLY  18  26.975  31.612  -9.829
  133   2HA   GLY  18          2HA       GLY  18  26.003  30.153  -9.627
  134    H    LYS  19           H        LYS  19  23.537  31.950  -9.681
  135    HA   LYS  19           HA       LYS  19  23.761  32.906  -6.855
  136   1HB   LYS  19          2HB       LYS  19  23.539  34.691  -8.704
  137   2HB   LYS  19          1HB       LYS  19  21.894  34.088  -8.912
  138   1HG   LYS  19          2HG       LYS  19  22.213  34.389  -6.138
  139   2HG   LYS  19          1HG       LYS  19  22.962  35.823  -6.841
  140   1HD   LYS  19          2HD       LYS  19  20.745  35.736  -8.356
  141   2HD   LYS  19          1HD       LYS  19  20.117  34.939  -6.914
  142   1HE   LYS  19          2HE       LYS  19  20.314  36.830  -5.617
  143   2HE   LYS  19          1HE       LYS  19  21.727  37.412  -6.496
  144   1HZ   LYS  19          1HZ       LYS  19  19.079  37.313  -7.791
  145   2HZ   LYS  19          3HZ       LYS  19  19.509  38.625  -6.807
  146   3HZ   LYS  19          2HZ       LYS  19  20.427  38.267  -8.191
  147    H    LEU  20           H        LEU  20  21.835  32.589  -5.565
  148    HA   LEU  20           HA       LEU  20  20.118  30.392  -6.617
  149   1HB   LEU  20          2HB       LEU  20  21.206  29.868  -4.510
  150   2HB   LEU  20          1HB       LEU  20  20.637  31.376  -3.795
  151    HG   LEU  20           HG       LEU  20  18.259  30.499  -4.358
  152   1HD1  LEU  20          2HD1      LEU  20  19.858  28.383  -5.389
  153   2HD1  LEU  20          1HD1      LEU  20  18.993  27.754  -3.987
  154   3HD1  LEU  20          3HD1      LEU  20  18.098  28.477  -5.325
  155   1HD2  LEU  20          3HD2      LEU  20  19.268  30.661  -2.069
  156   2HD2  LEU  20          2HD2      LEU  20  18.144  29.310  -2.238
  157   3HD2  LEU  20          1HD2      LEU  20  19.885  29.021  -2.269
  158    H    PHE  21           H        PHE  21  18.428  31.379  -7.696
  159    HA   PHE  21           HA       PHE  21  17.169  33.804  -6.647
  160   1HB   PHE  21          2HB       PHE  21  16.574  31.961  -8.967
  161   2HB   PHE  21          1HB       PHE  21  15.501  33.293  -8.535
  162    HD1  PHE  21           HD1      PHE  21  19.087  32.528  -9.306
  163    HD2  PHE  21           HD2      PHE  21  15.954  35.467  -9.298
  164    HE1  PHE  21           HE1      PHE  21  20.571  34.114 -10.502
  165    HE2  PHE  21           HE2      PHE  21  17.439  37.053 -10.493
  166    HZ   PHE  21           HZ       PHE  21  19.748  36.377 -11.095
  167    H    CYS  22           H        CYS  22  15.997  33.538  -4.795
  168    HA   CYS  22           HA       CYS  22  14.309  31.096  -4.538
  169   1HB   CYS  22          2HB       CYS  22  15.123  33.123  -2.435
  170   2HB   CYS  22          1HB       CYS  22  14.242  31.623  -2.142
  171    HA   PRO  23           HA       PRO  23  11.193  34.389  -5.544
  172   1HB   PRO  23          2HB       PRO  23   9.610  32.753  -6.998
  173   2HB   PRO  23          1HB       PRO  23  10.997  33.599  -7.687
  174   1HG   PRO  23          2HG       PRO  23  10.769  30.759  -6.773
  175   2HG   PRO  23          1HG       PRO  23  11.560  31.403  -8.214
  176   1HD   PRO  23          2HD       PRO  23  12.939  30.692  -5.991
  177   2HD   PRO  23          1HD       PRO  23  13.469  31.990  -7.061
  178    H    GLN  24           H        GLN  24   8.655  34.025  -5.310
  179    HA   GLN  24           HA       GLN  24   8.208  33.031  -2.633
  180   1HB   GLN  24          2HB       GLN  24   6.322  33.931  -4.825
  181   2HB   GLN  24          1HB       GLN  24   5.768  33.434  -3.226
  182   1HG   GLN  24          2HG       GLN  24   7.263  35.164  -2.219
  183   2HG   GLN  24          1HG       GLN  24   7.684  35.703  -3.845
  184   1HE2  GLN  24          1HE2      GLN  24   6.411  37.521  -2.098
  185   2HE2  GLN  24          2HE2      GLN  24   4.824  37.798  -2.635
  186    H    ASP  25           H        ASP  25   7.568  31.009  -2.000
  187    HA   ASP  25           HA       ASP  25   7.569  28.847  -3.921
  188   1HB   ASP  25          2HB       ASP  25   6.750  28.941  -1.003
  189   2HB   ASP  25          1HB       ASP  25   6.884  27.458  -1.948
  190    H    LYS  26           H        LYS  26   5.821  27.722  -4.790
  191    HA   LYS  26           HA       LYS  26   3.325  29.115  -5.052
  192   1HB   LYS  26          2HB       LYS  26   4.003  26.215  -5.629
  193   2HB   LYS  26          1HB       LYS  26   2.544  27.043  -6.173
  194   1HG   LYS  26          2HG       LYS  26   3.960  28.684  -7.391
  195   2HG   LYS  26          1HG       LYS  26   5.396  27.792  -6.890
  196   1HD   LYS  26          2HD       LYS  26   4.471  25.762  -8.022
  197   2HD   LYS  26          1HD       LYS  26   3.126  26.741  -8.607
  198   1HE   LYS  26          2HE       LYS  26   5.135  26.426 -10.198
  199   2HE   LYS  26          1HE       LYS  26   4.540  28.070  -9.968
  200   1HZ   LYS  26          1HZ       LYS  26   6.626  27.062  -8.171
  201   2HZ   LYS  26          3HZ       LYS  26   7.068  27.519  -9.743
  202   3HZ   LYS  26          2HZ       LYS  26   6.333  28.647  -8.706
  203    H    LYS  27           H        LYS  27   4.462  26.599  -2.878
  204    HA   LYS  27           HA       LYS  27   1.859  26.815  -1.426
  205   1HB   LYS  27          2HB       LYS  27   1.956  24.427  -0.909
  206   2HB   LYS  27          1HB       LYS  27   1.996  24.652  -2.658
  207   1HG   LYS  27          2HG       LYS  27   4.672  24.722  -1.513
  208   2HG   LYS  27          1HG       LYS  27   3.845  23.212  -1.130
  209   1HD   LYS  27          2HD       LYS  27   3.208  23.691  -3.810
  210   2HD   LYS  27          1HD       LYS  27   4.910  24.134  -3.680
  211   1HE   LYS  27          2HE       LYS  27   3.605  21.484  -3.068
  212   2HE   LYS  27          1HE       LYS  27   4.971  21.816  -4.132
  213   1HZ   LYS  27          1HZ       LYS  27   6.039  22.670  -1.936
  214   2HZ   LYS  27          3HZ       LYS  27   4.892  21.659  -1.202
  215   3HZ   LYS  27          2HZ       LYS  27   6.025  21.008  -2.288
  216    HA   PRO  28           HA       PRO  28   4.303  27.595   2.181
  217   1HB   PRO  28          2HB       PRO  28   2.819  26.437   4.116
  218   2HB   PRO  28          1HB       PRO  28   2.341  27.931   3.306
  219   1HG   PRO  28          2HG       PRO  28   1.413  25.128   2.821
  220   2HG   PRO  28          1HG       PRO  28   0.468  26.619   2.877
  221   1HD   PRO  28          2HD       PRO  28   1.203  25.446   0.543
  222   2HD   PRO  28          1HD       PRO  28   1.004  27.191   0.707
  223    H    ILE  29           H        ILE  29   6.143  26.620   2.881
  224    HA   ILE  29           HA       ILE  29   6.138  23.639   3.128
  225    HB   ILE  29           HB       ILE  29   7.722  24.151   1.465
  226   1HG1  ILE  29          2HG1      ILE  29   8.604  22.915   3.605
  227   2HG1  ILE  29          1HG1      ILE  29   9.750  23.429   2.369
  228   1HG2  ILE  29          1HG2      ILE  29   8.065  26.642   3.055
  229   2HG2  ILE  29          3HG2      ILE  29   9.480  26.066   2.173
  230   3HG2  ILE  29          2HG2      ILE  29   7.985  26.422   1.307
  231   1HD1  ILE  29          3HD1      ILE  29   9.180  25.498   4.384
  232   2HD1  ILE  29          2HD1      ILE  29   9.940  24.051   5.043
  233   3HD1  ILE  29          1HD1      ILE  29  10.729  24.944   3.747
  234    H    GLN  30           H        GLN  30   6.911  22.744   5.065
  235    HA   GLN  30           HA       GLN  30   6.905  24.536   7.374
  236   1HB   GLN  30          2HB       GLN  30   7.229  21.552   7.037
  237   2HB   GLN  30          1HB       GLN  30   7.400  22.339   8.607
  238   1HG   GLN  30          2HG       GLN  30   5.128  23.363   8.258
  239   2HG   GLN  30          1HG       GLN  30   4.965  22.387   6.800
  240   1HE2  GLN  30          1HE2      GLN  30   3.111  21.949   8.832
  241   2HE2  GLN  30          2HE2      GLN  30   3.420  20.465   9.596
  242    H    SER  31           H        SER  31   8.699  25.675   7.872
  243    HA   SER  31           HA       SER  31  11.348  24.827   6.979
  244   1HB   SER  31          2HB       SER  31  10.463  27.116   8.764
  245   2HB   SER  31          1HB       SER  31  12.099  26.897   8.139
  246    HG   SER  31           HG       SER  31  10.005  26.818   6.313
  247    H    LEU  32           H        LEU  32  13.166  24.499   8.495
  248    HA   LEU  32           HA       LEU  32  12.257  23.383  11.121
  249   1HB   LEU  32          2HB       LEU  32  14.594  22.396   9.464
  250   2HB   LEU  32          1HB       LEU  32  13.957  21.667  10.935
  251    HG   LEU  32           HG       LEU  32  11.746  21.399   9.679
  252   1HD1  LEU  32          2HD1      LEU  32  13.537  22.470   7.543
  253   2HD1  LEU  32          1HD1      LEU  32  12.419  21.182   7.093
  254   3HD1  LEU  32          3HD1      LEU  32  11.802  22.688   7.765
  255   1HD2  LEU  32          1HD2      LEU  32  13.526  19.609  10.096
  256   2HD2  LEU  32          3HD2      LEU  32  12.440  19.312   8.738
  257   3HD2  LEU  32          2HD2      LEU  32  14.074  19.910   8.445
  258    H    ASP  33           H        ASP  33  14.132  25.735   9.619
  259    HA   ASP  33           HA       ASP  33  16.323  25.764  11.561
  260   1HB   ASP  33          2HB       ASP  33  15.424  27.693   9.411
  261   2HB   ASP  33          1HB       ASP  33  16.794  28.019  10.472
  262    H    GLY  34           H        GLY  34  13.203  26.292  12.062
  263   1HA   GLY  34          1HA       GLY  34  13.692  28.603  13.894
  264   2HA   GLY  34          2HA       GLY  34  12.627  27.255  14.299
  265    H    ILE  35           H        ILE  35  12.676  28.396  11.035
  266    HA   ILE  35           HA       ILE  35  10.437  30.254  11.377
  267    HB   ILE  35           HB       ILE  35  11.437  29.086   8.768
  268   1HG1  ILE  35          2HG1      ILE  35  12.495  31.687   9.766
  269   2HG1  ILE  35          1HG1      ILE  35  13.157  30.227  10.501
  270   1HG2  ILE  35          3HG2      ILE  35   9.785  31.416   9.644
  271   2HG2  ILE  35          2HG2      ILE  35  10.822  31.630   8.234
  272   3HG2  ILE  35          1HG2      ILE  35   9.590  30.368   8.239
  273   1HD1  ILE  35          1HD1      ILE  35  12.924  30.452   7.504
  274   2HD1  ILE  35          3HD1      ILE  35  14.297  31.170   8.346
  275   3HD1  ILE  35          2HD1      ILE  35  14.006  29.434   8.455
  276    H    MET  36           H        MET  36   8.405  29.854  10.021
  277    HA   MET  36           HA       MET  36   7.711  26.945  10.031
  278   1HB   MET  36          2HB       MET  36   6.263  29.294  11.202
  279   2HB   MET  36          1HB       MET  36   5.315  27.961  10.543
  280   1HG   MET  36          2HG       MET  36   6.718  26.396  11.957
  281   2HG   MET  36          1HG       MET  36   7.408  27.823  12.730
  282   1HE   MET  36          1HE       MET  36   5.649  29.821  12.899
  283   2HE   MET  36          3HE       MET  36   4.090  29.377  12.190
  284   3HE   MET  36          2HE       MET  36   4.222  29.672  13.921
  285    H    PHE  37           H        PHE  37   8.665  28.266   7.763
  286    HA   PHE  37           HA       PHE  37   6.640  27.717   5.844
  287   1HB   PHE  37          2HB       PHE  37   5.466  29.666   6.558
  288   2HB   PHE  37          1HB       PHE  37   6.950  30.611   6.660
  289    HD1  PHE  37           HD1      PHE  37   6.398  28.275   3.881
  290    HD2  PHE  37           HD2      PHE  37   6.073  32.360   5.168
  291    HE1  PHE  37           HE1      PHE  37   6.107  28.993   1.526
  292    HE2  PHE  37           HE2      PHE  37   5.781  33.079   2.813
  293    HZ   PHE  37           HZ       PHE  37   5.797  31.396   0.992
  294    H    ILE  38           H        ILE  38   8.519  30.643   5.437
  295    HA   ILE  38           HA       ILE  38   9.982  29.507   3.219
  296    HB   ILE  38           HB       ILE  38  11.036  31.653   3.044
  297   1HG1  ILE  38          2HG1      ILE  38  10.046  32.263   5.843
  298   2HG1  ILE  38          1HG1      ILE  38  11.689  31.735   5.483
  299   1HG2  ILE  38          1HG2      ILE  38   8.303  31.342   3.128
  300   2HG2  ILE  38          3HG2      ILE  38   8.552  32.687   4.240
  301   3HG2  ILE  38          2HG2      ILE  38   9.131  32.799   2.578
  302   1HD1  ILE  38          2HD1      ILE  38  11.833  33.689   3.858
  303   2HD1  ILE  38          1HD1      ILE  38  10.315  34.265   4.548
  304   3HD1  ILE  38          3HD1      ILE  38  11.751  34.132   5.563
  305    H    ASN  39           H        ASN  39  12.108  28.769   3.155
  306    HA   ASN  39           HA       ASN  39  14.091  29.153   5.123
  307   1HB   ASN  39          2HB       ASN  39  12.660  27.987   6.689
  308   2HB   ASN  39          1HB       ASN  39  12.420  26.661   5.551
  309   1HD2  ASN  39          1HD2      ASN  39  13.545  24.920   6.487
  310   2HD2  ASN  39          2HD2      ASN  39  15.160  24.991   7.008
  311    H    LYS  40           H        LYS  40  12.683  27.073   2.654
  312    HA   LYS  40           HA       LYS  40  14.759  25.307   2.098
  313   1HB   LYS  40          2HB       LYS  40  13.209  26.906   0.033
  314   2HB   LYS  40          1HB       LYS  40  14.057  25.387  -0.257
  315   1HG   LYS  40          2HG       LYS  40  12.575  24.317   1.479
  316   2HG   LYS  40          1HG       LYS  40  11.654  25.820   1.540
  317   1HD   LYS  40          2HD       LYS  40  11.164  25.625  -0.870
  318   2HD   LYS  40          1HD       LYS  40  12.096  24.129  -0.942
  319   1HE   LYS  40          2HE       LYS  40  10.554  23.082   0.671
  320   2HE   LYS  40          1HE       LYS  40   9.628  24.580   0.766
  321   1HZ   LYS  40          1HZ       LYS  40   9.666  24.198  -1.860
  322   2HZ   LYS  40          3HZ       LYS  40   9.717  22.584  -1.343
  323   3HZ   LYS  40          2HZ       LYS  40   8.441  23.591  -0.850
  324    H    CYS  41           H        CYS  41  14.489  28.712   1.174
  325    HA   CYS  41           HA       CYS  41  17.076  28.803  -0.144
  326   1HB   CYS  41          2HB       CYS  41  15.046  30.423  -0.377
  327   2HB   CYS  41          1HB       CYS  41  15.682  31.178   1.080
  328    H    ALA  42           H        ALA  42  15.815  29.743   3.030
  329    HA   ALA  42           HA       ALA  42  18.239  30.769   4.118
  330   1HB   ALA  42          1HB       ALA  42  16.532  29.340   6.030
  331   2HB   ALA  42          2HB       ALA  42  15.645  30.473   5.010
  332   3HB   ALA  42          3HB       ALA  42  16.996  31.041   5.991
  333    H    THR  43           H        THR  43  17.089  27.475   3.677
  334    HA   THR  43           HA       THR  43  19.413  26.475   5.256
  335    HB   THR  43           HB       THR  43  17.529  24.510   4.122
  336    HG1  THR  43           HG1      THR  43  15.802  25.439   4.817
  337   1HG2  THR  43          3HG2      THR  43  19.409  24.611   6.139
  338   2HG2  THR  43          2HG2      THR  43  17.890  24.721   7.026
  339   3HG2  THR  43          1HG2      THR  43  18.187  23.353   5.953
  340    H    CYS  44           H        CYS  44  18.066  26.599   2.014
  341    HA   CYS  44           HA       CYS  44  19.982  24.656   0.957
  342   1HB   CYS  44          2HB       CYS  44  17.779  24.951  -0.114
  343   2HB   CYS  44          1HB       CYS  44  18.191  26.624  -0.494
  344    H    LYS  45           H        LYS  45  19.794  28.149   1.318
  345    HA   LYS  45           HA       LYS  45  21.867  28.825  -0.531
  346   1HB   LYS  45          2HB       LYS  45  20.325  30.471   0.572
  347   2HB   LYS  45          1HB       LYS  45  21.213  30.230   2.077
  348   1HG   LYS  45          2HG       LYS  45  23.286  30.986   0.988
  349   2HG   LYS  45          1HG       LYS  45  22.420  31.194  -0.534
  350   1HD   LYS  45          2HD       LYS  45  22.499  33.365   0.454
  351   2HD   LYS  45          1HD       LYS  45  20.862  32.776   0.739
  352   1HE   LYS  45          2HE       LYS  45  21.224  32.456   3.004
  353   2HE   LYS  45          1HE       LYS  45  22.954  32.184   2.795
  354   1HZ   LYS  45          1HZ       LYS  45  22.552  34.741   1.926
  355   2HZ   LYS  45          3HZ       LYS  45  21.549  34.620   3.288
  356   3HZ   LYS  45          2HZ       LYS  45  23.208  34.283   3.425
  357    H    MET  46           H        MET  46  21.964  27.968   2.924
  358    HA   MET  46           HA       MET  46  24.882  28.170   3.018
  359   1HB   MET  46          2HB       MET  46  22.878  26.998   4.972
  360   2HB   MET  46          1HB       MET  46  24.601  27.185   5.297
  361   1HG   MET  46          2HG       MET  46  24.387  29.630   4.919
  362   2HG   MET  46          1HG       MET  46  22.655  29.424   4.654
  363   1HE   MET  46          1HE       MET  46  25.545  28.571   6.596
  364   2HE   MET  46          3HE       MET  46  25.315  29.485   8.093
  365   3HE   MET  46          2HE       MET  46  24.910  27.771   8.032
  366    H    ILE  47           H        ILE  47  22.485  25.680   2.444
  367    HA   ILE  47           HA       ILE  47  24.473  23.513   2.640
  368    HB   ILE  47           HB       ILE  47  21.569  23.499   1.759
  369   1HG1  ILE  47          2HG1      ILE  47  22.799  22.512   4.344
  370   2HG1  ILE  47          1HG1      ILE  47  22.075  24.111   4.168
  371   1HG2  ILE  47          1HG2      ILE  47  23.093  21.638   0.883
  372   2HG2  ILE  47          3HG2      ILE  47  23.281  21.140   2.565
  373   3HG2  ILE  47          2HG2      ILE  47  21.687  21.116   1.811
  374   1HD1  ILE  47          2HD1      ILE  47  20.081  22.619   3.136
  375   2HD1  ILE  47          1HD1      ILE  47  20.772  21.436   4.246
  376   3HD1  ILE  47          3HD1      ILE  47  20.195  22.986   4.857
  377    H    LEU  48           H        LEU  48  23.229  25.669   0.270
  378    HA   LEU  48           HA       LEU  48  23.939  23.941  -2.011
  379   1HB   LEU  48          2HB       LEU  48  21.976  25.464  -2.126
  380   2HB   LEU  48          1HB       LEU  48  23.052  26.844  -1.929
  381    HG   LEU  48           HG       LEU  48  24.050  26.519  -4.045
  382   1HD1  LEU  48          1HD1      LEU  48  22.913  23.729  -3.844
  383   2HD1  LEU  48          3HD1      LEU  48  23.444  24.397  -5.388
  384   3HD1  LEU  48          2HD1      LEU  48  24.594  24.214  -4.064
  385   1HD2  LEU  48          2HD2      LEU  48  21.092  26.026  -3.998
  386   2HD2  LEU  48          1HD2      LEU  48  21.984  27.424  -4.602
  387   3HD2  LEU  48          3HD2      LEU  48  21.939  25.933  -5.543
  388    H    GLU  49           H        GLU  49  25.520  26.067   0.097
  389    HA   GLU  49           HA       GLU  49  27.546  26.887  -1.905
  390   1HB   GLU  49          2HB       GLU  49  27.082  27.571   1.005
  391   2HB   GLU  49          1HB       GLU  49  28.550  28.050   0.151
  392   1HG   GLU  49          2HG       GLU  49  27.187  29.230  -1.534
  393   2HG   GLU  49          1HG       GLU  49  25.717  28.740  -0.693
  394    H    LYS  50           H        LYS  50  27.085  24.703   0.807
  395    HA   LYS  50           HA       LYS  50  29.815  24.002   1.261
  396   1HB   LYS  50          2HB       LYS  50  27.292  22.343   1.562
  397   2HB   LYS  50          1HB       LYS  50  28.872  21.886   2.199
  398   1HG   LYS  50          2HG       LYS  50  28.916  23.981   3.534
  399   2HG   LYS  50          1HG       LYS  50  27.309  24.383   2.929
  400   1HD   LYS  50          2HD       LYS  50  26.444  22.261   3.903
  401   2HD   LYS  50          1HD       LYS  50  28.045  21.937   4.567
  402   1HE   LYS  50          2HE       LYS  50  27.706  24.422   5.524
  403   2HE   LYS  50          1HE       LYS  50  26.011  23.950   5.407
  404   1HZ   LYS  50          3HZ       LYS  50  26.681  21.865   6.611
  405   2HZ   LYS  50          2HZ       LYS  50  28.172  22.614   6.929
  406   3HZ   LYS  50          1HZ       LYS  50  26.734  23.290   7.529
  407    H    GLU  51           H        GLU  51  27.424  22.848  -1.082
  408    HA   GLU  51           HA       GLU  51  28.889  20.623  -2.085
  409   1HB   GLU  51          2HB       GLU  51  26.978  22.499  -3.514
  410   2HB   GLU  51          1HB       GLU  51  27.546  20.962  -4.166
  411   1HG   GLU  51          2HG       GLU  51  26.621  19.828  -2.123
  412   2HG   GLU  51          1HG       GLU  51  25.930  21.374  -1.634
  413    H    ALA  52           H        ALA  52  29.115  24.081  -2.754
  414    HA   ALA  52           HA       ALA  52  30.808  23.908  -5.055
  415   1HB   ALA  52          1HB       ALA  52  31.408  26.237  -4.541
  416   2HB   ALA  52          3HB       ALA  52  29.672  25.998  -4.349
  417   3HB   ALA  52          2HB       ALA  52  30.713  26.071  -2.928
  418    H    LYS  53           H        LYS  53  31.414  23.541  -1.636
  419    HA   LYS  53           HA       LYS  53  34.247  23.976  -1.667
  420   1HB   LYS  53          2HB       LYS  53  32.548  22.210   0.122
  421   2HB   LYS  53          1HB       LYS  53  34.237  22.616   0.428
  422   1HG   LYS  53          2HG       LYS  53  33.617  25.033   0.429
  423   2HG   LYS  53          1HG       LYS  53  31.926  24.572   0.232
  424   1HD   LYS  53          2HD       LYS  53  32.097  23.241   2.346
  425   2HD   LYS  53          1HD       LYS  53  33.736  23.855   2.559
  426   1HE   LYS  53          2HE       LYS  53  32.795  26.188   2.479
  427   2HE   LYS  53          1HE       LYS  53  31.179  25.482   2.469
  428   1HZ   LYS  53          3HZ       LYS  53  32.383  24.213   4.528
  429   2HZ   LYS  53          2HZ       LYS  53  33.041  25.775   4.641
  430   3HZ   LYS  53          1HZ       LYS  53  31.357  25.554   4.677
  431    H    SER  54           H        SER  54  32.231  21.203  -2.472
  432    HA   SER  54           HA       SER  54  34.242  19.192  -2.496
  433   1HB   SER  54          2HB       SER  54  32.748  17.945  -3.945
  434   2HB   SER  54          1HB       SER  54  31.770  18.799  -2.752
  435    HG   SER  54           HG       SER  54  30.784  19.495  -4.474
  436    H    GLN  55           H        GLN  55  33.510  21.772  -4.748
  437    HA   GLN  55           HA       GLN  55  35.155  20.663  -6.895
  438   1HB   GLN  55          2HB       GLN  55  33.227  22.207  -7.310
  439   2HB   GLN  55          1HB       GLN  55  34.143  23.499  -6.533
  440   1HG   GLN  55          2HG       GLN  55  35.931  23.252  -8.206
  441   2HG   GLN  55          1HG       GLN  55  35.041  21.936  -8.974
  442   1HE2  GLN  55          1HE2      GLN  55  35.575  24.087 -10.608
  443   2HE2  GLN  55          2HE2      GLN  55  34.179  25.019 -10.859

  No H/Q in entry =         443
  Start of MODEL    8
    1    H1   LYS   1          1H        LYS   1  -9.913  -0.487  -4.946
    2    H2   LYS   1          3H        LYS   1  -9.996  -1.531  -3.612
    3    H3   LYS   1          2H        LYS   1  -9.294  -2.065  -5.063
    4    HA   LYS   1           HA       LYS   1 -11.471  -3.013  -4.884
    5   1HB   LYS   1          2HB       LYS   1 -12.338  -0.122  -4.573
    6   2HB   LYS   1          1HB       LYS   1 -13.440  -1.481  -4.792
    7   1HG   LYS   1          2HG       LYS   1 -12.485  -2.531  -2.735
    8   2HG   LYS   1          1HG       LYS   1 -11.494  -1.091  -2.497
    9   1HD   LYS   1          2HD       LYS   1 -13.592   0.279  -2.454
   10   2HD   LYS   1          1HD       LYS   1 -14.525  -1.216  -2.539
   11   1HE   LYS   1          2HE       LYS   1 -13.179  -1.958  -0.465
   12   2HE   LYS   1          1HE       LYS   1 -12.714  -0.263  -0.318
   13   1HZ   LYS   1          1HZ       LYS   1 -15.480  -0.415  -0.772
   14   2HZ   LYS   1          3HZ       LYS   1 -15.091  -1.465   0.502
   15   3HZ   LYS   1          2HZ       LYS   1 -14.663   0.176   0.595
   16    H    ASN   2           H        ASN   2 -13.278  -2.621  -6.679
   17    HA   ASN   2           HA       ASN   2 -12.090  -2.687  -9.201
   18   1HB   ASN   2          2HB       ASN   2 -14.864  -1.652  -8.537
   19   2HB   ASN   2          1HB       ASN   2 -14.329  -2.203 -10.124
   20   1HD2  ASN   2          1HD2      ASN   2 -12.861  -4.511  -9.441
   21   2HD2  ASN   2          2HD2      ASN   2 -13.896  -5.649  -8.724
   22    H    GLU   3           H        GLU   3 -13.065   0.125  -7.322
   23    HA   GLU   3           HA       GLU   3 -13.043   2.122  -9.299
   24   1HB   GLU   3          2HB       GLU   3 -13.608   2.495  -6.896
   25   2HB   GLU   3          1HB       GLU   3 -11.895   2.360  -6.501
   26   1HG   GLU   3          2HG       GLU   3 -11.454   4.248  -8.112
   27   2HG   GLU   3          1HG       GLU   3 -13.200   4.443  -8.275
   28    H    ASP   4           H        ASP   4 -10.423   0.201  -8.116
   29    HA   ASP   4           HA       ASP   4  -8.279   2.013  -8.811
   30   1HB   ASP   4          2HB       ASP   4  -6.842   0.003  -8.643
   31   2HB   ASP   4          1HB       ASP   4  -7.928   0.135  -7.259
   32    H    GLN   5           H        GLN   5 -10.278  -0.197 -10.616
   33    HA   GLN   5           HA       GLN   5  -8.558  -0.614 -12.864
   34   1HB   GLN   5          2HB       GLN   5 -11.584  -0.521 -12.682
   35   2HB   GLN   5          1HB       GLN   5 -10.692  -1.076 -14.099
   36   1HG   GLN   5          2HG       GLN   5  -9.628  -2.839 -12.760
   37   2HG   GLN   5          1HG       GLN   5 -10.464  -2.267 -11.317
   38   1HE2  GLN   5          1HE2      GLN   5 -10.853  -4.935 -12.289
   39   2HE2  GLN   5          2HE2      GLN   5 -12.449  -5.074 -12.852
   40    H    GLU   6           H        GLU   6 -10.627   2.065 -11.925
   41    HA   GLU   6           HA       GLU   6 -10.629   3.380 -14.495
   42   1HB   GLU   6          2HB       GLU   6 -11.029   4.478 -11.696
   43   2HB   GLU   6          1HB       GLU   6 -11.328   5.385 -13.178
   44   1HG   GLU   6          2HG       GLU   6 -12.678   2.771 -12.434
   45   2HG   GLU   6          1HG       GLU   6 -13.410   4.368 -12.279
   46    H    MET   7           H        MET   7  -8.447   3.395 -11.726
   47    HA   MET   7           HA       MET   7  -6.909   5.688 -12.541
   48   1HB   MET   7          2HB       MET   7  -6.123   3.298 -10.844
   49   2HB   MET   7          1HB       MET   7  -5.187   4.786 -10.989
   50   1HG   MET   7          2HG       MET   7  -6.998   6.086 -10.033
   51   2HG   MET   7          1HG       MET   7  -8.066   4.683 -10.045
   52   1HE   MET   7          2HE       MET   7  -8.097   6.203  -7.909
   53   2HE   MET   7          1HE       MET   7  -8.455   4.714  -7.039
   54   3HE   MET   7          3HE       MET   7  -7.209   5.816  -6.438
   55    H    CYS   8           H        CYS   8  -6.931   2.334 -13.517
   56    HA   CYS   8           HA       CYS   8  -4.297   2.332 -14.721
   57   1HB   CYS   8          2HB       CYS   8  -6.709   0.596 -15.333
   58   2HB   CYS   8          1HB       CYS   8  -5.048   0.264 -15.826
   59    H    HIS   9           H        HIS   9  -7.466   3.391 -15.733
   60    HA   HIS   9           HA       HIS   9  -7.165   3.395 -18.538
   61   1HB   HIS   9          2HB       HIS   9  -9.291   4.029 -17.687
   62   2HB   HIS   9          1HB       HIS   9  -8.595   5.269 -16.645
   63    HD1  HIS   9           HD1      HIS   9  -7.311   7.270 -18.069
   64    HD2  HIS   9           HD2      HIS   9 -10.205   5.052 -20.087
   65    HE1  HIS   9           HE1      HIS   9  -7.966   8.630 -20.099
   66    H    GLU  10           H        GLU  10  -6.250   5.956 -16.210
   67    HA   GLU  10           HA       GLU  10  -4.988   7.610 -18.203
   68   1HB   GLU  10          2HB       GLU  10  -4.639   7.505 -15.192
   69   2HB   GLU  10          1HB       GLU  10  -3.976   8.767 -16.231
   70   1HG   GLU  10          2HG       GLU  10  -6.281   9.284 -17.022
   71   2HG   GLU  10          1HG       GLU  10  -6.912   8.077 -15.902
   72    H    PHE  11           H        PHE  11  -3.788   5.073 -16.017
   73    HA   PHE  11           HA       PHE  11  -1.012   5.517 -16.806
   74   1HB   PHE  11          2HB       PHE  11  -2.227   4.217 -14.686
   75   2HB   PHE  11          1HB       PHE  11  -1.640   2.880 -15.678
   76    HD1  PHE  11           HD1      PHE  11   0.735   4.169 -16.946
   77    HD2  PHE  11           HD2      PHE  11  -0.655   4.263 -12.882
   78    HE1  PHE  11           HE1      PHE  11   3.044   4.612 -16.162
   79    HE2  PHE  11           HE2      PHE  11   1.639   4.717 -12.105
   80    HZ   PHE  11           HZ       PHE  11   3.499   4.887 -13.739
   81    H    GLN  12           H        GLN  12  -3.695   3.938 -18.189
   82    HA   GLN  12           HA       GLN  12  -2.296   1.800 -19.542
   83   1HB   GLN  12          2HB       GLN  12  -4.786   1.885 -19.221
   84   2HB   GLN  12          1HB       GLN  12  -4.848   3.198 -20.397
   85   1HG   GLN  12          2HG       GLN  12  -3.780   1.709 -22.078
   86   2HG   GLN  12          1HG       GLN  12  -3.802   0.395 -20.902
   87   1HE2  GLN  12          1HE2      GLN  12  -5.207  -0.137 -23.188
   88   2HE2  GLN  12          2HE2      GLN  12  -6.880  -0.007 -22.931
   89    H    ALA  13           H        ALA  13  -2.590   5.209 -20.060
   90    HA   ALA  13           HA       ALA  13  -2.000   5.197 -22.896
   91   1HB   ALA  13          2HB       ALA  13  -1.174   7.635 -22.184
   92   2HB   ALA  13          1HB       ALA  13  -2.890   7.241 -22.275
   93   3HB   ALA  13          3HB       ALA  13  -2.068   7.244 -20.715
   94    H    PHE  14           H        PHE  14  -0.099   5.059 -19.960
   95    HA   PHE  14           HA       PHE  14   2.424   5.584 -21.380
   96   1HB   PHE  14          2HB       PHE  14   1.868   4.686 -18.535
   97   2HB   PHE  14          1HB       PHE  14   3.458   5.114 -19.166
   98    HD1  PHE  14           HD1      PHE  14   3.986   7.437 -19.791
   99    HD2  PHE  14           HD2      PHE  14   0.180   6.379 -18.106
  100    HE1  PHE  14           HE1      PHE  14   3.521   9.831 -19.339
  101    HE2  PHE  14           HE2      PHE  14  -0.285   8.772 -17.654
  102    HZ   PHE  14           HZ       PHE  14   1.385  10.498 -18.271
  103    H    MET  15           H        MET  15   0.451   3.100 -21.638
  104    HA   MET  15           HA       MET  15   2.231   0.874 -20.988
  105   1HB   MET  15          2HB       MET  15  -0.500   1.212 -22.081
  106   2HB   MET  15          1HB       MET  15   0.373  -0.201 -22.670
  107   1HG   MET  15          2HG       MET  15   0.849  -0.856 -20.314
  108   2HG   MET  15          1HG       MET  15  -0.098   0.527 -19.762
  109   1HE   MET  15          3HE       MET  15   0.237  -2.828 -20.722
  110   2HE   MET  15          2HE       MET  15  -1.353  -3.554 -20.946
  111   3HE   MET  15          1HE       MET  15  -0.573  -2.726 -22.292
  112    H    LYS  16           H        LYS  16   3.401  -0.384 -22.502
  113    HA   LYS  16           HA       LYS  16   3.433   0.565 -25.319
  114   1HB   LYS  16          2HB       LYS  16   5.253   1.737 -23.983
  115   2HB   LYS  16          1HB       LYS  16   5.988   0.150 -23.747
  116   1HG   LYS  16          2HG       LYS  16   6.083  -0.151 -26.210
  117   2HG   LYS  16          1HG       LYS  16   5.398   1.460 -26.422
  118   1HD   LYS  16          2HD       LYS  16   7.330   2.431 -25.218
  119   2HD   LYS  16          1HD       LYS  16   8.020   0.818 -25.037
  120   1HE   LYS  16          2HE       LYS  16   7.691   0.743 -27.668
  121   2HE   LYS  16          1HE       LYS  16   7.742   2.498 -27.503
  122   1HZ   LYS  16          3HZ       LYS  16   9.800   1.790 -25.974
  123   2HZ   LYS  16          2HZ       LYS  16   9.844   0.537 -27.120
  124   3HZ   LYS  16          1HZ       LYS  16   9.944   2.157 -27.624
  125    H    ASN  17           H        ASN  17   3.437  -1.165 -26.675
  126    HA   ASN  17           HA       ASN  17   3.595  -3.387 -27.410
  127   1HB   ASN  17          2HB       ASN  17   6.040  -2.818 -26.651
  128   2HB   ASN  17          1HB       ASN  17   5.673  -3.879 -25.291
  129   1HD2  ASN  17          1HD2      ASN  17   7.616  -4.935 -26.795
  130   2HD2  ASN  17          2HD2      ASN  17   7.049  -6.133 -27.856
  131    H    GLY  18           H        GLY  18   1.740  -2.696 -25.241
  132   1HA   GLY  18          1HA       GLY  18   1.056  -5.391 -24.414
  133   2HA   GLY  18          2HA       GLY  18   0.213  -3.920 -23.928
  134    H    LYS  19           H        LYS  19   2.690  -2.659 -22.942
  135    HA   LYS  19           HA       LYS  19   2.872  -4.142 -20.363
  136   1HB   LYS  19          2HB       LYS  19   4.876  -4.569 -21.912
  137   2HB   LYS  19          1HB       LYS  19   5.274  -2.867 -21.678
  138   1HG   LYS  19          2HG       LYS  19   4.754  -3.858 -19.100
  139   2HG   LYS  19          1HG       LYS  19   5.713  -5.111 -19.888
  140   1HD   LYS  19          2HD       LYS  19   7.208  -3.115 -20.676
  141   2HD   LYS  19          1HD       LYS  19   6.428  -2.235 -19.362
  142   1HE   LYS  19          2HE       LYS  19   7.816  -4.909 -19.021
  143   2HE   LYS  19          1HE       LYS  19   8.577  -3.353 -18.687
  144   1HZ   LYS  19          1HZ       LYS  19   6.382  -3.045 -17.290
  145   2HZ   LYS  19          3HZ       LYS  19   6.456  -4.738 -17.232
  146   3HZ   LYS  19          2HZ       LYS  19   7.752  -3.812 -16.642
  147    H    LEU  20           H        LEU  20   3.296  -2.746 -18.553
  148    HA   LEU  20           HA       LEU  20   2.611   0.091 -19.108
  149   1HB   LEU  20          2HB       LEU  20   1.254  -1.056 -17.414
  150   2HB   LEU  20          1HB       LEU  20   2.708  -1.467 -16.504
  151    HG   LEU  20           HG       LEU  20   3.189   1.023 -16.362
  152   1HD1  LEU  20          2HD1      LEU  20   0.985   1.084 -18.160
  153   2HD1  LEU  20          1HD1      LEU  20   0.462   1.868 -16.670
  154   3HD1  LEU  20          3HD1      LEU  20   1.893   2.453 -17.518
  155   1HD2  LEU  20          2HD2      LEU  20   0.913  -0.403 -15.059
  156   2HD2  LEU  20          1HD2      LEU  20   2.384   0.253 -14.342
  157   3HD2  LEU  20          3HD2      LEU  20   1.057   1.331 -14.773
  158    H    PHE  21           H        PHE  21   4.409   1.320 -19.471
  159    HA   PHE  21           HA       PHE  21   6.912   0.686 -18.013
  160   1HB   PHE  21          2HB       PHE  21   6.231   2.462 -20.354
  161   2HB   PHE  21          1HB       PHE  21   7.769   2.628 -19.507
  162    HD1  PHE  21           HD1      PHE  21   5.660   0.372 -21.536
  163    HD2  PHE  21           HD2      PHE  21   9.478   0.912 -19.643
  164    HE1  PHE  21           HE1      PHE  21   6.554  -1.572 -22.787
  165    HE2  PHE  21           HE2      PHE  21  10.373  -1.033 -20.894
  166    HZ   PHE  21           HZ       PHE  21   8.911  -2.275 -22.466
  167    H    CYS  22           H        CYS  22   7.037   1.594 -16.017
  168    HA   CYS  22           HA       CYS  22   5.499   3.795 -15.097
  169   1HB   CYS  22          2HB       CYS  22   7.287   2.018 -13.959
  170   2HB   CYS  22          1HB       CYS  22   8.136   3.559 -13.830
  171    HA   PRO  23           HA       PRO  23   7.572   7.157 -17.195
  172   1HB   PRO  23          2HB       PRO  23   6.382   9.173 -15.848
  173   2HB   PRO  23          1HB       PRO  23   5.562   8.249 -17.108
  174   1HG   PRO  23          2HG       PRO  23   5.382   7.977 -14.133
  175   2HG   PRO  23          1HG       PRO  23   4.090   7.918 -15.335
  176   1HD   PRO  23          2HD       PRO  23   5.143   5.681 -14.223
  177   2HD   PRO  23          1HD       PRO  23   4.517   5.714 -15.872
  178    H    GLN  24           H        GLN  24   9.165   8.777 -16.693
  179    HA   GLN  24           HA       GLN  24  10.856   8.175 -14.459
  180   1HB   GLN  24          2HB       GLN  24  11.595   9.267 -16.608
  181   2HB   GLN  24          1HB       GLN  24  10.803  10.746 -16.065
  182   1HG   GLN  24          2HG       GLN  24  12.228  10.782 -14.056
  183   2HG   GLN  24          1HG       GLN  24  13.010   9.289 -14.577
  184   1HE2  GLN  24          1HE2      GLN  24  14.714  11.422 -14.253
  185   2HE2  GLN  24          2HE2      GLN  24  15.184  12.061 -15.753
  186    H    ASP  25           H        ASP  25   8.215  10.436 -14.913
  187    HA   ASP  25           HA       ASP  25   8.771  11.664 -12.261
  188   1HB   ASP  25          2HB       ASP  25   6.996  13.275 -12.896
  189   2HB   ASP  25          1HB       ASP  25   8.271  13.207 -14.113
  190    H    LYS  26           H        LYS  26   6.610  12.082 -10.980
  191    HA   LYS  26           HA       LYS  26   4.970   9.581 -11.088
  192   1HB   LYS  26          2HB       LYS  26   5.872  11.109  -8.626
  193   2HB   LYS  26          1HB       LYS  26   4.824   9.690  -8.623
  194   1HG   LYS  26          2HG       LYS  26   6.634   8.378  -9.706
  195   2HG   LYS  26          1HG       LYS  26   7.682   9.796  -9.639
  196   1HD   LYS  26          2HD       LYS  26   7.468   9.826  -7.173
  197   2HD   LYS  26          1HD       LYS  26   6.443   8.394  -7.250
  198   1HE   LYS  26          2HE       LYS  26   8.873   7.912  -6.738
  199   2HE   LYS  26          1HE       LYS  26   8.245   7.065  -8.152
  200   1HZ   LYS  26          2HZ       LYS  26   9.395   9.695  -8.621
  201   2HZ   LYS  26          1HZ       LYS  26  10.488   8.468  -8.188
  202   3HZ   LYS  26          3HZ       LYS  26   9.501   8.279  -9.554
  203    H    LYS  27           H        LYS  27   2.761   9.884 -10.982
  204    HA   LYS  27           HA       LYS  27   1.771  12.624 -11.252
  205   1HB   LYS  27          2HB       LYS  27   0.242  10.009 -11.071
  206   2HB   LYS  27          1HB       LYS  27  -0.414  11.561 -11.592
  207   1HG   LYS  27          2HG       LYS  27   1.805  11.288 -13.209
  208   2HG   LYS  27          1HG       LYS  27   1.227   9.627 -13.080
  209   1HD   LYS  27          2HD       LYS  27  -0.559  11.972 -13.781
  210   2HD   LYS  27          1HD       LYS  27   0.203  10.932 -14.984
  211   1HE   LYS  27          2HE       LYS  27  -1.166   9.151 -14.507
  212   2HE   LYS  27          1HE       LYS  27  -1.285   9.567 -12.798
  213   1HZ   LYS  27          1HZ       LYS  27  -2.483  11.650 -14.096
  214   2HZ   LYS  27          3HZ       LYS  27  -3.003  10.286 -14.961
  215   3HZ   LYS  27          2HZ       LYS  27  -3.275  10.383 -13.287
  216    HA   PRO  28           HA       PRO  28   1.024  13.203  -6.889
  217   1HB   PRO  28          2HB       PRO  28  -0.585  15.365  -7.090
  218   2HB   PRO  28          1HB       PRO  28   1.164  15.447  -7.315
  219   1HG   PRO  28          2HG       PRO  28  -1.009  15.317  -9.373
  220   2HG   PRO  28          1HG       PRO  28   0.434  16.334  -9.346
  221   1HD   PRO  28          1HD       PRO  28   0.296  14.087 -10.839
  222   2HD   PRO  28          2HD       PRO  28   1.805  14.631 -10.104
  223    H    ILE  29           H        ILE  29  -0.328  11.080  -7.145
  224    HA   ILE  29           HA       ILE  29  -3.179  11.789  -6.608
  225    HB   ILE  29           HB       ILE  29  -2.731  10.730  -8.916
  226   1HG1  ILE  29          2HG1      ILE  29  -4.957  10.834  -7.822
  227   2HG1  ILE  29          1HG1      ILE  29  -4.755   9.352  -8.755
  228   1HG2  ILE  29          1HG2      ILE  29  -1.097   9.042  -7.924
  229   2HG2  ILE  29          3HG2      ILE  29  -2.500   8.209  -7.254
  230   3HG2  ILE  29          2HG2      ILE  29  -2.321   8.369  -9.000
  231   1HD1  ILE  29          3HD1      ILE  29  -3.815   8.477  -6.396
  232   2HD1  ILE  29          2HD1      ILE  29  -4.904   9.731  -5.802
  233   3HD1  ILE  29          1HD1      ILE  29  -5.532   8.418  -6.799
  234    H    GLN  30           H        GLN  30  -3.839  11.023  -4.655
  235    HA   GLN  30           HA       GLN  30  -2.064   9.274  -3.115
  236   1HB   GLN  30          2HB       GLN  30  -4.812  10.395  -2.480
  237   2HB   GLN  30          1HB       GLN  30  -3.784   9.529  -1.338
  238   1HG   GLN  30          2HG       GLN  30  -2.033  11.245  -1.607
  239   2HG   GLN  30          1HG       GLN  30  -3.051  12.107  -2.761
  240   1HE2  GLN  30          1HE2      GLN  30  -2.137  13.218  -0.211
  241   2HE2  GLN  30          2HE2      GLN  30  -3.519  13.509   0.731
  242    H    SER  31           H        SER  31  -2.092   7.130  -3.593
  243    HA   SER  31           HA       SER  31  -4.449   5.879  -4.773
  244   1HB   SER  31          2HB       SER  31  -1.758   5.366  -4.890
  245   2HB   SER  31          1HB       SER  31  -2.317   4.113  -3.771
  246    HG   SER  31           HG       SER  31  -3.554   4.686  -6.253
  247    H    LEU  32           H        LEU  32  -4.725   3.438  -3.645
  248    HA   LEU  32           HA       LEU  32  -5.172   3.914  -0.733
  249   1HB   LEU  32          2HB       LEU  32  -7.435   2.925  -0.943
  250   2HB   LEU  32          1HB       LEU  32  -7.285   4.402  -1.896
  251    HG   LEU  32           HG       LEU  32  -6.457   2.537  -3.709
  252   1HD1  LEU  32          1HD1      LEU  32  -8.629   1.245  -2.030
  253   2HD1  LEU  32          3HD1      LEU  32  -8.032   0.639  -3.576
  254   3HD1  LEU  32          2HD1      LEU  32  -6.964   0.679  -2.173
  255   1HD2  LEU  32          3HD2      LEU  32  -8.165   4.333  -4.005
  256   2HD2  LEU  32          2HD2      LEU  32  -8.657   2.803  -4.731
  257   3HD2  LEU  32          1HD2      LEU  32  -9.344   3.307  -3.187
  258    H    ASP  33           H        ASP  33  -3.774   1.966  -2.997
  259    HA   ASP  33           HA       ASP  33  -4.487  -0.624  -1.808
  260   1HB   ASP  33          2HB       ASP  33  -3.942  -0.455  -4.211
  261   2HB   ASP  33          1HB       ASP  33  -2.322   0.105  -3.797
  262    H    GLY  34           H        GLY  34  -2.851   1.788  -0.520
  263   1HA   GLY  34          1HA       GLY  34  -0.927  -0.033   0.847
  264   2HA   GLY  34          2HA       GLY  34  -1.560   1.467   1.529
  265    H    ILE  35           H        ILE  35  -0.774   1.709  -1.771
  266    HA   ILE  35           HA       ILE  35   1.945   2.768  -1.153
  267    HB   ILE  35           HB       ILE  35   0.686   2.053  -3.822
  268   1HG1  ILE  35          2HG1      ILE  35   3.020   0.570  -2.762
  269   2HG1  ILE  35          1HG1      ILE  35   1.500   0.299  -1.909
  270   1HG2  ILE  35          1HG2      ILE  35   3.339   3.190  -2.989
  271   2HG2  ILE  35          3HG2      ILE  35   3.248   2.147  -4.409
  272   3HG2  ILE  35          2HG2      ILE  35   2.315   3.643  -4.351
  273   1HD1  ILE  35          3HD1      ILE  35   1.496   0.247  -4.907
  274   2HD1  ILE  35          2HD1      ILE  35   2.123  -1.154  -4.038
  275   3HD1  ILE  35          1HD1      ILE  35   0.462  -0.622  -3.772
  276    H    MET  36           H        MET  36   2.515   4.868  -2.203
  277    HA   MET  36           HA       MET  36   0.090   6.604  -2.396
  278   1HB   MET  36          2HB       MET  36   2.911   7.532  -1.833
  279   2HB   MET  36          1HB       MET  36   1.406   8.414  -1.573
  280   1HG   MET  36          2HG       MET  36   0.741   6.679   0.108
  281   2HG   MET  36          1HG       MET  36   2.329   5.935  -0.089
  282   1HE   MET  36          1HE       MET  36   4.374   7.973  -0.417
  283   2HE   MET  36          3HE       MET  36   4.834   8.431   1.229
  284   3HE   MET  36          2HE       MET  36   4.483   6.748   0.844
  285    H    PHE  37           H        PHE  37  -0.369   7.382  -4.367
  286    HA   PHE  37           HA       PHE  37  -0.133   8.046  -6.595
  287   1HB   PHE  37          2HB       PHE  37   2.743   8.672  -6.325
  288   2HB   PHE  37          1HB       PHE  37   1.424   9.666  -6.931
  289    HD1  PHE  37           HD1      PHE  37  -0.127  10.798  -5.316
  290    HD2  PHE  37           HD2      PHE  37   3.446   8.792  -4.041
  291    HE1  PHE  37           HE1      PHE  37  -0.250  11.973  -3.142
  292    HE2  PHE  37           HE2      PHE  37   3.331   9.969  -1.865
  293    HZ   PHE  37           HZ       PHE  37   1.483  11.563  -1.412
  294    H    ILE  38           H        ILE  38   3.208   6.918  -6.069
  295    HA   ILE  38           HA       ILE  38   3.577   5.639  -8.495
  296    HB   ILE  38           HB       ILE  38   5.311   4.357  -7.489
  297   1HG1  ILE  38          1HG1      ILE  38   3.875   4.710  -4.840
  298   2HG1  ILE  38          2HG1      ILE  38   3.854   3.237  -5.809
  299   1HG2  ILE  38          2HG2      ILE  38   5.160   7.015  -7.085
  300   2HG2  ILE  38          1HG2      ILE  38   5.213   6.481  -5.405
  301   3HG2  ILE  38          3HG2      ILE  38   6.518   6.047  -6.511
  302   1HD1  ILE  38          2HD1      ILE  38   6.384   3.232  -5.677
  303   2HD1  ILE  38          1HD1      ILE  38   6.257   4.544  -4.505
  304   3HD1  ILE  38          3HD1      ILE  38   5.569   2.962  -4.137
  305    H    ASN  39           H        ASN  39   1.575   4.606  -5.839
  306    HA   ASN  39           HA       ASN  39   1.206   1.902  -6.189
  307   1HB   ASN  39          2HB       ASN  39  -0.103   3.496  -4.667
  308   2HB   ASN  39          1HB       ASN  39  -1.145   3.790  -6.057
  309   1HD2  ASN  39          1HD2      ASN  39  -3.002   2.514  -5.864
  310   2HD2  ASN  39          2HD2      ASN  39  -3.022   0.903  -5.334
  311    H    LYS  40           H        LYS  40  -0.802   4.283  -7.963
  312    HA   LYS  40           HA       LYS  40  -2.123   2.717  -9.747
  313   1HB   LYS  40          2HB       LYS  40  -0.634   5.271 -10.398
  314   2HB   LYS  40          1HB       LYS  40  -1.834   4.533 -11.460
  315   1HG   LYS  40          2HG       LYS  40  -3.437   4.618  -9.468
  316   2HG   LYS  40          1HG       LYS  40  -2.254   5.668  -8.689
  317   1HD   LYS  40          2HD       LYS  40  -2.411   7.275 -10.508
  318   2HD   LYS  40          1HD       LYS  40  -3.466   6.194 -11.418
  319   1HE   LYS  40          2HE       LYS  40  -5.110   6.316  -9.514
  320   2HE   LYS  40          1HE       LYS  40  -4.085   7.548  -8.777
  321   1HZ   LYS  40          2HZ       LYS  40  -5.208   7.747 -11.516
  322   2HZ   LYS  40          1HZ       LYS  40  -5.926   8.447 -10.145
  323   3HZ   LYS  40          3HZ       LYS  40  -4.391   8.960 -10.651
  324    H    CYS  41           H        CYS  41   1.287   3.637 -10.118
  325    HA   CYS  41           HA       CYS  41   1.677   2.218 -12.594
  326   1HB   CYS  41          2HB       CYS  41   3.184   4.019 -11.555
  327   2HB   CYS  41          1HB       CYS  41   3.797   2.748 -10.517
  328    H    ALA  42           H        ALA  42   2.582   1.397  -9.236
  329    HA   ALA  42           HA       ALA  42   3.300  -1.331  -9.978
  330   1HB   ALA  42          2HB       ALA  42   3.122   0.201  -7.397
  331   2HB   ALA  42          1HB       ALA  42   3.319  -1.552  -7.376
  332   3HB   ALA  42          3HB       ALA  42   4.534  -0.537  -8.154
  333    H    THR  43           H        THR  43   0.325   0.156  -9.529
  334    HA   THR  43           HA       THR  43  -0.903  -2.342  -8.449
  335    HB   THR  43           HB       THR  43  -2.122   0.417  -8.781
  336    HG1  THR  43           HG1      THR  43  -0.358  -0.174  -7.126
  337   1HG2  THR  43          2HG2      THR  43  -3.175  -2.233  -8.059
  338   2HG2  THR  43          1HG2      THR  43  -3.573  -0.967  -6.897
  339   3HG2  THR  43          3HG2      THR  43  -4.034  -0.787  -8.590
  340    H    CYS  44           H        CYS  44  -0.963  -0.093 -11.176
  341    HA   CYS  44           HA       CYS  44  -3.059  -1.659 -12.527
  342   1HB   CYS  44          2HB       CYS  44  -1.488   0.819 -13.227
  343   2HB   CYS  44          1HB       CYS  44  -2.487  -0.002 -14.428
  344    H    LYS  45           H        LYS  45   0.413  -1.457 -12.428
  345    HA   LYS  45           HA       LYS  45   1.183  -2.454 -14.922
  346   1HB   LYS  45          2HB       LYS  45   2.730  -1.885 -13.013
  347   2HB   LYS  45          1HB       LYS  45   2.292  -3.424 -12.270
  348   1HG   LYS  45          2HG       LYS  45   3.134  -4.642 -14.214
  349   2HG   LYS  45          1HG       LYS  45   3.486  -3.126 -15.043
  350   1HD   LYS  45          2HD       LYS  45   5.053  -2.534 -13.179
  351   2HD   LYS  45          1HD       LYS  45   4.772  -4.131 -12.486
  352   1HE   LYS  45          2HE       LYS  45   5.660  -5.206 -14.480
  353   2HE   LYS  45          1HE       LYS  45   5.813  -3.648 -15.293
  354   1HZ   LYS  45          2HZ       LYS  45   7.185  -3.189 -13.059
  355   2HZ   LYS  45          1HZ       LYS  45   7.492  -4.849 -13.256
  356   3HZ   LYS  45          3HZ       LYS  45   7.895  -3.760 -14.493
  357    H    MET  46           H        MET  46   0.142  -4.355 -12.077
  358    HA   MET  46           HA       MET  46   0.136  -6.854 -13.559
  359   1HB   MET  46          2HB       MET  46  -1.191  -6.114 -10.930
  360   2HB   MET  46          1HB       MET  46  -1.017  -7.754 -11.556
  361   1HG   MET  46          2HG       MET  46   1.452  -7.461 -11.566
  362   2HG   MET  46          1HG       MET  46   1.248  -5.853 -10.873
  363   1HE   MET  46          2HE       MET  46   2.968  -6.748  -9.610
  364   2HE   MET  46          1HE       MET  46   2.508  -6.707  -7.910
  365   3HE   MET  46          3HE       MET  46   2.961  -8.238  -8.671
  366    H    ILE  47           H        ILE  47  -2.130  -4.263 -12.998
  367    HA   ILE  47           HA       ILE  47  -4.484  -5.773 -13.813
  368    HB   ILE  47           HB       ILE  47  -4.024  -2.775 -13.683
  369   1HG1  ILE  47          2HG1      ILE  47  -5.374  -4.614 -11.686
  370   2HG1  ILE  47          1HG1      ILE  47  -3.714  -4.040 -11.525
  371   1HG2  ILE  47          3HG2      ILE  47  -6.369  -4.505 -14.314
  372   2HG2  ILE  47          2HG2      ILE  47  -6.663  -3.098 -13.291
  373   3HG2  ILE  47          1HG2      ILE  47  -5.973  -2.889 -14.901
  374   1HD1  ILE  47          2HD1      ILE  47  -5.944  -2.069 -11.962
  375   2HD1  ILE  47          1HD1      ILE  47  -5.644  -2.711 -10.348
  376   3HD1  ILE  47          3HD1      ILE  47  -4.378  -1.819 -11.191
  377    H    LEU  48           H        LEU  48  -2.009  -3.860 -15.409
  378    HA   LEU  48           HA       LEU  48  -3.483  -3.734 -17.942
  379   1HB   LEU  48          2HB       LEU  48  -0.593  -3.106 -17.260
  380   2HB   LEU  48          1HB       LEU  48  -1.338  -2.811 -18.830
  381    HG   LEU  48           HG       LEU  48  -1.987  -1.511 -16.182
  382   1HD1  LEU  48          1HD1      LEU  48  -0.359  -0.785 -18.319
  383   2HD1  LEU  48          3HD1      LEU  48  -1.845   0.125 -18.593
  384   3HD1  LEU  48          2HD1      LEU  48  -0.973   0.298 -17.070
  385   1HD2  LEU  48          1HD2      LEU  48  -3.709  -1.941 -18.580
  386   2HD2  LEU  48          3HD2      LEU  48  -4.167  -1.776 -16.884
  387   3HD2  LEU  48          2HD2      LEU  48  -3.754  -0.345 -17.830
  388    H    GLU  49           H        GLU  49  -1.066  -5.782 -16.426
  389    HA   GLU  49           HA       GLU  49  -0.265  -7.186 -18.811
  390   1HB   GLU  49          2HB       GLU  49  -0.178  -7.910 -15.873
  391   2HB   GLU  49          1HB       GLU  49   0.462  -8.964 -17.134
  392   1HG   GLU  49          2HG       GLU  49   1.954  -7.145 -17.892
  393   2HG   GLU  49          1HG       GLU  49   1.319  -6.098 -16.622
  394    H    LYS  50           H        LYS  50  -2.889  -7.607 -16.485
  395    HA   LYS  50           HA       LYS  50  -3.728 -10.210 -17.264
  396   1HB   LYS  50          2HB       LYS  50  -5.293  -7.836 -16.217
  397   2HB   LYS  50          1HB       LYS  50  -6.002  -9.434 -16.450
  398   1HG   LYS  50          2HG       LYS  50  -4.378 -10.414 -14.905
  399   2HG   LYS  50          1HG       LYS  50  -3.576  -8.854 -14.723
  400   1HD   LYS  50          2HD       LYS  50  -4.998  -9.010 -12.831
  401   2HD   LYS  50          1HD       LYS  50  -5.874  -7.969 -13.953
  402   1HE   LYS  50          2HE       LYS  50  -7.518  -9.510 -14.290
  403   2HE   LYS  50          1HE       LYS  50  -6.383 -10.860 -14.294
  404   1HZ   LYS  50          3HZ       LYS  50  -6.209 -10.587 -11.855
  405   2HZ   LYS  50          2HZ       LYS  50  -7.449  -9.428 -11.924
  406   3HZ   LYS  50          1HZ       LYS  50  -7.759 -11.036 -12.374
  407    H    GLU  51           H        GLU  51  -4.355  -7.029 -18.675
  408    HA   GLU  51           HA       GLU  51  -6.397  -7.807 -20.506
  409   1HB   GLU  51          2HB       GLU  51  -4.252  -5.679 -20.781
  410   2HB   GLU  51          1HB       GLU  51  -5.674  -5.814 -21.816
  411   1HG   GLU  51          2HG       GLU  51  -7.127  -5.573 -19.816
  412   2HG   GLU  51          1HG       GLU  51  -5.690  -5.380 -18.813
  413    H    ALA  52           H        ALA  52  -2.886  -8.100 -20.628
  414    HA   ALA  52           HA       ALA  52  -2.660  -8.756 -23.405
  415   1HB   ALA  52          3HB       ALA  52  -0.710  -8.189 -21.989
  416   2HB   ALA  52          2HB       ALA  52  -0.941  -9.683 -21.082
  417   3HB   ALA  52          1HB       ALA  52  -0.489  -9.747 -22.785
  418    H    LYS  53           H        LYS  53  -3.609 -10.621 -20.593
  419    HA   LYS  53           HA       LYS  53  -3.264 -13.241 -21.662
  420   1HB   LYS  53          2HB       LYS  53  -3.814 -12.734 -19.275
  421   2HB   LYS  53          1HB       LYS  53  -5.446 -12.293 -19.779
  422   1HG   LYS  53          2HG       LYS  53  -5.747 -14.571 -20.723
  423   2HG   LYS  53          1HG       LYS  53  -4.136 -15.004 -20.151
  424   1HD   LYS  53          2HD       LYS  53  -4.870 -14.432 -17.822
  425   2HD   LYS  53          1HD       LYS  53  -6.500 -14.172 -18.444
  426   1HE   LYS  53          2HE       LYS  53  -6.777 -16.446 -19.007
  427   2HE   LYS  53          1HE       LYS  53  -5.043 -16.761 -18.961
  428   1HZ   LYS  53          2HZ       LYS  53  -6.567 -15.937 -16.562
  429   2HZ   LYS  53          1HZ       LYS  53  -6.380 -17.568 -17.002
  430   3HZ   LYS  53          3HZ       LYS  53  -5.017 -16.628 -16.635
  431    H    SER  54           H        SER  54  -5.853 -10.862 -22.043
  432    HA   SER  54           HA       SER  54  -7.760 -12.575 -23.301
  433   1HB   SER  54          2HB       SER  54  -8.804 -10.540 -24.106
  434   2HB   SER  54          1HB       SER  54  -8.207 -10.239 -22.474
  435    HG   SER  54           HG       SER  54  -7.420  -9.163 -24.871
  436    H    GLN  55           H        GLN  55  -4.845 -11.045 -24.478
  437    HA   GLN  55           HA       GLN  55  -5.525 -11.630 -27.292
  438   1HB   GLN  55          2HB       GLN  55  -3.033 -10.465 -26.013
  439   2HB   GLN  55          1HB       GLN  55  -3.271 -10.655 -27.750
  440   1HG   GLN  55          2HG       GLN  55  -5.246  -9.194 -27.655
  441   2HG   GLN  55          1HG       GLN  55  -5.057  -9.033 -25.909
  442   1HE2  GLN  55          1HE2      GLN  55  -4.960  -6.731 -27.594
  443   2HE2  GLN  55          2HE2      GLN  55  -3.378  -6.115 -27.583

  No H/Q in entry =         443
  Start of MODEL    9
    1    H1   LYS   1          1H        LYS   1 -25.109  11.949  19.637
    2    H2   LYS   1          3H        LYS   1 -26.752  11.530  19.680
    3    H3   LYS   1          2H        LYS   1 -26.117  12.595  20.842
    4    HA   LYS   1           HA       LYS   1 -25.014  10.942  21.986
    5   1HB   LYS   1          2HB       LYS   1 -27.524   9.707  20.813
    6   2HB   LYS   1          1HB       LYS   1 -26.674   9.090  22.230
    7   1HG   LYS   1          2HG       LYS   1 -26.986  11.316  23.327
    8   2HG   LYS   1          1HG       LYS   1 -27.945  11.829  21.939
    9   1HD   LYS   1          2HD       LYS   1 -29.483   9.894  22.356
   10   2HD   LYS   1          1HD       LYS   1 -28.568   9.533  23.820
   11   1HE   LYS   1          2HE       LYS   1 -30.023  12.130  23.229
   12   2HE   LYS   1          1HE       LYS   1 -30.552  10.885  24.361
   13   1HZ   LYS   1          3HZ       LYS   1 -28.454  11.217  25.578
   14   2HZ   LYS   1          2HZ       LYS   1 -28.069  12.502  24.536
   15   3HZ   LYS   1          1HZ       LYS   1 -29.424  12.608  25.556
   16    H    ASN   2           H        ASN   2 -26.370   9.111  19.221
   17    HA   ASN   2           HA       ASN   2 -25.389   7.437  17.901
   18   1HB   ASN   2          2HB       ASN   2 -22.880   9.015  18.554
   19   2HB   ASN   2          1HB       ASN   2 -23.018   7.801  17.283
   20   1HD2  ASN   2          1HD2      ASN   2 -22.375  10.566  16.727
   21   2HD2  ASN   2          2HD2      ASN   2 -23.661  11.230  15.840
   22    H    GLU   3           H        GLU   3 -25.923   6.525  20.392
   23    HA   GLU   3           HA       GLU   3 -23.665   5.577  21.884
   24   1HB   GLU   3          2HB       GLU   3 -26.040   5.676  22.724
   25   2HB   GLU   3          1HB       GLU   3 -26.401   4.284  21.703
   26   1HG   GLU   3          2HG       GLU   3 -24.624   2.997  22.872
   27   2HG   GLU   3          1HG       GLU   3 -24.335   4.383  23.923
   28    H    ASP   4           H        ASP   4 -25.412   4.294  19.102
   29    HA   ASP   4           HA       ASP   4 -24.457   1.633  19.129
   30   1HB   ASP   4          2HB       ASP   4 -24.753   3.292  16.617
   31   2HB   ASP   4          1HB       ASP   4 -24.995   1.554  16.803
   32    H    GLN   5           H        GLN   5 -22.850   4.627  18.259
   33    HA   GLN   5           HA       GLN   5 -20.628   3.516  16.850
   34   1HB   GLN   5          2HB       GLN   5 -20.852   6.011  18.558
   35   2HB   GLN   5          1HB       GLN   5 -19.448   5.625  17.563
   36   1HG   GLN   5          2HG       GLN   5 -20.893   5.561  15.557
   37   2HG   GLN   5          1HG       GLN   5 -22.292   5.959  16.554
   38   1HE2  GLN   5          1HE2      GLN   5 -21.541   7.702  14.450
   39   2HE2  GLN   5          2HE2      GLN   5 -20.930   9.141  15.111
   40    H    GLU   6           H        GLU   6 -21.266   3.967  20.305
   41    HA   GLU   6           HA       GLU   6 -18.632   3.282  21.218
   42   1HB   GLU   6          2HB       GLU   6 -20.390   4.359  22.639
   43   2HB   GLU   6          1HB       GLU   6 -21.272   2.831  22.644
   44   1HG   GLU   6          2HG       GLU   6 -19.248   1.725  23.617
   45   2HG   GLU   6          1HG       GLU   6 -18.475   3.307  23.718
   46    H    MET   7           H        MET   7 -21.478   1.354  20.385
   47    HA   MET   7           HA       MET   7 -20.602  -1.145  21.424
   48   1HB   MET   7          2HB       MET   7 -22.303  -0.503  18.997
   49   2HB   MET   7          1HB       MET   7 -22.085  -2.131  19.640
   50   1HG   MET   7          2HG       MET   7 -22.978  -1.366  21.827
   51   2HG   MET   7          1HG       MET   7 -23.242   0.238  21.142
   52   1HE   MET   7          1HE       MET   7 -25.218  -0.583  22.486
   53   2HE   MET   7          3HE       MET   7 -26.269   0.208  21.303
   54   3HE   MET   7          2HE       MET   7 -26.607  -1.441  21.823
   55    H    CYS   8           H        CYS   8 -19.712   0.616  18.523
   56    HA   CYS   8           HA       CYS   8 -18.454  -1.553  17.133
   57   1HB   CYS   8          2HB       CYS   8 -18.993   0.585  16.030
   58   2HB   CYS   8          1HB       CYS   8 -17.823   1.414  17.057
   59    H    HIS   9           H        HIS   9 -17.285   0.746  19.563
   60    HA   HIS   9           HA       HIS   9 -14.544   0.315  19.509
   61   1HB   HIS   9          2HB       HIS   9 -15.397   1.834  21.135
   62   2HB   HIS   9          1HB       HIS   9 -16.435   0.603  21.852
   63    HD1  HIS   9           HD1      HIS   9 -15.021  -1.516  22.925
   64    HD2  HIS   9           HD2      HIS   9 -12.969   2.080  22.439
   65    HE1  HIS   9           HE1      HIS   9 -12.980  -1.650  24.415
   66    H    GLU  10           H        GLU  10 -16.906  -1.706  21.293
   67    HA   GLU  10           HA       GLU  10 -15.100  -3.654  22.225
   68   1HB   GLU  10          2HB       GLU  10 -17.489  -3.534  22.890
   69   2HB   GLU  10          1HB       GLU  10 -17.949  -4.113  21.289
   70   1HG   GLU  10          2HG       GLU  10 -16.532  -6.154  21.704
   71   2HG   GLU  10          1HG       GLU  10 -16.300  -5.592  23.359
   72    H    PHE  11           H        PHE  11 -16.650  -3.368  19.042
   73    HA   PHE  11           HA       PHE  11 -15.599  -5.932  18.135
   74   1HB   PHE  11          2HB       PHE  11 -17.435  -3.954  17.143
   75   2HB   PHE  11          1HB       PHE  11 -16.221  -4.279  15.907
   76    HD1  PHE  11           HD1      PHE  11 -15.604  -7.157  16.740
   77    HD2  PHE  11           HD2      PHE  11 -19.308  -5.074  16.122
   78    HE1  PHE  11           HE1      PHE  11 -16.720  -9.303  16.209
   79    HE2  PHE  11           HE2      PHE  11 -20.424  -7.221  15.588
   80    HZ   PHE  11           HZ       PHE  11 -19.131  -9.337  15.631
   81    H    GLN  12           H        GLN  12 -14.313  -2.794  18.499
   82    HA   GLN  12           HA       GLN  12 -12.470  -2.755  16.296
   83   1HB   GLN  12          2HB       GLN  12 -12.992  -0.746  17.640
   84   2HB   GLN  12          1HB       GLN  12 -12.211  -1.483  19.040
   85   1HG   GLN  12          2HG       GLN  12 -10.087  -1.619  17.740
   86   2HG   GLN  12          1HG       GLN  12 -10.882  -0.792  16.400
   87   1HE2  GLN  12          1HE2      GLN  12  -8.731   0.566  17.359
   88   2HE2  GLN  12          2HE2      GLN  12  -9.197   1.870  18.340
   89    H    ALA  13           H        ALA  13 -12.416  -4.306  19.447
   90    HA   ALA  13           HA       ALA  13  -9.577  -4.932  19.371
   91   1HB   ALA  13          3HB       ALA  13 -11.672  -5.139  21.262
   92   2HB   ALA  13          2HB       ALA  13 -11.091  -6.781  20.989
   93   3HB   ALA  13          1HB       ALA  13  -9.969  -5.523  21.508
   94    H    PHE  14           H        PHE  14 -12.487  -6.380  18.108
   95    HA   PHE  14           HA       PHE  14 -11.159  -8.960  17.585
   96   1HB   PHE  14          2HB       PHE  14 -13.902  -7.890  16.872
   97   2HB   PHE  14          1HB       PHE  14 -13.340  -9.509  16.457
   98    HD1  PHE  14           HD1      PHE  14 -12.695 -11.108  18.294
   99    HD2  PHE  14           HD2      PHE  14 -14.632  -7.356  19.081
  100    HE1  PHE  14           HE1      PHE  14 -13.316 -11.904  20.559
  101    HE2  PHE  14           HE2      PHE  14 -15.254  -8.152  21.345
  102    HZ   PHE  14           HZ       PHE  14 -14.596 -10.425  22.085
  103    H    MET  15           H        MET  15 -11.067  -5.961  16.164
  104    HA   MET  15           HA       MET  15 -11.213  -6.804  13.367
  105   1HB   MET  15          2HB       MET  15 -11.615  -4.421  14.418
  106   2HB   MET  15          1HB       MET  15  -9.865  -4.272  14.256
  107   1HG   MET  15          2HG       MET  15 -11.643  -5.144  11.967
  108   2HG   MET  15          1HG       MET  15 -11.238  -3.453  12.262
  109   1HE   MET  15          3HE       MET  15  -8.974  -2.532  12.495
  110   2HE   MET  15          2HE       MET  15  -8.212  -3.789  13.465
  111   3HE   MET  15          1HE       MET  15  -7.454  -3.265  11.963
  112    H    LYS  16           H        LYS  16  -9.532  -7.617  12.186
  113    HA   LYS  16           HA       LYS  16  -6.758  -7.169  13.170
  114   1HB   LYS  16          2HB       LYS  16  -7.942  -9.876  12.481
  115   2HB   LYS  16          1HB       LYS  16  -6.238  -9.573  12.821
  116   1HG   LYS  16          2HG       LYS  16  -6.938  -8.647  15.064
  117   2HG   LYS  16          1HG       LYS  16  -8.575  -9.203  14.716
  118   1HD   LYS  16          2HD       LYS  16  -7.723 -11.513  14.449
  119   2HD   LYS  16          1HD       LYS  16  -6.096 -10.950  14.832
  120   1HE   LYS  16          2HE       LYS  16  -7.344 -11.950  16.792
  121   2HE   LYS  16          1HE       LYS  16  -6.768 -10.305  17.059
  122   1HZ   LYS  16          3HZ       LYS  16  -9.496 -10.934  16.087
  123   2HZ   LYS  16          2HZ       LYS  16  -9.119 -10.730  17.731
  124   3HZ   LYS  16          1HZ       LYS  16  -8.915  -9.441  16.643
  125    H    ASN  17           H        ASN  17  -5.195  -7.191  11.504
  126    HA   ASN  17           HA       ASN  17  -4.466  -6.766   9.310
  127   1HB   ASN  17          2HB       ASN  17  -6.425  -9.024   8.789
  128   2HB   ASN  17          1HB       ASN  17  -5.198  -8.466   7.652
  129   1HD2  ASN  17          1HD2      ASN  17  -5.200 -11.154   8.693
  130   2HD2  ASN  17          2HD2      ASN  17  -3.823 -11.342   9.667
  131    H    GLY  18           H        GLY  18  -6.860  -5.279  10.300
  132   1HA   GLY  18          1HA       GLY  18  -7.629  -4.111   7.745
  133   2HA   GLY  18          2HA       GLY  18  -8.212  -3.602   9.331
  134    H    LYS  19           H        LYS  19  -8.788  -6.667   9.677
  135    HA   LYS  19           HA       LYS  19 -11.350  -6.672   8.134
  136   1HB   LYS  19          2HB       LYS  19  -9.628  -8.526   7.713
  137   2HB   LYS  19          1HB       LYS  19  -9.990  -9.087   9.345
  138   1HG   LYS  19          2HG       LYS  19 -12.507  -8.733   8.277
  139   2HG   LYS  19          1HG       LYS  19 -11.591  -9.306   6.885
  140   1HD   LYS  19          2HD       LYS  19 -10.667 -11.078   8.612
  141   2HD   LYS  19          1HD       LYS  19 -12.145 -10.686   9.492
  142   1HE   LYS  19          2HE       LYS  19 -12.337 -12.620   7.844
  143   2HE   LYS  19          1HE       LYS  19 -13.521 -11.330   7.634
  144   1HZ   LYS  19          3HZ       LYS  19 -10.988 -11.121   6.186
  145   2HZ   LYS  19          2HZ       LYS  19 -12.126 -12.252   5.627
  146   3HZ   LYS  19          1HZ       LYS  19 -12.539 -10.607   5.732
  147    H    LEU  20           H        LEU  20 -13.253  -7.372   9.293
  148    HA   LEU  20           HA       LEU  20 -12.996  -6.994  12.242
  149   1HB   LEU  20          2HB       LEU  20 -14.474  -5.368  11.233
  150   2HB   LEU  20          1HB       LEU  20 -15.344  -6.627  10.359
  151    HG   LEU  20           HG       LEU  20 -15.850  -7.621  12.698
  152   1HD1  LEU  20          3HD1      LEU  20 -14.143  -5.594  13.496
  153   2HD1  LEU  20          2HD1      LEU  20 -15.737  -4.920  13.837
  154   3HD1  LEU  20          1HD1      LEU  20 -15.260  -6.460  14.552
  155   1HD2  LEU  20          2HD2      LEU  20 -17.466  -6.407  11.182
  156   2HD2  LEU  20          1HD2      LEU  20 -17.832  -6.258  12.901
  157   3HD2  LEU  20          3HD2      LEU  20 -17.062  -4.923  12.045
  158    H    PHE  21           H        PHE  21 -12.794  -8.997  13.162
  159    HA   PHE  21           HA       PHE  21 -14.161 -11.328  12.022
  160   1HB   PHE  21          2HB       PHE  21 -12.472 -10.940  14.508
  161   2HB   PHE  21          1HB       PHE  21 -13.165 -12.491  14.034
  162    HD1  PHE  21           HD1      PHE  21 -11.091  -9.682  12.664
  163    HD2  PHE  21           HD2      PHE  21 -11.977 -13.884  12.574
  164    HE1  PHE  21           HE1      PHE  21  -9.205 -10.046  11.096
  165    HE2  PHE  21           HE2      PHE  21 -10.091 -14.248  11.006
  166    HZ   PHE  21           HZ       PHE  21  -8.706 -12.329  10.266
  167    H    CYS  22           H        CYS  22 -16.342 -11.388  12.336
  168    HA   CYS  22           HA       CYS  22 -17.412 -10.531  14.982
  169   1HB   CYS  22          2HB       CYS  22 -18.900 -11.055  12.392
  170   2HB   CYS  22          1HB       CYS  22 -19.571 -10.349  13.863
  171    HA   PRO  23           HA       PRO  23 -17.638 -15.087  15.454
  172   1HB   PRO  23          2HB       PRO  23 -17.688 -15.020  18.153
  173   2HB   PRO  23          1HB       PRO  23 -16.192 -14.923  17.221
  174   1HG   PRO  23          2HG       PRO  23 -17.775 -12.732  18.503
  175   2HG   PRO  23          1HG       PRO  23 -16.025 -12.960  18.460
  176   1HD   PRO  23          2HD       PRO  23 -17.314 -11.222  16.821
  177   2HD   PRO  23          1HD       PRO  23 -15.832 -12.054  16.348
  178    H    GLN  24           H        GLN  24 -19.264 -16.399  16.819
  179    HA   GLN  24           HA       GLN  24 -21.925 -15.403  16.300
  180   1HB   GLN  24          2HB       GLN  24 -20.916 -17.788  17.873
  181   2HB   GLN  24          1HB       GLN  24 -22.627 -17.462  17.594
  182   1HG   GLN  24          2HG       GLN  24 -22.188 -17.467  15.137
  183   2HG   GLN  24          1HG       GLN  24 -20.511 -17.905  15.464
  184   1HE2  GLN  24          1HE2      GLN  24 -22.084 -19.685  13.954
  185   2HE2  GLN  24          2HE2      GLN  24 -22.426 -21.066  14.879
  186    H    ASP  25           H        ASP  25 -22.901 -13.873  17.529
  187    HA   ASP  25           HA       ASP  25 -22.014 -13.433  20.307
  188   1HB   ASP  25          2HB       ASP  25 -22.457 -11.524  18.743
  189   2HB   ASP  25          1HB       ASP  25 -24.159 -11.987  18.722
  190    H    LYS  26           H        LYS  26 -23.020 -14.413  21.988
  191    HA   LYS  26           HA       LYS  26 -25.327 -16.086  21.647
  192   1HB   LYS  26          2HB       LYS  26 -24.076 -14.936  24.159
  193   2HB   LYS  26          1HB       LYS  26 -25.316 -16.190  24.145
  194   1HG   LYS  26          2HG       LYS  26 -23.806 -17.611  22.755
  195   2HG   LYS  26          1HG       LYS  26 -22.556 -16.376  22.900
  196   1HD   LYS  26          2HD       LYS  26 -22.695 -16.606  25.391
  197   2HD   LYS  26          1HD       LYS  26 -23.827 -17.940  25.167
  198   1HE   LYS  26          2HE       LYS  26 -22.161 -19.384  24.676
  199   2HE   LYS  26          1HE       LYS  26 -21.434 -18.259  23.529
  200   1HZ   LYS  26          2HZ       LYS  26 -20.945 -17.136  25.960
  201   2HZ   LYS  26          1HZ       LYS  26 -20.724 -18.797  26.247
  202   3HZ   LYS  26          3HZ       LYS  26 -19.832 -18.022  25.031
  203    H    LYS  27           H        LYS  27 -24.901 -12.750  22.700
  204    HA   LYS  27           HA       LYS  27 -27.659 -12.434  23.572
  205   1HB   LYS  27          2HB       LYS  27 -25.372 -10.545  23.042
  206   2HB   LYS  27          1HB       LYS  27 -26.994  -9.929  23.356
  207   1HG   LYS  27          2HG       LYS  27 -26.624 -11.860  25.329
  208   2HG   LYS  27          1HG       LYS  27 -25.053 -11.067  25.218
  209   1HD   LYS  27          2HD       LYS  27 -25.867  -9.295  26.340
  210   2HD   LYS  27          1HD       LYS  27 -27.073  -9.048  25.076
  211   1HE   LYS  27          2HE       LYS  27 -27.674 -11.289  26.894
  212   2HE   LYS  27          1HE       LYS  27 -27.659  -9.709  27.677
  213   1HZ   LYS  27          1HZ       LYS  27 -28.975  -9.597  25.163
  214   2HZ   LYS  27          3HZ       LYS  27 -29.684 -10.776  26.154
  215   3HZ   LYS  27          2HZ       LYS  27 -29.558  -9.173  26.701
  216    HA   PRO  28           HA       PRO  28 -29.542 -11.779  19.603
  217   1HB   PRO  28          2HB       PRO  28 -31.638 -10.243  20.346
  218   2HB   PRO  28          1HB       PRO  28 -31.558 -11.977  20.668
  219   1HG   PRO  28          2HG       PRO  28 -30.970  -9.678  22.495
  220   2HG   PRO  28          1HG       PRO  28 -31.858 -11.167  22.833
  221   1HD   PRO  28          2HD       PRO  28 -29.285 -10.821  23.594
  222   2HD   PRO  28          1HD       PRO  28 -29.928 -12.400  23.143
  223    H    ILE  29           H        ILE  29 -29.143 -10.322  17.985
  224    HA   ILE  29           HA       ILE  29 -28.484  -7.525  18.810
  225    HB   ILE  29           HB       ILE  29 -27.463  -7.764  16.270
  226   1HG1  ILE  29          2HG1      ILE  29 -26.109  -9.947  16.456
  227   2HG1  ILE  29          1HG1      ILE  29 -27.308 -10.452  17.643
  228   1HG2  ILE  29          2HG2      ILE  29 -26.513  -7.484  18.943
  229   2HG2  ILE  29          1HG2      ILE  29 -25.454  -8.628  18.119
  230   3HG2  ILE  29          3HG2      ILE  29 -25.702  -7.015  17.447
  231   1HD1  ILE  29          1HD1      ILE  29 -28.707  -9.355  15.409
  232   2HD1  ILE  29          3HD1      ILE  29 -27.516 -10.498  14.787
  233   3HD1  ILE  29          2HD1      ILE  29 -28.708 -11.026  15.975
  234    H    GLN  30           H        GLN  30 -28.840  -5.974  16.876
  235    HA   GLN  30           HA       GLN  30 -31.070  -6.652  15.099
  236   1HB   GLN  30          2HB       GLN  30 -31.381  -4.743  17.430
  237   2HB   GLN  30          1HB       GLN  30 -32.409  -4.651  16.000
  238   1HG   GLN  30          2HG       GLN  30 -32.908  -7.128  16.364
  239   2HG   GLN  30          1HG       GLN  30 -32.132  -6.958  17.938
  240   1HE2  GLN  30          1HE2      GLN  30 -34.809  -7.638  17.995
  241   2HE2  GLN  30          2HE2      GLN  30 -35.755  -6.309  18.465
  242    H    SER  31           H        SER  31 -30.309  -5.764  13.233
  243    HA   SER  31           HA       SER  31 -28.391  -3.572  13.313
  244   1HB   SER  31          2HB       SER  31 -27.821  -4.352  11.282
  245   2HB   SER  31          1HB       SER  31 -29.028  -5.617  11.505
  246    HG   SER  31           HG       SER  31 -29.327  -3.098  10.259
  247    H    LEU  32           H        LEU  32 -28.744  -1.457  12.911
  248    HA   LEU  32           HA       LEU  32 -31.504  -0.483  12.887
  249   1HB   LEU  32          2HB       LEU  32 -28.836   0.961  12.766
  250   2HB   LEU  32          1HB       LEU  32 -30.399   1.764  12.904
  251    HG   LEU  32           HG       LEU  32 -30.802   0.376  14.994
  252   1HD1  LEU  32          3HD1      LEU  32 -28.006  -0.430  14.288
  253   2HD1  LEU  32          2HD1      LEU  32 -28.424  -0.265  15.993
  254   3HD1  LEU  32          1HD1      LEU  32 -29.310  -1.400  14.974
  255   1HD2  LEU  32          2HD2      LEU  32 -29.953   2.786  14.911
  256   2HD2  LEU  32          1HD2      LEU  32 -29.593   1.894  16.390
  257   3HD2  LEU  32          3HD2      LEU  32 -28.339   2.122  15.171
  258    H    ASP  33           H        ASP  33 -29.046  -1.184  10.572
  259    HA   ASP  33           HA       ASP  33 -29.880   0.651   8.513
  260   1HB   ASP  33          2HB       ASP  33 -28.441  -2.010   8.320
  261   2HB   ASP  33          1HB       ASP  33 -28.609  -0.860   6.995
  262    H    GLY  34           H        GLY  34 -31.421  -2.005   9.884
  263   1HA   GLY  34          1HA       GLY  34 -33.188  -2.256   7.488
  264   2HA   GLY  34          2HA       GLY  34 -33.719  -2.511   9.152
  265    H    ILE  35           H        ILE  35 -31.020  -3.936   9.581
  266    HA   ILE  35           HA       ILE  35 -31.765  -6.508   8.237
  267    HB   ILE  35           HB       ILE  35 -29.037  -5.922   9.378
  268   1HG1  ILE  35          2HG1      ILE  35 -29.176  -5.588   6.502
  269   2HG1  ILE  35          1HG1      ILE  35 -30.212  -4.415   7.311
  270   1HG2  ILE  35          2HG2      ILE  35 -29.628  -8.240   8.750
  271   2HG2  ILE  35          1HG2      ILE  35 -30.027  -7.692   7.122
  272   3HG2  ILE  35          3HG2      ILE  35 -28.365  -7.595   7.703
  273   1HD1  ILE  35          1HD1      ILE  35 -28.295  -3.824   8.809
  274   2HD1  ILE  35          3HD1      ILE  35 -27.274  -4.915   7.871
  275   3HD1  ILE  35          2HD1      ILE  35 -27.968  -3.484   7.109
  276    H    MET  36           H        MET  36 -31.689  -8.415   9.538
  277    HA   MET  36           HA       MET  36 -31.947  -7.860  12.454
  278   1HB   MET  36          2HB       MET  36 -32.790 -10.248  10.782
  279   2HB   MET  36          1HB       MET  36 -33.010 -10.121  12.527
  280   1HG   MET  36          2HG       MET  36 -34.350  -8.045  12.166
  281   2HG   MET  36          1HG       MET  36 -34.203  -8.288  10.425
  282   1HE   MET  36          1HE       MET  36 -36.609  -8.404   9.847
  283   2HE   MET  36          3HE       MET  36 -37.849  -9.278  10.756
  284   3HE   MET  36          2HE       MET  36 -36.981  -7.940  11.505
  285    H    PHE  37           H        PHE  37 -29.323  -7.886  11.396
  286    HA   PHE  37           HA       PHE  37 -28.294 -10.489  12.450
  287   1HB   PHE  37          2HB       PHE  37 -27.506  -8.832  10.108
  288   2HB   PHE  37          1HB       PHE  37 -26.196  -9.580  11.024
  289    HD1  PHE  37           HD1      PHE  37 -26.614 -12.118  11.691
  290    HD2  PHE  37           HD2      PHE  37 -28.548 -10.086   8.438
  291    HE1  PHE  37           HE1      PHE  37 -27.115 -14.300  10.627
  292    HE2  PHE  37           HE2      PHE  37 -29.049 -12.270   7.373
  293    HZ   PHE  37           HZ       PHE  37 -28.333 -14.376   8.467
  294    H    ILE  38           H        ILE  38 -25.733  -9.980  12.961
  295    HA   ILE  38           HA       ILE  38 -25.735  -8.497  15.372
  296    HB   ILE  38           HB       ILE  38 -23.402  -9.174  13.558
  297   1HG1  ILE  38          2HG1      ILE  38 -24.377 -10.580  16.058
  298   2HG1  ILE  38          1HG1      ILE  38 -24.836 -11.080  14.430
  299   1HG2  ILE  38          1HG2      ILE  38 -23.370  -7.384  15.619
  300   2HG2  ILE  38          3HG2      ILE  38 -23.031  -8.885  16.479
  301   3HG2  ILE  38          2HG2      ILE  38 -21.985  -8.372  15.156
  302   1HD1  ILE  38          1HD1      ILE  38 -22.040 -10.760  14.349
  303   2HD1  ILE  38          3HD1      ILE  38 -22.371 -11.592  15.869
  304   3HD1  ILE  38          2HD1      ILE  38 -22.931 -12.282  14.346
  305    H    ASN  39           H        ASN  39 -26.507  -6.405  15.179
  306    HA   ASN  39           HA       ASN  39 -25.949  -4.552  13.126
  307   1HB   ASN  39          2HB       ASN  39 -27.642  -4.184  14.880
  308   2HB   ASN  39          1HB       ASN  39 -26.366  -3.996  16.077
  309   1HD2  ASN  39          1HD2      ASN  39 -26.888  -2.663  12.747
  310   2HD2  ASN  39          2HD2      ASN  39 -26.596  -1.055  13.193
  311    H    LYS  40           H        LYS  40 -24.302  -4.865  16.284
  312    HA   LYS  40           HA       LYS  40 -22.352  -2.942  16.025
  313   1HB   LYS  40          2HB       LYS  40 -21.833  -5.754  17.023
  314   2HB   LYS  40          1HB       LYS  40 -20.907  -4.312  17.439
  315   1HG   LYS  40          2HG       LYS  40 -22.957  -3.316  18.437
  316   2HG   LYS  40          1HG       LYS  40 -23.831  -4.806  18.081
  317   1HD   LYS  40          2HD       LYS  40 -22.294  -6.076  19.509
  318   2HD   LYS  40          1HD       LYS  40 -21.356  -4.617  19.826
  319   1HE   LYS  40          2HE       LYS  40 -22.918  -5.080  21.682
  320   2HE   LYS  40          1HE       LYS  40 -23.337  -3.572  20.868
  321   1HZ   LYS  40          1HZ       LYS  40 -24.604  -5.796  19.635
  322   2HZ   LYS  40          3HZ       LYS  40 -24.985  -5.730  21.286
  323   3HZ   LYS  40          2HZ       LYS  40 -25.298  -4.390  20.290
  324    H    CYS  41           H        CYS  41 -22.091  -6.255  14.746
  325    HA   CYS  41           HA       CYS  41 -19.579  -5.894  13.454
  326   1HB   CYS  41          2HB       CYS  41 -20.738  -8.087  13.804
  327   2HB   CYS  41          1HB       CYS  41 -21.874  -7.644  12.537
  328    H    ALA  42           H        ALA  42 -22.857  -5.741  12.084
  329    HA   ALA  42           HA       ALA  42 -22.052  -4.848   9.498
  330   1HB   ALA  42          3HB       ALA  42 -24.392  -5.680  10.567
  331   2HB   ALA  42          1HB       ALA  42 -24.279  -4.831   9.025
  332   3HB   ALA  42          2HB       ALA  42 -24.688  -3.943  10.493
  333    H    THR  43           H        THR  43 -22.735  -3.002  12.461
  334    HA   THR  43           HA       THR  43 -22.501  -0.497  10.880
  335    HB   THR  43           HB       THR  43 -22.981   0.483  13.274
  336    HG1  THR  43           HG1      THR  43 -23.466  -0.945  14.720
  337   1HG2  THR  43          2HG2      THR  43 -24.498   0.361  11.212
  338   2HG2  THR  43          1HG2      THR  43 -25.177  -1.101  11.927
  339   3HG2  THR  43          3HG2      THR  43 -25.313   0.440  12.774
  340    H    CYS  44           H        CYS  44 -20.926  -2.142  13.630
  341    HA   CYS  44           HA       CYS  44 -18.989  -0.186  14.232
  342   1HB   CYS  44          2HB       CYS  44 -19.235  -2.220  15.579
  343   2HB   CYS  44          1HB       CYS  44 -18.663  -3.202  14.231
  344    H    LYS  45           H        LYS  45 -19.161  -2.424  11.521
  345    HA   LYS  45           HA       LYS  45 -16.458  -2.238  10.647
  346   1HB   LYS  45          2HB       LYS  45 -19.073  -2.758   9.253
  347   2HB   LYS  45          1HB       LYS  45 -17.597  -2.564   8.306
  348   1HG   LYS  45          2HG       LYS  45 -16.536  -4.316   9.808
  349   2HG   LYS  45          1HG       LYS  45 -18.144  -4.612  10.471
  350   1HD   LYS  45          2HD       LYS  45 -18.896  -4.932   8.027
  351   2HD   LYS  45          1HD       LYS  45 -17.178  -5.038   7.641
  352   1HE   LYS  45          2HE       LYS  45 -16.908  -6.913   9.181
  353   2HE   LYS  45          1HE       LYS  45 -18.589  -6.770   9.693
  354   1HZ   LYS  45          2HZ       LYS  45 -18.052  -7.072   6.836
  355   2HZ   LYS  45          1HZ       LYS  45 -17.857  -8.442   7.822
  356   3HZ   LYS  45          3HZ       LYS  45 -19.355  -7.649   7.761
  357    H    MET  46           H        MET  46 -19.243  -0.119  10.104
  358    HA   MET  46           HA       MET  46 -17.680   1.690   8.398
  359   1HB   MET  46          2HB       MET  46 -20.449   1.925   9.617
  360   2HB   MET  46          1HB       MET  46 -19.742   3.114   8.523
  361   1HG   MET  46          2HG       MET  46 -19.459   1.308   6.817
  362   2HG   MET  46          1HG       MET  46 -20.293   0.196   7.902
  363   1HE   MET  46          2HE       MET  46 -20.167   3.546   6.583
  364   2HE   MET  46          1HE       MET  46 -21.263   3.351   5.217
  365   3HE   MET  46          3HE       MET  46 -21.798   4.206   6.671
  366    H    ILE  47           H        ILE  47 -18.675   1.409  11.748
  367    HA   ILE  47           HA       ILE  47 -17.813   4.106  12.468
  368    HB   ILE  47           HB       ILE  47 -18.265   1.745  14.313
  369   1HG1  ILE  47          2HG1      ILE  47 -20.303   3.784  13.375
  370   2HG1  ILE  47          1HG1      ILE  47 -20.193   2.140  12.744
  371   1HG2  ILE  47          1HG2      ILE  47 -17.914   4.685  14.607
  372   2HG2  ILE  47          3HG2      ILE  47 -19.135   3.930  15.632
  373   3HG2  ILE  47          2HG2      ILE  47 -17.459   3.382  15.705
  374   1HD1  ILE  47          1HD1      ILE  47 -20.173   2.004  15.603
  375   2HD1  ILE  47          3HD1      ILE  47 -21.522   3.028  15.109
  376   3HD1  ILE  47          2HD1      ILE  47 -21.391   1.382  14.490
  377    H    LEU  48           H        LEU  48 -16.357   0.970  12.134
  378    HA   LEU  48           HA       LEU  48 -14.083   1.384  13.854
  379   1HB   LEU  48          2HB       LEU  48 -14.982  -0.791  12.639
  380   2HB   LEU  48          1HB       LEU  48 -13.898  -0.266  11.353
  381    HG   LEU  48           HG       LEU  48 -12.559  -1.682  12.695
  382   1HD1  LEU  48          2HD1      LEU  48 -11.548   0.571  12.221
  383   2HD1  LEU  48          1HD1      LEU  48 -12.068   1.088  13.824
  384   3HD1  LEU  48          3HD1      LEU  48 -10.889  -0.212  13.657
  385   1HD2  LEU  48          3HD2      LEU  48 -14.062  -0.401  14.955
  386   2HD2  LEU  48          2HD2      LEU  48 -13.782  -2.112  14.629
  387   3HD2  LEU  48          1HD2      LEU  48 -12.477  -1.111  15.265
  388    H    GLU  49           H        GLU  49 -14.722   2.057  10.428
  389    HA   GLU  49           HA       GLU  49 -12.040   2.956   9.837
  390   1HB   GLU  49          2HB       GLU  49 -14.653   3.643   8.455
  391   2HB   GLU  49          1HB       GLU  49 -13.038   3.888   7.789
  392   1HG   GLU  49          2HG       GLU  49 -12.616   1.475   7.857
  393   2HG   GLU  49          1HG       GLU  49 -14.192   1.202   8.601
  394    H    LYS  50           H        LYS  50 -14.932   4.508  11.107
  395    HA   LYS  50           HA       LYS  50 -14.299   7.219  10.717
  396   1HB   LYS  50          2HB       LYS  50 -15.587   5.886  13.118
  397   2HB   LYS  50          1HB       LYS  50 -15.580   7.626  12.833
  398   1HG   LYS  50          2HG       LYS  50 -16.683   7.194  10.613
  399   2HG   LYS  50          1HG       LYS  50 -16.828   5.497  11.071
  400   1HD   LYS  50          2HD       LYS  50 -18.085   6.222  13.120
  401   2HD   LYS  50          1HD       LYS  50 -18.049   7.875  12.505
  402   1HE   LYS  50          2HE       LYS  50 -19.309   7.233  10.537
  403   2HE   LYS  50          1HE       LYS  50 -19.203   5.527  10.972
  404   1HZ   LYS  50          3HZ       LYS  50 -20.465   6.010  12.984
  405   2HZ   LYS  50          2HZ       LYS  50 -20.590   7.642  12.529
  406   3HZ   LYS  50          1HZ       LYS  50 -21.339   6.437  11.595
  407    H    GLU  51           H        GLU  51 -13.039   4.941  13.116
  408    HA   GLU  51           HA       GLU  51 -11.661   6.807  14.762
  409   1HB   GLU  51          2HB       GLU  51 -11.970   4.376  15.286
  410   2HB   GLU  51          1HB       GLU  51 -10.770   3.996  14.051
  411   1HG   GLU  51          2HG       GLU  51  -9.129   5.439  15.273
  412   2HG   GLU  51          1HG       GLU  51 -10.329   5.664  16.546
  413    H    ALA  52           H        ALA  52 -10.854   5.421  11.630
  414    HA   ALA  52           HA       ALA  52  -8.085   6.203  11.613
  415   1HB   ALA  52          2HB       ALA  52  -9.734   4.765   9.923
  416   2HB   ALA  52          3HB       ALA  52  -8.079   5.251   9.554
  417   3HB   ALA  52          1HB       ALA  52  -9.432   6.239   9.003
  418    H    LYS  53           H        LYS  53 -11.081   7.891  10.916
  419    HA   LYS  53           HA       LYS  53 -11.489  10.141  10.388
  420   1HB   LYS  53          2HB       LYS  53  -8.733  10.445  11.622
  421   2HB   LYS  53          1HB       LYS  53  -9.861  11.766  11.314
  422   1HG   LYS  53          2HG       LYS  53 -11.526  10.643  12.789
  423   2HG   LYS  53          1HG       LYS  53 -10.333   9.394  13.146
  424   1HD   LYS  53          2HD       LYS  53  -8.800  11.157  14.018
  425   2HD   LYS  53          1HD       LYS  53 -10.061  12.357  13.738
  426   1HE   LYS  53          2HE       LYS  53 -10.692   9.913  15.365
  427   2HE   LYS  53          1HE       LYS  53  -9.819  11.249  16.115
  428   1HZ   LYS  53          3HZ       LYS  53 -11.800  12.514  14.807
  429   2HZ   LYS  53          2HZ       LYS  53 -12.576  11.082  15.290
  430   3HZ   LYS  53          1HZ       LYS  53 -11.847  12.089  16.448
  431    H    SER  54           H        SER  54 -10.717   8.714   8.194
  432    HA   SER  54           HA       SER  54  -8.386   9.639   6.836
  433   1HB   SER  54          2HB       SER  54 -11.023   8.790   5.602
  434   2HB   SER  54          1HB       SER  54  -9.449   8.800   4.807
  435    HG   SER  54           HG       SER  54  -8.839   7.375   6.673
  436    H    GLN  55           H        GLN  55 -11.565  11.052   7.265
  437    HA   GLN  55           HA       GLN  55 -10.625  13.420   5.697
  438   1HB   GLN  55          2HB       GLN  55 -12.436  12.165   4.517
  439   2HB   GLN  55          1HB       GLN  55 -13.481  12.422   5.914
  440   1HG   GLN  55          2HG       GLN  55 -13.268  14.861   5.633
  441   2HG   GLN  55          1HG       GLN  55 -12.204  14.614   4.248
  442   1HE2  GLN  55          1HE2      GLN  55 -14.489  16.045   3.705
  443   2HE2  GLN  55          2HE2      GLN  55 -15.617  15.096   2.864

  No H/Q in entry =         443
  Start of MODEL   10
    1    H1   LYS   1          1H        LYS   1   0.584  -0.625  16.799
    2    H2   LYS   1          3H        LYS   1   0.332   1.050  16.875
    3    H3   LYS   1          2H        LYS   1  -0.508   0.018  17.931
    4    HA   LYS   1           HA       LYS   1  -1.980  -0.673  16.355
    5   1HB   LYS   1          2HB       LYS   1  -1.076   2.065  15.410
    6   2HB   LYS   1          1HB       LYS   1  -2.602   1.301  14.966
    7   1HG   LYS   1          2HG       LYS   1  -3.186   1.160  17.393
    8   2HG   LYS   1          1HG       LYS   1  -1.706   2.042  17.768
    9   1HD   LYS   1          2HD       LYS   1  -2.506   3.911  16.310
   10   2HD   LYS   1          1HD       LYS   1  -4.023   3.040  16.084
   11   1HE   LYS   1          2HE       LYS   1  -3.216   3.308  18.902
   12   2HE   LYS   1          1HE       LYS   1  -3.537   4.848  18.104
   13   1HZ   LYS   1          3HZ       LYS   1  -5.649   3.807  17.287
   14   2HZ   LYS   1          2HZ       LYS   1  -5.353   2.520  18.356
   15   3HZ   LYS   1          1HZ       LYS   1  -5.582   4.093  18.957
   16    H    ASN   2           H        ASN   2   1.078   0.357  14.931
   17    HA   ASN   2           HA       ASN   2   2.157  -0.347  12.970
   18   1HB   ASN   2          2HB       ASN   2   0.175  -2.636  13.174
   19   2HB   ASN   2          1HB       ASN   2   1.635  -2.622  12.186
   20   1HD2  ASN   2          1HD2      ASN   2   0.783  -4.242  14.711
   21   2HD2  ASN   2          2HD2      ASN   2   2.118  -4.082  15.747
   22    H    GLU   3           H        GLU   3   0.166   1.585  12.620
   23    HA   GLU   3           HA       GLU   3  -1.817   0.933  10.678
   24   1HB   GLU   3          2HB       GLU   3  -0.346   3.539  11.177
   25   2HB   GLU   3          1HB       GLU   3  -1.772   3.380  10.150
   26   1HG   GLU   3          2HG       GLU   3  -3.032   2.471  12.100
   27   2HG   GLU   3          1HG       GLU   3  -1.613   2.741  13.112
   28    H    ASP   4           H        ASP   4   1.599   1.797  10.361
   29    HA   ASP   4           HA       ASP   4   1.684   2.243   7.567
   30   1HB   ASP   4          2HB       ASP   4   3.578   2.570   9.228
   31   2HB   ASP   4          1HB       ASP   4   3.832   0.825   9.161
   32    H    GLN   5           H        GLN   5   1.585  -0.755   9.415
   33    HA   GLN   5           HA       GLN   5   2.258  -2.540   7.285
   34   1HB   GLN   5          2HB       GLN   5   0.514  -2.928   9.735
   35   2HB   GLN   5          1HB       GLN   5   0.987  -4.237   8.652
   36   1HG   GLN   5          2HG       GLN   5   3.370  -3.727   9.087
   37   2HG   GLN   5          1HG       GLN   5   2.887  -2.435  10.186
   38   1HE2  GLN   5          1HE2      GLN   5   4.437  -4.571  11.192
   39   2HE2  GLN   5          2HE2      GLN   5   3.479  -5.526  12.218
   40    H    GLU   6           H        GLU   6  -0.853  -1.183   8.353
   41    HA   GLU   6           HA       GLU   6  -2.521  -2.654   6.575
   42   1HB   GLU   6          2HB       GLU   6  -3.340  -1.227   8.463
   43   2HB   GLU   6          1HB       GLU   6  -2.919   0.201   7.518
   44   1HG   GLU   6          2HG       GLU   6  -4.433  -0.609   5.701
   45   2HG   GLU   6          1HG       GLU   6  -4.914  -1.948   6.743
   46    H    MET   7           H        MET   7  -0.736   0.389   6.137
   47    HA   MET   7           HA       MET   7  -1.767   0.992   3.534
   48   1HB   MET   7          2HB       MET   7   0.898   1.682   4.808
   49   2HB   MET   7          1HB       MET   7   0.302   2.383   3.304
   50   1HG   MET   7          2HG       MET   7  -1.056   2.560   6.012
   51   2HG   MET   7          1HG       MET   7  -0.206   3.871   5.193
   52   1HE   MET   7          3HE       MET   7  -0.711   4.741   2.971
   53   2HE   MET   7          2HE       MET   7  -1.098   3.272   2.078
   54   3HE   MET   7          1HE       MET   7  -2.238   4.615   2.085
   55    H    CYS   8           H        CYS   8   0.833  -1.100   4.654
   56    HA   CYS   8           HA       CYS   8   2.186  -1.552   2.216
   57   1HB   CYS   8          2HB       CYS   8   3.019  -2.456   4.324
   58   2HB   CYS   8          1HB       CYS   8   1.595  -3.485   4.479
   59    H    HIS   9           H        HIS   9  -0.787  -3.026   3.485
   60    HA   HIS   9           HA       HIS   9  -1.233  -5.063   1.649
   61   1HB   HIS   9          2HB       HIS   9  -2.858  -4.738   3.363
   62   2HB   HIS   9          1HB       HIS   9  -3.154  -3.071   2.871
   63    HD1  HIS   9           HD1      HIS   9  -4.158  -2.864   0.302
   64    HD2  HIS   9           HD2      HIS   9  -4.651  -6.520   2.243
   65    HE1  HIS   9           HE1      HIS   9  -5.987  -4.093  -0.942
   66    H    GLU  10           H        GLU  10  -2.172  -1.635   1.192
   67    HA   GLU  10           HA       GLU  10  -3.163  -1.836  -1.426
   68   1HB   GLU  10          2HB       GLU  10  -1.613   0.410  -0.111
   69   2HB   GLU  10          1HB       GLU  10  -2.424   0.565  -1.669
   70   1HG   GLU  10          2HG       GLU  10  -4.557  -0.175  -0.531
   71   2HG   GLU  10          1HG       GLU  10  -3.702  -0.060   1.007
   72    H    PHE  11           H        PHE  11   0.185  -1.817  -0.317
   73    HA   PHE  11           HA       PHE  11   1.217  -1.541  -3.052
   74   1HB   PHE  11          2HB       PHE  11   2.292  -1.296  -0.408
   75   2HB   PHE  11          1HB       PHE  11   3.230  -2.509  -1.280
   76    HD1  PHE  11           HD1      PHE  11   3.010  -1.571  -4.061
   77    HD2  PHE  11           HD2      PHE  11   3.647   0.653  -0.442
   78    HE1  PHE  11           HE1      PHE  11   4.135   0.216  -5.355
   79    HE2  PHE  11           HE2      PHE  11   4.766   2.441  -1.737
   80    HZ   PHE  11           HZ       PHE  11   5.011   2.225  -4.195
   81    H    GLN  12           H        GLN  12  -0.136  -4.037  -1.277
   82    HA   GLN  12           HA       GLN  12   1.582  -6.217  -2.125
   83   1HB   GLN  12          2HB       GLN  12  -1.306  -6.202  -1.191
   84   2HB   GLN  12          1HB       GLN  12  -0.329  -7.653  -1.418
   85   1HG   GLN  12          2HG       GLN  12   1.316  -6.755   0.232
   86   2HG   GLN  12          1HG       GLN  12   0.246  -5.381   0.509
   87   1HE2  GLN  12          1HE2      GLN  12   0.908  -7.217   2.618
   88   2HE2  GLN  12          2HE2      GLN  12  -0.499  -8.064   3.046
   89    H    ALA  13           H        ALA  13  -1.170  -4.521  -3.493
   90    HA   ALA  13           HA       ALA  13  -1.793  -6.464  -5.528
   91   1HB   ALA  13          2HB       ALA  13  -3.138  -4.358  -4.697
   92   2HB   ALA  13          1HB       ALA  13  -2.207  -3.516  -5.937
   93   3HB   ALA  13          3HB       ALA  13  -3.260  -4.859  -6.384
   94    H    PHE  14           H        PHE  14   0.583  -3.903  -5.249
   95    HA   PHE  14           HA       PHE  14   1.299  -4.039  -8.099
   96   1HB   PHE  14          2HB       PHE  14   2.548  -2.593  -5.744
   97   2HB   PHE  14          1HB       PHE  14   3.137  -2.472  -7.402
   98    HD1  PHE  14           HD1      PHE  14   1.636  -1.540  -9.192
   99    HD2  PHE  14           HD2      PHE  14   0.600  -1.408  -5.025
  100    HE1  PHE  14           HE1      PHE  14  -0.068   0.197  -9.671
  101    HE2  PHE  14           HE2      PHE  14  -1.105   0.328  -5.504
  102    HZ   PHE  14           HZ       PHE  14  -1.439   1.131  -7.827
  103    H    MET  15           H        MET  15   1.852  -6.003  -5.479
  104    HA   MET  15           HA       MET  15   4.672  -6.605  -5.980
  105   1HB   MET  15          2HB       MET  15   3.321  -6.885  -3.763
  106   2HB   MET  15          1HB       MET  15   2.780  -8.403  -4.478
  107   1HG   MET  15          2HG       MET  15   5.702  -7.638  -4.281
  108   2HG   MET  15          1HG       MET  15   4.870  -8.555  -3.025
  109   1HE   MET  15          1HE       MET  15   3.372 -10.291  -3.457
  110   2HE   MET  15          3HE       MET  15   2.861 -10.643  -5.114
  111   3HE   MET  15          2HE       MET  15   3.919 -11.762  -4.258
  112    H    LYS  16           H        LYS  16   5.452  -8.195  -7.322
  113    HA   LYS  16           HA       LYS  16   3.552 -10.198  -8.418
  114   1HB   LYS  16          2HB       LYS  16   3.668  -8.206  -9.976
  115   2HB   LYS  16          1HB       LYS  16   5.381  -8.562 -10.196
  116   1HG   LYS  16          2HG       LYS  16   4.243  -9.648 -12.001
  117   2HG   LYS  16          1HG       LYS  16   4.670 -10.922 -10.858
  118   1HD   LYS  16          2HD       LYS  16   2.403 -10.828  -9.895
  119   2HD   LYS  16          1HD       LYS  16   1.974  -9.539 -11.020
  120   1HE   LYS  16          2HE       LYS  16   2.984 -11.472 -12.706
  121   2HE   LYS  16          1HE       LYS  16   2.168 -12.439 -11.477
  122   1HZ   LYS  16          2HZ       LYS  16   0.205 -10.977 -11.790
  123   2HZ   LYS  16          1HZ       LYS  16   0.998 -10.255 -13.107
  124   3HZ   LYS  16          3HZ       LYS  16   0.597 -11.902 -13.160
  125    H    ASN  17           H        ASN  17   4.575 -12.154  -8.972
  126    HA   ASN  17           HA       ASN  17   6.235 -13.801  -8.689
  127   1HB   ASN  17          2HB       ASN  17   7.945 -11.561  -9.817
  128   2HB   ASN  17          1HB       ASN  17   8.351 -13.277  -9.825
  129   1HD2  ASN  17          1HD2      ASN  17   7.478 -11.084 -11.987
  130   2HD2  ASN  17          2HD2      ASN  17   6.389 -11.961 -12.950
  131    H    GLY  18           H        GLY  18   5.776 -11.867  -6.435
  132   1HA   GLY  18          1HA       GLY  18   8.100 -12.647  -4.847
  133   2HA   GLY  18          2HA       GLY  18   6.706 -11.736  -4.264
  134    H    LYS  19           H        LYS  19   7.106  -9.864  -6.651
  135    HA   LYS  19           HA       LYS  19   9.354  -8.300  -5.447
  136   1HB   LYS  19          2HB       LYS  19   9.781  -9.299  -7.773
  137   2HB   LYS  19          1HB       LYS  19   8.552  -8.178  -8.360
  138   1HG   LYS  19          2HG       LYS  19  10.284  -6.674  -6.695
  139   2HG   LYS  19          1HG       LYS  19  11.316  -7.652  -7.739
  140   1HD   LYS  19          2HD       LYS  19   9.598  -6.856  -9.605
  141   2HD   LYS  19          1HD       LYS  19   9.341  -5.526  -8.475
  142   1HE   LYS  19          2HE       LYS  19  12.176  -6.196  -8.889
  143   2HE   LYS  19          1HE       LYS  19  11.359  -5.629 -10.345
  144   1HZ   LYS  19          3HZ       LYS  19  11.222  -4.232  -7.733
  145   2HZ   LYS  19          2HZ       LYS  19  12.341  -3.842  -8.950
  146   3HZ   LYS  19          1HZ       LYS  19  10.676  -3.661  -9.233
  147    H    LEU  20           H        LEU  20   8.677  -6.357  -4.670
  148    HA   LEU  20           HA       LEU  20   5.936  -5.467  -5.191
  149   1HB   LEU  20          2HB       LEU  20   6.773  -5.161  -2.951
  150   2HB   LEU  20          1HB       LEU  20   8.200  -4.311  -3.542
  151    HG   LEU  20           HG       LEU  20   6.621  -2.574  -4.520
  152   1HD1  LEU  20          2HD1      LEU  20   4.714  -4.505  -3.496
  153   2HD1  LEU  20          1HD1      LEU  20   4.437  -2.917  -2.782
  154   3HD1  LEU  20          3HD1      LEU  20   4.432  -3.109  -4.536
  155   1HD2  LEU  20          3HD2      LEU  20   6.598  -3.012  -1.517
  156   2HD2  LEU  20          2HD2      LEU  20   7.843  -2.162  -2.433
  157   3HD2  LEU  20          1HD2      LEU  20   6.217  -1.489  -2.320
  158    H    PHE  21           H        PHE  21   5.538  -4.449  -7.102
  159    HA   PHE  21           HA       PHE  21   7.662  -2.885  -8.416
  160   1HB   PHE  21          2HB       PHE  21   4.824  -3.602  -9.193
  161   2HB   PHE  21          1HB       PHE  21   5.839  -2.534 -10.163
  162    HD1  PHE  21           HD1      PHE  21   5.912  -5.898  -8.507
  163    HD2  PHE  21           HD2      PHE  21   7.256  -3.456 -11.775
  164    HE1  PHE  21           HE1      PHE  21   7.018  -7.870  -9.526
  165    HE2  PHE  21           HE2      PHE  21   8.362  -5.428 -12.794
  166    HZ   PHE  21           HZ       PHE  21   8.243  -7.635 -11.670
  167    H    CYS  22           H        CYS  22   7.945  -0.786  -7.863
  168    HA   CYS  22           HA       CYS  22   5.837   0.675  -6.441
  169   1HB   CYS  22          2HB       CYS  22   8.568   0.779  -6.365
  170   2HB   CYS  22          1HB       CYS  22   8.203   2.168  -7.387
  171    HA   PRO  23           HA       PRO  23   4.225   2.142 -10.400
  172   1HB   PRO  23          2HB       PRO  23   2.070   3.387  -9.357
  173   2HB   PRO  23          1HB       PRO  23   2.144   1.640  -9.598
  174   1HG   PRO  23          2HG       PRO  23   2.538   3.230  -7.099
  175   2HG   PRO  23          1HG       PRO  23   1.689   1.699  -7.323
  176   1HD   PRO  23          1HD       PRO  23   4.209   1.863  -6.303
  177   2HD   PRO  23          2HD       PRO  23   3.627   0.464  -7.202
  178    H    GLN  24           H        GLN  24   3.006   4.527 -10.715
  179    HA   GLN  24           HA       GLN  24   5.181   6.420 -10.482
  180   1HB   GLN  24          2HB       GLN  24   2.274   6.817 -11.252
  181   2HB   GLN  24          1HB       GLN  24   3.535   8.037 -11.427
  182   1HG   GLN  24          2HG       GLN  24   4.780   6.574 -12.944
  183   2HG   GLN  24          1HG       GLN  24   3.587   5.294 -12.720
  184   1HE2  GLN  24          1HE2      GLN  24   4.094   6.351 -15.320
  185   2HE2  GLN  24          2HE2      GLN  24   2.725   7.212 -15.834
  186    H    ASP  25           H        ASP  25   2.380   5.657  -8.540
  187    HA   ASP  25           HA       ASP  25   1.725   6.471  -6.437
  188   1HB   ASP  25          2HB       ASP  25   4.405   7.892  -6.495
  189   2HB   ASP  25          1HB       ASP  25   3.417   7.573  -5.070
  190    H    LYS  26           H        LYS  26   0.459   7.749  -8.362
  191    HA   LYS  26           HA       LYS  26   0.985  10.561  -8.623
  192   1HB   LYS  26          2HB       LYS  26  -1.550   8.945  -9.007
  193   2HB   LYS  26          1HB       LYS  26  -1.409  10.654  -9.416
  194   1HG   LYS  26          2HG       LYS  26   0.530  10.075 -10.904
  195   2HG   LYS  26          1HG       LYS  26   0.212   8.370 -10.580
  196   1HD   LYS  26          2HD       LYS  26  -2.161   8.777 -11.401
  197   2HD   LYS  26          1HD       LYS  26  -1.614  10.360 -11.951
  198   1HE   LYS  26          2HE       LYS  26  -0.238   9.461 -13.598
  199   2HE   LYS  26          1HE       LYS  26  -0.049   7.928 -12.747
  200   1HZ   LYS  26          1HZ       LYS  26  -2.580   8.860 -13.987
  201   2HZ   LYS  26          3HZ       LYS  26  -1.495   7.781 -14.720
  202   3HZ   LYS  26          2HZ       LYS  26  -2.291   7.341 -13.285
  203    H    LYS  27           H        LYS  27  -0.818   8.653  -6.281
  204    HA   LYS  27           HA       LYS  27  -1.942  11.069  -5.020
  205   1HB   LYS  27          2HB       LYS  27  -2.034   8.236  -3.962
  206   2HB   LYS  27          1HB       LYS  27  -3.125   9.568  -3.582
  207   1HG   LYS  27          2HG       LYS  27  -4.402   9.152  -5.399
  208   2HG   LYS  27          1HG       LYS  27  -2.989   9.066  -6.452
  209   1HD   LYS  27          2HD       LYS  27  -2.648   6.739  -5.191
  210   2HD   LYS  27          1HD       LYS  27  -4.392   6.878  -4.973
  211   1HE   LYS  27          2HE       LYS  27  -4.788   6.406  -7.147
  212   2HE   LYS  27          1HE       LYS  27  -3.573   7.564  -7.690
  213   1HZ   LYS  27          2HZ       LYS  27  -2.559   5.142  -6.453
  214   2HZ   LYS  27          1HZ       LYS  27  -3.315   4.935  -7.960
  215   3HZ   LYS  27          3HZ       LYS  27  -1.994   5.989  -7.813
  216    HA   PRO  28           HA       PRO  28   1.800  11.468  -2.542
  217   1HB   PRO  28          2HB       PRO  28   0.976  13.635  -1.151
  218   2HB   PRO  28          1HB       PRO  28   1.580  13.728  -2.807
  219   1HG   PRO  28          2HG       PRO  28  -1.247  13.701  -1.819
  220   2HG   PRO  28          1HG       PRO  28  -0.518  14.711  -3.071
  221   1HD   PRO  28          1HD       PRO  28  -2.007  12.536  -3.669
  222   2HD   PRO  28          2HD       PRO  28  -0.646  13.044  -4.670
  223    H    ILE  29           H        ILE  29   2.302  10.591  -0.574
  224    HA   ILE  29           HA       ILE  29   0.136  10.355   1.461
  225    HB   ILE  29           HB       ILE  29   1.570   8.202   0.044
  226   1HG1  ILE  29          2HG1      ILE  29  -0.928   8.609   0.194
  227   2HG1  ILE  29          1HG1      ILE  29  -0.413   6.968   0.589
  228   1HG2  ILE  29          2HG2      ILE  29   2.762   8.186   2.266
  229   2HG2  ILE  29          1HG2      ILE  29   1.199   7.931   3.041
  230   3HG2  ILE  29          3HG2      ILE  29   1.846   6.715   1.938
  231   1HD1  ILE  29          1HD1      ILE  29  -0.281   8.532   2.978
  232   2HD1  ILE  29          3HD1      ILE  29  -1.856   8.810   2.235
  233   3HD1  ILE  29          2HD1      ILE  29  -1.345   7.168   2.628
  234    H    GLN  30           H        GLN  30   0.865  11.331   3.304
  235    HA   GLN  30           HA       GLN  30   3.729  11.857   3.626
  236   1HB   GLN  30          2HB       GLN  30   1.552  12.321   5.678
  237   2HB   GLN  30          1HB       GLN  30   3.113  13.133   5.551
  238   1HG   GLN  30          2HG       GLN  30   2.400  14.051   3.333
  239   2HG   GLN  30          1HG       GLN  30   0.808  13.335   3.588
  240   1HE2  GLN  30          1HE2      GLN  30   1.649  16.268   3.460
  241   2HE2  GLN  30          2HE2      GLN  30   1.071  16.942   4.907
  242    H    SER  31           H        SER  31   4.782   9.904   3.977
  243    HA   SER  31           HA       SER  31   3.701   7.919   5.824
  244   1HB   SER  31          2HB       SER  31   5.280   6.531   4.967
  245   2HB   SER  31          1HB       SER  31   5.414   7.769   3.718
  246    HG   SER  31           HG       SER  31   7.155   8.632   4.759
  247    H    LEU  32           H        LEU  32   5.879   7.052   7.242
  248    HA   LEU  32           HA       LEU  32   6.367   9.355   9.085
  249   1HB   LEU  32          2HB       LEU  32   6.249   6.390   9.716
  250   2HB   LEU  32          1HB       LEU  32   6.490   7.684  10.886
  251    HG   LEU  32           HG       LEU  32   4.264   8.633  10.195
  252   1HD1  LEU  32          3HD1      LEU  32   4.448   6.318   8.347
  253   2HD1  LEU  32          2HD1      LEU  32   2.882   6.554   9.122
  254   3HD1  LEU  32          1HD1      LEU  32   3.590   7.846   8.152
  255   1HD2  LEU  32          3HD2      LEU  32   4.610   7.089  12.162
  256   2HD2  LEU  32          2HD2      LEU  32   2.981   7.039  11.487
  257   3HD2  LEU  32          1HD2      LEU  32   4.128   5.751  11.118
  258    H    ASP  33           H        ASP  33   7.864   6.908   7.157
  259    HA   ASP  33           HA       ASP  33  10.379   6.779   8.566
  260   1HB   ASP  33          2HB       ASP  33   9.622   5.072   6.913
  261   2HB   ASP  33          1HB       ASP  33   9.829   6.264   5.629
  262    H    GLY  34           H        GLY  34   8.970   9.352   7.002
  263   1HA   GLY  34          1HA       GLY  34  11.620  10.648   6.663
  264   2HA   GLY  34          2HA       GLY  34  10.077  11.493   6.808
  265    H    ILE  35           H        ILE  35   9.117   9.219   4.857
  266    HA   ILE  35           HA       ILE  35  10.087  10.592   2.379
  267    HB   ILE  35           HB       ILE  35   9.001   7.801   2.291
  268   1HG1  ILE  35          2HG1      ILE  35  11.880   8.445   2.988
  269   2HG1  ILE  35          1HG1      ILE  35  10.690   7.879   4.160
  270   1HG2  ILE  35          2HG2      ILE  35   9.587   9.124   0.246
  271   2HG2  ILE  35          1HG2      ILE  35  11.256   9.187   0.812
  272   3HG2  ILE  35          3HG2      ILE  35  10.522   7.637   0.401
  273   1HD1  ILE  35          3HD1      ILE  35  11.121   6.338   1.614
  274   2HD1  ILE  35          2HD1      ILE  35  12.243   6.133   2.958
  275   3HD1  ILE  35          1HD1      ILE  35  10.532   5.762   3.173
  276    H    MET  36           H        MET  36   8.466  10.755   0.663
  277    HA   MET  36           HA       MET  36   5.733  11.035   1.793
  278   1HB   MET  36          2HB       MET  36   7.027  12.039  -0.757
  279   2HB   MET  36          1HB       MET  36   5.308  12.227  -0.411
  280   1HG   MET  36          2HG       MET  36   5.928  13.386   1.728
  281   2HG   MET  36          1HG       MET  36   7.618  13.311   1.228
  282   1HE   MET  36          3HE       MET  36   7.778  15.537   1.694
  283   2HE   MET  36          2HE       MET  36   7.512  16.849   0.549
  284   3HE   MET  36          1HE       MET  36   6.244  16.418   1.693
  285    H    PHE  37           H        PHE  37   4.694   9.079   1.671
  286    HA   PHE  37           HA       PHE  37   3.588   7.277   0.676
  287   1HB   PHE  37          2HB       PHE  37   2.918   8.888  -1.054
  288   2HB   PHE  37          1HB       PHE  37   4.437   8.614  -1.906
  289    HD1  PHE  37           HD1      PHE  37   4.998   6.101  -2.458
  290    HD2  PHE  37           HD2      PHE  37   1.053   7.580  -1.619
  291    HE1  PHE  37           HE1      PHE  37   4.019   4.128  -3.588
  292    HE2  PHE  37           HE2      PHE  37   0.073   5.605  -2.751
  293    HZ   PHE  37           HZ       PHE  37   1.555   3.877  -3.736
  294    H    ILE  38           H        ILE  38   6.519   7.981  -1.244
  295    HA   ILE  38           HA       ILE  38   7.265   5.479  -2.078
  296    HB   ILE  38           HB       ILE  38   9.038   7.589  -0.816
  297   1HG1  ILE  38          2HG1      ILE  38   8.322   6.892  -3.678
  298   2HG1  ILE  38          1HG1      ILE  38   7.875   8.359  -2.808
  299   1HG2  ILE  38          2HG2      ILE  38  10.009   5.230  -0.864
  300   2HG2  ILE  38          1HG2      ILE  38   9.898   5.318  -2.621
  301   3HG2  ILE  38          3HG2      ILE  38  10.929   6.449  -1.746
  302   1HD1  ILE  38          3HD1      ILE  38  10.618   8.298  -2.499
  303   2HD1  ILE  38          2HD1      ILE  38  10.406   7.665  -4.131
  304   3HD1  ILE  38          1HD1      ILE  38   9.758   9.250  -3.708
  305    H    ASN  39           H        ASN  39   7.239   6.643   1.235
  306    HA   ASN  39           HA       ASN  39   8.837   4.652   2.468
  307   1HB   ASN  39          2HB       ASN  39   7.658   6.708   3.533
  308   2HB   ASN  39          1HB       ASN  39   6.264   5.639   3.689
  309   1HD2  ASN  39          1HD2      ASN  39   6.450   5.560   6.061
  310   2HD2  ASN  39          2HD2      ASN  39   7.716   4.712   6.809
  311    H    LYS  40           H        LYS  40   5.270   4.646   2.071
  312    HA   LYS  40           HA       LYS  40   4.718   2.064   2.931
  313   1HB   LYS  40          2HB       LYS  40   3.544   3.345   0.443
  314   2HB   LYS  40          1HB       LYS  40   2.807   2.065   1.407
  315   1HG   LYS  40          2HG       LYS  40   3.423   4.887   2.338
  316   2HG   LYS  40          1HG       LYS  40   1.822   4.218   2.022
  317   1HD   LYS  40          2HD       LYS  40   2.252   2.498   3.795
  318   2HD   LYS  40          1HD       LYS  40   3.770   3.316   4.164
  319   1HE   LYS  40          2HE       LYS  40   1.119   4.770   4.179
  320   2HE   LYS  40          1HE       LYS  40   1.750   3.958   5.611
  321   1HZ   LYS  40          2HZ       LYS  40   3.767   5.531   4.409
  322   2HZ   LYS  40          1HZ       LYS  40   2.392   6.487   4.699
  323   3HZ   LYS  40          3HZ       LYS  40   3.120   5.640   5.976
  324    H    CYS  41           H        CYS  41   6.278   3.110  -0.016
  325    HA   CYS  41           HA       CYS  41   6.275   0.471  -1.276
  326   1HB   CYS  41          2HB       CYS  41   6.473   2.870  -2.348
  327   2HB   CYS  41          1HB       CYS  41   8.180   2.684  -1.976
  328    H    ALA  42           H        ALA  42   8.589   2.514   0.473
  329    HA   ALA  42           HA       ALA  42  10.747   0.574   0.299
  330   1HB   ALA  42          1HB       ALA  42  12.032   2.193   1.281
  331   2HB   ALA  42          3HB       ALA  42  10.690   3.229   0.795
  332   3HB   ALA  42          2HB       ALA  42  10.782   2.622   2.449
  333    H    THR  43           H        THR  43   8.052   1.067   2.446
  334    HA   THR  43           HA       THR  43   9.301  -0.698   4.492
  335    HB   THR  43           HB       THR  43   7.248  -0.104   5.833
  336    HG1  THR  43           HG1      THR  43   5.733   0.562   4.506
  337   1HG2  THR  43          2HG2      THR  43   9.549   1.374   5.316
  338   2HG2  THR  43          1HG2      THR  43   8.247   2.553   5.165
  339   3HG2  THR  43          3HG2      THR  43   8.432   1.630   6.656
  340    H    CYS  44           H        CYS  44   6.308  -0.458   2.544
  341    HA   CYS  44           HA       CYS  44   5.166  -2.920   3.328
  342   1HB   CYS  44          2HB       CYS  44   4.004  -1.237   1.923
  343   2HB   CYS  44          1HB       CYS  44   5.064  -1.650   0.575
  344    H    LYS  45           H        LYS  45   7.907  -2.276   1.266
  345    HA   LYS  45           HA       LYS  45   7.928  -4.778  -0.146
  346   1HB   LYS  45          2HB       LYS  45   9.322  -2.722  -0.698
  347   2HB   LYS  45          1HB       LYS  45  10.365  -3.166   0.654
  348   1HG   LYS  45          2HG       LYS  45  10.836  -5.332  -0.378
  349   2HG   LYS  45          1HG       LYS  45   9.715  -4.977  -1.692
  350   1HD   LYS  45          2HD       LYS  45  11.116  -3.030  -2.334
  351   2HD   LYS  45          1HD       LYS  45  12.252  -3.441  -1.049
  352   1HE   LYS  45          2HE       LYS  45  12.618  -5.657  -2.103
  353   2HE   LYS  45          1HE       LYS  45  11.516  -5.208  -3.404
  354   1HZ   LYS  45          1HZ       LYS  45  13.048  -3.197  -3.674
  355   2HZ   LYS  45          3HZ       LYS  45  14.169  -4.086  -2.762
  356   3HZ   LYS  45          2HZ       LYS  45  13.601  -4.700  -4.241
  357    H    MET  46           H        MET  46   9.692  -3.728   2.790
  358    HA   MET  46           HA       MET  46  10.648  -6.427   3.318
  359   1HB   MET  46          2HB       MET  46  10.538  -3.995   5.133
  360   2HB   MET  46          1HB       MET  46  11.446  -5.474   5.451
  361   1HG   MET  46          2HG       MET  46  12.724  -5.096   3.341
  362   2HG   MET  46          1HG       MET  46  11.869  -3.569   3.128
  363   1HE   MET  46          3HE       MET  46  13.590  -5.819   5.344
  364   2HE   MET  46          2HE       MET  46  15.030  -4.968   5.896
  365   3HE   MET  46          1HE       MET  46  13.556  -4.904   6.858
  366    H    ILE  47           H        ILE  47   7.836  -4.539   4.145
  367    HA   ILE  47           HA       ILE  47   6.997  -6.366   6.289
  368    HB   ILE  47           HB       ILE  47   5.522  -4.108   4.896
  369   1HG1  ILE  47          2HG1      ILE  47   6.822  -4.184   7.633
  370   2HG1  ILE  47          1HG1      ILE  47   7.585  -3.484   6.205
  371   1HG2  ILE  47          2HG2      ILE  47   4.833  -5.959   7.159
  372   2HG2  ILE  47          1HG2      ILE  47   4.216  -4.306   7.171
  373   3HG2  ILE  47          3HG2      ILE  47   3.813  -5.389   5.838
  374   1HD1  ILE  47          1HD1      ILE  47   4.843  -2.634   7.161
  375   2HD1  ILE  47          3HD1      ILE  47   6.323  -1.848   7.711
  376   3HD1  ILE  47          2HD1      ILE  47   5.889  -1.812   6.002
  377    H    LEU  48           H        LEU  48   6.548  -5.989   2.854
  378    HA   LEU  48           HA       LEU  48   4.186  -7.714   2.731
  379   1HB   LEU  48          2HB       LEU  48   4.579  -5.961   1.029
  380   2HB   LEU  48          1HB       LEU  48   6.062  -6.776   0.536
  381    HG   LEU  48           HG       LEU  48   4.869  -8.663  -0.295
  382   1HD1  LEU  48          3HD1      LEU  48   2.622  -7.543   1.363
  383   2HD1  LEU  48          2HD1      LEU  48   2.263  -8.603  -0.001
  384   3HD1  LEU  48          1HD1      LEU  48   3.265  -9.186   1.329
  385   1HD2  LEU  48          1HD2      LEU  48   3.311  -6.137  -0.927
  386   2HD2  LEU  48          3HD2      LEU  48   4.728  -6.737  -1.789
  387   3HD2  LEU  48          2HD2      LEU  48   3.210  -7.632  -1.856
  388    H    GLU  49           H        GLU  49   7.623  -8.118   2.777
  389    HA   GLU  49           HA       GLU  49   7.639 -10.747   1.518
  390   1HB   GLU  49          2HB       GLU  49   9.663  -9.229   3.182
  391   2HB   GLU  49          1HB       GLU  49   9.967 -10.849   2.555
  392   1HG   GLU  49          2HG       GLU  49   9.536 -10.022   0.256
  393   2HG   GLU  49          1HG       GLU  49   9.283  -8.399   0.899
  394    H    LYS  50           H        LYS  50   7.261  -9.479   4.767
  395    HA   LYS  50           HA       LYS  50   7.771 -11.849   6.252
  396   1HB   LYS  50          2HB       LYS  50   5.759  -9.644   6.805
  397   2HB   LYS  50          1HB       LYS  50   6.308 -10.838   7.981
  398   1HG   LYS  50          2HG       LYS  50   8.630 -10.033   7.707
  399   2HG   LYS  50          1HG       LYS  50   8.072  -8.830   6.545
  400   1HD   LYS  50          2HD       LYS  50   6.601  -7.857   8.301
  401   2HD   LYS  50          1HD       LYS  50   7.244  -9.024   9.457
  402   1HE   LYS  50          2HE       LYS  50   9.539  -8.125   9.007
  403   2HE   LYS  50          1HE       LYS  50   8.812  -6.887   7.982
  404   1HZ   LYS  50          2HZ       LYS  50   7.489  -7.012  10.482
  405   2HZ   LYS  50          1HZ       LYS  50   9.157  -6.797  10.719
  406   3HZ   LYS  50          3HZ       LYS  50   8.290  -5.699   9.761
  407    H    GLU  51           H        GLU  51   4.886 -10.751   4.514
  408    HA   GLU  51           HA       GLU  51   3.060 -12.707   5.470
  409   1HB   GLU  51          2HB       GLU  51   3.243 -11.407   2.734
  410   2HB   GLU  51          1HB       GLU  51   1.855 -12.325   3.317
  411   1HG   GLU  51          2HG       GLU  51   2.986  -9.838   4.636
  412   2HG   GLU  51          1HG       GLU  51   1.534  -9.887   3.637
  413    H    ALA  52           H        ALA  52   5.614 -12.887   3.055
  414    HA   ALA  52           HA       ALA  52   4.851 -15.342   1.821
  415   1HB   ALA  52          3HB       ALA  52   7.742 -14.706   2.304
  416   2HB   ALA  52          1HB       ALA  52   6.795 -13.627   1.280
  417   3HB   ALA  52          2HB       ALA  52   6.964 -15.329   0.848
  418    H    LYS  53           H        LYS  53   6.374 -14.633   4.893
  419    HA   LYS  53           HA       LYS  53   7.491 -17.188   5.460
  420   1HB   LYS  53          2HB       LYS  53   6.263 -15.134   7.325
  421   2HB   LYS  53          1HB       LYS  53   7.205 -16.526   7.860
  422   1HG   LYS  53          2HG       LYS  53   9.110 -15.710   6.450
  423   2HG   LYS  53          1HG       LYS  53   8.167 -14.267   6.078
  424   1HD   LYS  53          2HD       LYS  53   8.011 -13.796   8.531
  425   2HD   LYS  53          1HD       LYS  53   9.073 -15.172   8.828
  426   1HE   LYS  53          2HE       LYS  53  10.286 -13.563   6.807
  427   2HE   LYS  53          1HE       LYS  53   9.799 -12.493   8.121
  428   1HZ   LYS  53          2HZ       LYS  53  11.032 -14.993   8.924
  429   2HZ   LYS  53          1HZ       LYS  53  12.057 -13.899   8.125
  430   3HZ   LYS  53          3HZ       LYS  53  11.250 -13.424   9.539
  431    H    SER  54           H        SER  54   4.187 -15.963   5.730
  432    HA   SER  54           HA       SER  54   3.079 -18.103   7.244
  433   1HB   SER  54          2HB       SER  54   1.714 -16.547   5.028
  434   2HB   SER  54          1HB       SER  54   0.927 -17.398   6.357
  435    HG   SER  54           HG       SER  54   2.226 -15.962   7.745
  436    H    GLN  55           H        GLN  55   3.927 -17.841   3.846
  437    HA   GLN  55           HA       GLN  55   4.051 -20.643   3.435
  438   1HB   GLN  55          2HB       GLN  55   1.579 -20.508   3.735
  439   2HB   GLN  55          1HB       GLN  55   1.499 -19.398   2.367
  440   1HG   GLN  55          2HG       GLN  55   2.456 -21.116   0.894
  441   2HG   GLN  55          1HG       GLN  55   2.600 -22.224   2.259
  442   1HE2  GLN  55          1HE2      GLN  55   1.057 -23.162   0.191
  443   2HE2  GLN  55          2HE2      GLN  55  -0.595 -23.077   0.572

  No H/Q in entry =         443
  Start of MODEL   11
    1    H1   LYS   1          3H        LYS   1  -4.572  -6.018 -13.066
    2    H2   LYS   1          2H        LYS   1  -5.556  -6.414 -14.393
    3    H3   LYS   1          1H        LYS   1  -6.257  -6.086 -12.880
    4    HA   LYS   1           HA       LYS   1  -6.276  -8.281 -12.578
    5   1HB   LYS   1          2HB       LYS   1  -4.152  -8.380 -14.741
    6   2HB   LYS   1          1HB       LYS   1  -4.877  -9.802 -13.991
    7   1HG   LYS   1          2HG       LYS   1  -7.125  -8.984 -14.724
    8   2HG   LYS   1          1HG       LYS   1  -6.329  -7.657 -15.570
    9   1HD   LYS   1          2HD       LYS   1  -5.028  -9.335 -16.888
   10   2HD   LYS   1          1HD       LYS   1  -5.944 -10.620 -16.099
   11   1HE   LYS   1          2HE       LYS   1  -7.146 -10.285 -18.088
   12   2HE   LYS   1          1HE       LYS   1  -8.039  -9.298 -16.931
   13   1HZ   LYS   1          3HZ       LYS   1  -5.846  -8.213 -18.598
   14   2HZ   LYS   1          2HZ       LYS   1  -7.468  -8.203 -19.102
   15   3HZ   LYS   1          1HZ       LYS   1  -7.003  -7.351 -17.707
   16    H    ASN   2           H        ASN   2  -4.832  -9.986 -11.551
   17    HA   ASN   2           HA       ASN   2  -3.236 -10.523  -9.917
   18   1HB   ASN   2          2HB       ASN   2  -1.600  -8.537 -11.526
   19   2HB   ASN   2          1HB       ASN   2  -0.947  -9.645 -10.319
   20   1HD2  ASN   2          1HD2      ASN   2  -0.134  -9.765 -13.076
   21   2HD2  ASN   2          2HD2      ASN   2  -0.694 -11.228 -13.731
   22    H    GLU   3           H        GLU   3  -5.110  -8.693  -9.051
   23    HA   GLU   3           HA       GLU   3  -4.009  -6.252  -8.023
   24   1HB   GLU   3          2HB       GLU   3  -6.355  -7.923  -7.074
   25   2HB   GLU   3          1HB       GLU   3  -5.986  -6.304  -6.482
   26   1HG   GLU   3          2HG       GLU   3  -6.140  -5.454  -8.823
   27   2HG   GLU   3          1HG       GLU   3  -6.615  -7.069  -9.349
   28    H    ASP   4           H        ASP   4  -4.226  -9.537  -6.703
   29    HA   ASP   4           HA       ASP   4  -3.447  -9.013  -4.044
   30   1HB   ASP   4          2HB       ASP   4  -2.471 -11.388  -5.644
   31   2HB   ASP   4          1HB       ASP   4  -2.800 -11.312  -3.913
   32    H    GLN   5           H        GLN   5  -1.495  -9.224  -6.979
   33    HA   GLN   5           HA       GLN   5   1.076  -9.279  -5.765
   34   1HB   GLN   5          2HB       GLN   5   0.148  -8.068  -8.385
   35   2HB   GLN   5          1HB       GLN   5   1.843  -8.217  -7.922
   36   1HG   GLN   5          2HG       GLN   5   1.552 -10.667  -7.688
   37   2HG   GLN   5          1HG       GLN   5  -0.131 -10.506  -8.188
   38   1HE2  GLN   5          1HE2      GLN   5   1.640 -12.094  -9.733
   39   2HE2  GLN   5          2HE2      GLN   5   1.927 -11.321 -11.217
   40    H    GLU   6           H        GLU   6  -1.043  -6.544  -6.614
   41    HA   GLU   6           HA       GLU   6   0.758  -4.445  -5.995
   42   1HB   GLU   6          2HB       GLU   6  -2.252  -4.568  -5.631
   43   2HB   GLU   6          1HB       GLU   6  -1.294  -3.089  -5.554
   44   1HG   GLU   6          2HG       GLU   6  -0.496  -3.513  -7.870
   45   2HG   GLU   6          1HG       GLU   6  -1.518  -4.948  -7.942
   46    H    MET   7           H        MET   7  -1.416  -6.312  -3.890
   47    HA   MET   7           HA       MET   7  -1.015  -4.848  -1.497
   48   1HB   MET   7          2HB       MET   7  -1.545  -7.791  -1.979
   49   2HB   MET   7          1HB       MET   7  -1.514  -7.074  -0.367
   50   1HG   MET   7          2HG       MET   7  -3.300  -5.511  -1.010
   51   2HG   MET   7          1HG       MET   7  -3.311  -6.177  -2.643
   52   1HE   MET   7          3HE       MET   7  -5.523  -6.426  -2.677
   53   2HE   MET   7          2HE       MET   7  -6.467  -7.777  -2.053
   54   3HE   MET   7          1HE       MET   7  -6.254  -6.331  -1.069
   55    H    CYS   8           H        CYS   8   1.120  -6.971  -3.232
   56    HA   CYS   8           HA       CYS   8   2.853  -7.711  -1.069
   57   1HB   CYS   8          2HB       CYS   8   3.348  -7.393  -4.041
   58   2HB   CYS   8          1HB       CYS   8   4.567  -7.999  -2.923
   59    H    HIS   9           H        HIS   9   2.738  -4.885  -3.200
   60    HA   HIS   9           HA       HIS   9   5.221  -3.718  -2.452
   61   1HB   HIS   9          2HB       HIS   9   4.042  -2.782  -4.317
   62   2HB   HIS   9          1HB       HIS   9   2.600  -2.494  -3.345
   63    HD1  HIS   9           HD1      HIS   9   2.989  -0.724  -1.284
   64    HD2  HIS   9           HD2      HIS   9   5.768  -0.618  -4.389
   65    HE1  HIS   9           HE1      HIS   9   4.194   1.496  -1.091
   66    H    GLU  10           H        GLU  10   1.955  -2.972  -1.168
   67    HA   GLU  10           HA       GLU  10   2.803  -1.288   0.936
   68   1HB   GLU  10          2HB       GLU  10   0.432  -3.174   0.820
   69   2HB   GLU  10          1HB       GLU  10   0.645  -1.916   2.037
   70   1HG   GLU  10          2HG       GLU  10   0.447  -1.490  -0.962
   71   2HG   GLU  10          1HG       GLU  10  -0.788  -1.086   0.231
   72    H    PHE  11           H        PHE  11   2.195  -4.819   1.033
   73    HA   PHE  11           HA       PHE  11   3.061  -5.108   3.765
   74   1HB   PHE  11          2HB       PHE  11   2.229  -6.857   1.575
   75   2HB   PHE  11          1HB       PHE  11   3.530  -7.562   2.532
   76    HD1  PHE  11           HD1      PHE  11   1.219  -5.124   4.020
   77    HD2  PHE  11           HD2      PHE  11   2.048  -9.306   3.465
   78    HE1  PHE  11           HE1      PHE  11  -0.403  -5.686   5.808
   79    HE2  PHE  11           HE2      PHE  11   0.426  -9.861   5.245
   80    HZ   PHE  11           HZ       PHE  11  -0.800  -8.055   6.422
   81    H    GLN  12           H        GLN  12   4.785  -4.453   0.929
   82    HA   GLN  12           HA       GLN  12   7.204  -5.931   1.470
   83   1HB   GLN  12          2HB       GLN  12   6.579  -4.882  -0.745
   84   2HB   GLN  12          1HB       GLN  12   6.950  -3.311  -0.035
   85   1HG   GLN  12          2HG       GLN  12   9.239  -4.329   0.575
   86   2HG   GLN  12          1HG       GLN  12   8.825  -5.622  -0.551
   87   1HE2  GLN  12          1HE2      GLN  12   7.304  -3.788  -2.358
   88   2HE2  GLN  12          2HE2      GLN  12   8.472  -2.859  -3.166
   89    H    ALA  13           H        ALA  13   6.017  -2.728   2.418
   90    HA   ALA  13           HA       ALA  13   8.509  -1.868   3.605
   91   1HB   ALA  13          3HB       ALA  13   7.387   0.063   4.042
   92   2HB   ALA  13          1HB       ALA  13   6.022  -0.786   4.767
   93   3HB   ALA  13          2HB       ALA  13   6.133  -0.630   3.014
   94    H    PHE  14           H        PHE  14   5.778  -3.771   4.712
   95    HA   PHE  14           HA       PHE  14   6.701  -3.695   7.512
   96   1HB   PHE  14          2HB       PHE  14   4.469  -5.250   6.169
   97   2HB   PHE  14          1HB       PHE  14   4.782  -5.233   7.904
   98    HD1  PHE  14           HD1      PHE  14   4.592  -3.083   9.185
   99    HD2  PHE  14           HD2      PHE  14   3.367  -3.424   5.081
  100    HE1  PHE  14           HE1      PHE  14   3.287  -0.985   9.400
  101    HE2  PHE  14           HE2      PHE  14   2.061  -1.326   5.297
  102    HZ   PHE  14           HZ       PHE  14   2.021  -0.107   7.457
  103    H    MET  15           H        MET  15   7.822  -5.206   4.842
  104    HA   MET  15           HA       MET  15   8.173  -7.888   6.009
  105   1HB   MET  15          2HB       MET  15   7.856  -7.338   3.497
  106   2HB   MET  15          1HB       MET  15   9.552  -6.853   3.533
  107   1HG   MET  15          2HG       MET  15   8.705  -9.515   4.657
  108   2HG   MET  15          1HG       MET  15   8.974  -9.325   2.924
  109   1HE   MET  15          1HE       MET  15  10.648  -7.842   2.141
  110   2HE   MET  15          3HE       MET  15  12.167  -7.383   2.923
  111   3HE   MET  15          2HE       MET  15  12.058  -8.891   2.018
  112    H    LYS  16           H        LYS  16  10.059  -8.604   6.978
  113    HA   LYS  16           HA       LYS  16  12.467  -6.870   6.850
  114   1HB   LYS  16          2HB       LYS  16  11.129  -7.759   9.422
  115   2HB   LYS  16          1HB       LYS  16  12.720  -7.004   9.326
  116   1HG   LYS  16          2HG       LYS  16  11.598  -5.063   8.125
  117   2HG   LYS  16          1HG       LYS  16  10.052  -5.791   8.563
  118   1HD   LYS  16          2HD       LYS  16  10.792  -5.752  10.966
  119   2HD   LYS  16          1HD       LYS  16  12.224  -4.855  10.460
  120   1HE   LYS  16          2HE       LYS  16   9.330  -3.992  10.249
  121   2HE   LYS  16          1HE       LYS  16  10.622  -3.217  11.165
  122   1HZ   LYS  16          3HZ       LYS  16  11.744  -3.048   8.858
  123   2HZ   LYS  16          2HZ       LYS  16  10.166  -3.248   8.260
  124   3HZ   LYS  16          1HZ       LYS  16  10.532  -1.938   9.277
  125    H    ASN  17           H        ASN  17  14.401  -8.039   7.131
  126    HA   ASN  17           HA       ASN  17  15.708  -9.985   6.874
  127   1HB   ASN  17          2HB       ASN  17  13.872 -10.777   9.156
  128   2HB   ASN  17          1HB       ASN  17  15.362 -11.618   8.729
  129   1HD2  ASN  17          1HD2      ASN  17  14.978 -10.309  11.290
  130   2HD2  ASN  17          2HD2      ASN  17  16.074  -9.015  11.378
  131    H    GLY  18           H        GLY  18  13.092  -9.826   5.351
  132   1HA   GLY  18          1HA       GLY  18  13.119 -12.591   4.402
  133   2HA   GLY  18          2HA       GLY  18  12.147 -11.277   3.737
  134    H    LYS  19           H        LYS  19  11.067 -10.560   6.394
  135    HA   LYS  19           HA       LYS  19   9.028 -12.719   6.558
  136   1HB   LYS  19          2HB       LYS  19  10.890 -12.896   8.365
  137   2HB   LYS  19          1HB       LYS  19  10.138 -11.463   9.062
  138   1HG   LYS  19          2HG       LYS  19   8.008 -13.203   8.470
  139   2HG   LYS  19          1HG       LYS  19   9.259 -14.225   9.176
  140   1HD   LYS  19          2HD       LYS  19   9.461 -12.398  10.991
  141   2HD   LYS  19          1HD       LYS  19   7.917 -11.803  10.381
  142   1HE   LYS  19          2HE       LYS  19   6.870 -13.964  10.810
  143   2HE   LYS  19          1HE       LYS  19   8.419 -14.649  11.302
  144   1HZ   LYS  19          2HZ       LYS  19   7.762 -12.244  12.714
  145   2HZ   LYS  19          1HZ       LYS  19   6.610 -13.470  12.950
  146   3HZ   LYS  19          3HZ       LYS  19   8.240 -13.758  13.317
  147    H    LEU  20           H        LEU  20   6.968 -11.887   6.819
  148    HA   LEU  20           HA       LEU  20   6.660  -8.977   6.703
  149   1HB   LEU  20          2HB       LEU  20   4.705 -11.286   6.746
  150   2HB   LEU  20          1HB       LEU  20   4.174  -9.604   6.784
  151    HG   LEU  20           HG       LEU  20   6.186 -10.153   4.733
  152   1HD1  LEU  20          1HD1      LEU  20   4.073 -12.048   5.067
  153   2HD1  LEU  20          3HD1      LEU  20   3.732 -11.101   3.619
  154   3HD1  LEU  20          2HD1      LEU  20   5.262 -11.967   3.767
  155   1HD2  LEU  20          3HD2      LEU  20   3.662  -8.632   5.103
  156   2HD2  LEU  20          2HD2      LEU  20   5.181  -8.125   4.365
  157   3HD2  LEU  20          1HD2      LEU  20   4.044  -9.119   3.451
  158    H    PHE  21           H        PHE  21   5.723  -7.685   8.344
  159    HA   PHE  21           HA       PHE  21   5.900  -8.891  11.040
  160   1HB   PHE  21          2HB       PHE  21   6.058  -6.132   9.940
  161   2HB   PHE  21          1HB       PHE  21   5.325  -6.294  11.537
  162    HD1  PHE  21           HD1      PHE  21   7.999  -8.404  10.016
  163    HD2  PHE  21           HD2      PHE  21   7.013  -5.458  12.983
  164    HE1  PHE  21           HE1      PHE  21  10.250  -8.668  11.023
  165    HE2  PHE  21           HE2      PHE  21   9.264  -5.720  13.990
  166    HZ   PHE  21           HZ       PHE  21  10.882  -7.325  13.011
  167    H    CYS  22           H        CYS  22   3.761  -9.573   9.250
  168    HA   CYS  22           HA       CYS  22   1.324  -8.294   9.522
  169   1HB   CYS  22          2HB       CYS  22   2.139 -11.146   9.397
  170   2HB   CYS  22          1HB       CYS  22   0.502 -10.835   9.974
  171    HA   PRO  23           HA       PRO  23   0.758  -7.950  13.947
  172   1HB   PRO  23          2HB       PRO  23  -1.807  -7.102  13.896
  173   2HB   PRO  23          1HB       PRO  23  -0.443  -6.054  13.499
  174   1HG   PRO  23          2HG       PRO  23  -2.317  -7.506  11.671
  175   2HG   PRO  23          1HG       PRO  23  -1.695  -5.858  11.545
  176   1HD   PRO  23          2HD       PRO  23  -0.676  -7.905  10.093
  177   2HD   PRO  23          1HD       PRO  23   0.311  -6.547  10.634
  178    H    GLN  24           H        GLN  24  -0.137  -9.246  15.563
  179    HA   GLN  24           HA       GLN  24  -1.156 -11.823  14.838
  180   1HB   GLN  24          2HB       GLN  24  -1.223 -10.348  17.487
  181   2HB   GLN  24          1HB       GLN  24  -1.635 -12.051  17.285
  182   1HG   GLN  24          2HG       GLN  24   0.612 -12.528  16.444
  183   2HG   GLN  24          1HG       GLN  24   1.032 -10.817  16.532
  184   1HE2  GLN  24          1HE2      GLN  24   2.511 -12.771  18.012
  185   2HE2  GLN  24          2HE2      GLN  24   2.218 -12.530  19.666
  186    H    ASP  25           H        ASP  25  -2.714  -8.772  15.576
  187    HA   ASP  25           HA       ASP  25  -5.341  -9.782  16.110
  188   1HB   ASP  25          2HB       ASP  25  -4.432  -7.136  14.940
  189   2HB   ASP  25          1HB       ASP  25  -6.086  -7.479  15.447
  190    H    LYS  26           H        LYS  26  -7.107 -10.098  14.690
  191    HA   LYS  26           HA       LYS  26  -6.395 -10.991  12.018
  192   1HB   LYS  26          2HB       LYS  26  -8.202 -12.030  13.426
  193   2HB   LYS  26          1HB       LYS  26  -9.162 -10.570  13.185
  194   1HG   LYS  26          2HG       LYS  26  -9.018 -10.920  10.722
  195   2HG   LYS  26          1HG       LYS  26  -8.144 -12.425  11.011
  196   1HD   LYS  26          2HD       LYS  26 -10.095 -13.237  12.357
  197   2HD   LYS  26          1HD       LYS  26 -10.969 -11.774  11.903
  198   1HE   LYS  26          2HE       LYS  26 -11.274 -12.468   9.734
  199   2HE   LYS  26          1HE       LYS  26  -9.740 -13.336   9.686
  200   1HZ   LYS  26          1HZ       LYS  26 -12.102 -14.238  11.238
  201   2HZ   LYS  26          3HZ       LYS  26 -11.735 -14.786   9.676
  202   3HZ   LYS  26          2HZ       LYS  26 -10.665 -15.101  10.958
  203    H    LYS  27           H        LYS  27  -6.697  -9.911  10.086
  204    HA   LYS  27           HA       LYS  27  -7.830  -7.147  10.277
  205   1HB   LYS  27          2HB       LYS  27  -5.352  -8.190   9.084
  206   2HB   LYS  27          1HB       LYS  27  -6.280  -7.160   7.994
  207   1HG   LYS  27          2HG       LYS  27  -6.290  -5.354   9.594
  208   2HG   LYS  27          1HG       LYS  27  -5.603  -6.390  10.845
  209   1HD   LYS  27          2HD       LYS  27  -3.584  -5.622  10.176
  210   2HD   LYS  27          1HD       LYS  27  -3.797  -6.625   8.742
  211   1HE   LYS  27          2HE       LYS  27  -5.214  -4.046   8.617
  212   2HE   LYS  27          1HE       LYS  27  -3.459  -3.894   8.707
  213   1HZ   LYS  27          2HZ       LYS  27  -3.345  -5.557   6.879
  214   2HZ   LYS  27          1HZ       LYS  27  -5.032  -5.432   6.719
  215   3HZ   LYS  27          3HZ       LYS  27  -4.052  -4.078   6.433
  216    HA   PRO  28           HA       PRO  28 -10.768  -8.124   7.114
  217   1HB   PRO  28          2HB       PRO  28 -10.677  -5.982   5.471
  218   2HB   PRO  28          1HB       PRO  28 -11.386  -5.922   7.087
  219   1HG   PRO  28          2HG       PRO  28  -8.677  -5.035   6.168
  220   2HG   PRO  28          1HG       PRO  28  -9.798  -4.224   7.266
  221   1HD   PRO  28          2HD       PRO  28  -7.668  -5.632   8.162
  222   2HD   PRO  28          1HD       PRO  28  -9.177  -5.528   9.070
  223    H    ILE  29           H        ILE  29  -8.748  -9.726   6.498
  224    HA   ILE  29           HA       ILE  29  -8.240  -9.217   3.594
  225    HB   ILE  29           HB       ILE  29  -6.212 -10.888   4.202
  226   1HG1  ILE  29          2HG1      ILE  29  -5.234  -9.991   6.381
  227   2HG1  ILE  29          1HG1      ILE  29  -6.834  -9.338   6.727
  228   1HG2  ILE  29          2HG2      ILE  29  -6.500  -8.229   3.479
  229   2HG2  ILE  29          1HG2      ILE  29  -5.520  -8.137   4.943
  230   3HG2  ILE  29          3HG2      ILE  29  -4.971  -9.104   3.572
  231   1HD1  ILE  29          3HD1      ILE  29  -7.178 -12.038   5.879
  232   2HD1  ILE  29          2HD1      ILE  29  -5.894 -12.023   7.089
  233   3HD1  ILE  29          1HD1      ILE  29  -7.480 -11.358   7.479
  234    H    GLN  30           H        GLN  30  -7.896 -11.284   2.368
  235    HA   GLN  30           HA       GLN  30  -9.175 -13.662   3.598
  236   1HB   GLN  30          2HB       GLN  30 -10.947 -12.282   2.428
  237   2HB   GLN  30          1HB       GLN  30 -10.071 -12.555   0.921
  238   1HG   GLN  30          2HG       GLN  30 -10.333 -14.977   1.179
  239   2HG   GLN  30          1HG       GLN  30 -11.124 -14.746   2.738
  240   1HE2  GLN  30          1HE2      GLN  30 -12.618 -16.103   0.859
  241   2HE2  GLN  30          2HE2      GLN  30 -13.841 -15.110   0.229
  242    H    SER  31           H        SER  31  -7.931 -15.401   3.089
  243    HA   SER  31           HA       SER  31  -5.790 -15.114   1.127
  244   1HB   SER  31          2HB       SER  31  -6.156 -16.631   3.422
  245   2HB   SER  31          1HB       SER  31  -6.270 -17.820   2.122
  246    HG   SER  31           HG       SER  31  -4.250 -17.483   1.600
  247    H    LEU  32           H        LEU  32  -5.660 -16.061  -0.865
  248    HA   LEU  32           HA       LEU  32  -8.150 -16.867  -2.144
  249   1HB   LEU  32          2HB       LEU  32  -5.278 -16.765  -3.112
  250   2HB   LEU  32          1HB       LEU  32  -6.642 -17.204  -4.140
  251    HG   LEU  32           HG       LEU  32  -7.702 -15.009  -3.590
  252   1HD1  LEU  32          3HD1      LEU  32  -5.128 -14.704  -2.052
  253   2HD1  LEU  32          2HD1      LEU  32  -5.993 -13.291  -2.655
  254   3HD1  LEU  32          1HD1      LEU  32  -6.776 -14.383  -1.513
  255   1HD2  LEU  32          2HD2      LEU  32  -5.996 -15.499  -5.533
  256   2HD2  LEU  32          1HD2      LEU  32  -6.477 -13.835  -5.201
  257   3HD2  LEU  32          3HD2      LEU  32  -4.932 -14.441  -4.606
  258    H    ASP  33           H        ASP  33  -5.454 -18.453  -0.650
  259    HA   ASP  33           HA       ASP  33  -5.735 -21.008  -1.955
  260   1HB   ASP  33          2HB       ASP  33  -4.515 -20.166   0.682
  261   2HB   ASP  33          1HB       ASP  33  -4.503 -21.838   0.124
  262    H    GLY  34           H        GLY  34  -7.783 -19.356   0.129
  263   1HA   GLY  34          1HA       GLY  34  -9.184 -21.900   0.800
  264   2HA   GLY  34          2HA       GLY  34  -9.963 -20.321   0.677
  265    H    ILE  35           H        ILE  35  -7.425 -19.286   2.166
  266    HA   ILE  35           HA       ILE  35  -8.214 -20.236   4.890
  267    HB   ILE  35           HB       ILE  35  -5.696 -18.697   4.263
  268   1HG1  ILE  35          2HG1      ILE  35  -5.289 -21.559   4.508
  269   2HG1  ILE  35          1HG1      ILE  35  -6.329 -21.193   3.133
  270   1HG2  ILE  35          2HG2      ILE  35  -6.854 -19.547   6.616
  271   2HG2  ILE  35          1HG2      ILE  35  -5.720 -20.852   6.265
  272   3HG2  ILE  35          3HG2      ILE  35  -5.139 -19.192   6.407
  273   1HD1  ILE  35          3HD1      ILE  35  -4.610 -19.398   2.502
  274   2HD1  ILE  35          2HD1      ILE  35  -3.544 -20.154   3.687
  275   3HD1  ILE  35          1HD1      ILE  35  -4.100 -21.073   2.289
  276    H    MET  36           H        MET  36  -8.635 -18.664   6.507
  277    HA   MET  36           HA       MET  36  -9.443 -16.020   5.431
  278   1HB   MET  36          2HB       MET  36  -9.924 -17.354   8.116
  279   2HB   MET  36          1HB       MET  36 -10.528 -15.758   7.674
  280   1HG   MET  36          2HG       MET  36 -11.718 -16.791   5.735
  281   2HG   MET  36          1HG       MET  36 -11.187 -18.377   6.294
  282   1HE   MET  36          2HE       MET  36 -13.306 -19.123   6.112
  283   2HE   MET  36          1HE       MET  36 -14.507 -19.124   7.400
  284   3HE   MET  36          3HE       MET  36 -14.558 -17.884   6.139
  285    H    PHE  37           H        PHE  37  -6.588 -16.884   5.977
  286    HA   PHE  37           HA       PHE  37  -5.850 -15.078   8.205
  287   1HB   PHE  37          2HB       PHE  37  -4.745 -17.277   8.083
  288   2HB   PHE  37          1HB       PHE  37  -4.142 -16.887   6.472
  289    HD1  PHE  37           HD1      PHE  37  -3.855 -16.152  10.073
  290    HD2  PHE  37           HD2      PHE  37  -2.362 -15.250   6.148
  291    HE1  PHE  37           HE1      PHE  37  -1.907 -14.994  11.080
  292    HE2  PHE  37           HE2      PHE  37  -0.415 -14.091   7.155
  293    HZ   PHE  37           HZ       PHE  37  -0.186 -13.964   9.621
  294    H    ILE  38           H        ILE  38  -3.958 -13.566   7.771
  295    HA   ILE  38           HA       ILE  38  -4.577 -11.653   5.821
  296    HB   ILE  38           HB       ILE  38  -1.795 -12.275   6.856
  297   1HG1  ILE  38          2HG1      ILE  38  -3.934 -10.449   7.998
  298   2HG1  ILE  38          1HG1      ILE  38  -3.482 -12.014   8.674
  299   1HG2  ILE  38          3HG2      ILE  38  -2.022 -10.686   4.903
  300   2HG2  ILE  38          2HG2      ILE  38  -3.014  -9.656   5.936
  301   3HG2  ILE  38          1HG2      ILE  38  -1.326  -9.957   6.351
  302   1HD1  ILE  38          1HD1      ILE  38  -1.140 -11.181   8.926
  303   2HD1  ILE  38          3HD1      ILE  38  -1.675  -9.598   8.363
  304   3HD1  ILE  38          2HD1      ILE  38  -2.298 -10.252   9.877
  305    H    ASN  39           H        ASN  39  -4.945 -12.429   3.760
  306    HA   ASN  39           HA       ASN  39  -3.509 -14.408   2.374
  307   1HB   ASN  39          2HB       ASN  39  -5.635 -13.349   1.609
  308   2HB   ASN  39          1HB       ASN  39  -4.722 -11.910   1.167
  309   1HD2  ASN  39          1HD2      ASN  39  -3.981 -15.418   0.727
  310   2HD2  ASN  39          2HD2      ASN  39  -3.745 -15.308  -0.948
  311    H    LYS  40           H        LYS  40  -2.776 -10.962   2.750
  312    HA   LYS  40           HA       LYS  40  -0.727 -10.816   0.801
  313   1HB   LYS  40          2HB       LYS  40  -1.036  -9.324   3.417
  314   2HB   LYS  40          1HB       LYS  40   0.124  -8.892   2.160
  315   1HG   LYS  40          2HG       LYS  40  -1.801  -8.706   0.550
  316   2HG   LYS  40          1HG       LYS  40  -2.896  -8.945   1.912
  317   1HD   LYS  40          2HD       LYS  40  -0.805  -6.752   1.815
  318   2HD   LYS  40          1HD       LYS  40  -2.481  -6.521   1.315
  319   1HE   LYS  40          2HE       LYS  40  -1.944  -7.734   4.002
  320   2HE   LYS  40          1HE       LYS  40  -1.730  -5.995   3.805
  321   1HZ   LYS  40          1HZ       LYS  40  -4.166  -7.222   2.742
  322   2HZ   LYS  40          3HZ       LYS  40  -4.047  -7.017   4.421
  323   3HZ   LYS  40          2HZ       LYS  40  -3.929  -5.670   3.391
  324    H    CYS  41           H        CYS  41  -0.544 -11.629   4.260
  325    HA   CYS  41           HA       CYS  41   2.311 -12.216   4.121
  326   1HB   CYS  41          2HB       CYS  41   0.155 -12.436   6.181
  327   2HB   CYS  41          1HB       CYS  41   1.585 -13.447   6.381
  328    H    ALA  42           H        ALA  42  -0.674 -13.942   3.646
  329    HA   ALA  42           HA       ALA  42   0.526 -16.598   3.829
  330   1HB   ALA  42          2HB       ALA  42  -2.043 -16.152   2.386
  331   2HB   ALA  42          1HB       ALA  42  -1.618 -17.392   3.566
  332   3HB   ALA  42          3HB       ALA  42  -2.001 -15.757   4.104
  333    H    THR  43           H        THR  43  -0.253 -14.302   1.246
  334    HA   THR  43           HA       THR  43   0.990 -16.229  -0.677
  335    HB   THR  43           HB       THR  43  -0.338 -14.894  -2.420
  336    HG1  THR  43           HG1      THR  43  -1.065 -13.157  -1.400
  337   1HG2  THR  43          1HG2      THR  43  -0.920 -17.186  -1.520
  338   2HG2  THR  43          3HG2      THR  43  -1.990 -16.387  -0.369
  339   3HG2  THR  43          2HG2      THR  43  -2.300 -16.253  -2.100
  340    H    CYS  44           H        CYS  44   0.410 -12.691  -0.348
  341    HA   CYS  44           HA       CYS  44   2.444 -11.834  -2.067
  342   1HB   CYS  44          2HB       CYS  44   0.974 -10.662   0.181
  343   2HB   CYS  44          1HB       CYS  44   2.590  -9.988  -0.011
  344    H    LYS  45           H        LYS  45   2.713 -13.166   1.170
  345    HA   LYS  45           HA       LYS  45   5.303 -12.324   1.880
  346   1HB   LYS  45          2HB       LYS  45   3.920 -13.679   3.383
  347   2HB   LYS  45          1HB       LYS  45   4.036 -15.053   2.284
  348   1HG   LYS  45          2HG       LYS  45   6.418 -15.229   2.649
  349   2HG   LYS  45          1HG       LYS  45   6.440 -13.717   3.556
  350   1HD   LYS  45          2HD       LYS  45   4.766 -14.865   5.150
  351   2HD   LYS  45          1HD       LYS  45   5.246 -16.369   4.365
  352   1HE   LYS  45          2HE       LYS  45   7.495 -14.637   5.172
  353   2HE   LYS  45          1HE       LYS  45   6.544 -15.273   6.514
  354   1HZ   LYS  45          2HZ       LYS  45   6.784 -17.498   5.516
  355   2HZ   LYS  45          1HZ       LYS  45   7.820 -16.841   4.341
  356   3HZ   LYS  45          3HZ       LYS  45   8.272 -16.818   5.975
  357    H    MET  46           H        MET  46   4.452 -15.299   0.067
  358    HA   MET  46           HA       MET  46   7.177 -15.882  -0.653
  359   1HB   MET  46          2HB       MET  46   4.610 -16.709  -2.051
  360   2HB   MET  46          1HB       MET  46   6.193 -17.458  -2.267
  361   1HG   MET  46          2HG       MET  46   6.225 -18.092   0.115
  362   2HG   MET  46          1HG       MET  46   4.650 -17.331   0.344
  363   1HE   MET  46          1HE       MET  46   6.629 -19.279  -1.947
  364   2HE   MET  46          3HE       MET  46   6.226 -20.918  -1.418
  365   3HE   MET  46          2HE       MET  46   5.499 -20.256  -2.880
  366    H    ILE  47           H        ILE  47   4.545 -14.095  -2.210
  367    HA   ILE  47           HA       ILE  47   5.830 -13.609  -4.709
  368    HB   ILE  47           HB       ILE  47   3.919 -11.804  -3.189
  369   1HG1  ILE  47          2HG1      ILE  47   2.919 -13.987  -3.441
  370   2HG1  ILE  47          1HG1      ILE  47   2.207 -12.935  -4.665
  371   1HG2  ILE  47          3HG2      ILE  47   4.837 -11.929  -6.064
  372   2HG2  ILE  47          2HG2      ILE  47   3.314 -11.164  -5.609
  373   3HG2  ILE  47          1HG2      ILE  47   4.838 -10.540  -4.977
  374   1HD1  ILE  47          2HD1      ILE  47   4.249 -13.837  -6.117
  375   2HD1  ILE  47          1HD1      ILE  47   4.143 -15.192  -4.994
  376   3HD1  ILE  47          3HD1      ILE  47   2.751 -14.757  -5.986
  377    H    LEU  48           H        LEU  48   6.106 -12.079  -1.544
  378    HA   LEU  48           HA       LEU  48   7.542  -9.743  -2.304
  379   1HB   LEU  48          2HB       LEU  48   6.632 -10.544   0.041
  380   2HB   LEU  48          1HB       LEU  48   8.239 -11.248   0.204
  381    HG   LEU  48           HG       LEU  48   8.519  -9.109   1.130
  382   1HD1  LEU  48          2HD1      LEU  48  10.172  -9.572  -0.686
  383   2HD1  LEU  48          1HD1      LEU  48   9.142  -8.681  -1.806
  384   3HD1  LEU  48          3HD1      LEU  48   9.888  -7.849  -0.442
  385   1HD2  LEU  48          2HD2      LEU  48   6.310  -8.466  -0.640
  386   2HD2  LEU  48          1HD2      LEU  48   6.826  -7.658   0.841
  387   3HD2  LEU  48          3HD2      LEU  48   7.559  -7.221  -0.703
  388    H    GLU  49           H        GLU  49   8.635 -13.055  -1.619
  389    HA   GLU  49           HA       GLU  49  11.431 -12.597  -1.735
  390   1HB   GLU  49          2HB       GLU  49   9.886 -15.029  -2.687
  391   2HB   GLU  49          1HB       GLU  49  11.614 -14.985  -2.334
  392   1HG   GLU  49          2HG       GLU  49  11.128 -14.378   0.004
  393   2HG   GLU  49          1HG       GLU  49   9.399 -14.394  -0.345
  394    H    LYS  50           H        LYS  50   9.053 -13.017  -4.319
  395    HA   LYS  50           HA       LYS  50  10.721 -13.428  -6.527
  396   1HB   LYS  50          2HB       LYS  50   8.206 -13.282  -6.575
  397   2HB   LYS  50          1HB       LYS  50   8.359 -11.527  -6.484
  398   1HG   LYS  50          2HG       LYS  50   9.697 -11.538  -8.560
  399   2HG   LYS  50          1HG       LYS  50   9.539 -13.292  -8.652
  400   1HD   LYS  50          2HD       LYS  50   7.065 -13.035  -8.757
  401   2HD   LYS  50          1HD       LYS  50   7.267 -11.283  -8.749
  402   1HE   LYS  50          2HE       LYS  50   7.632 -11.292 -10.970
  403   2HE   LYS  50          1HE       LYS  50   8.983 -12.406 -10.760
  404   1HZ   LYS  50          3HZ       LYS  50   6.254 -13.464 -10.607
  405   2HZ   LYS  50          2HZ       LYS  50   6.889 -13.087 -12.137
  406   3HZ   LYS  50          1HZ       LYS  50   7.676 -14.218 -11.143
  407    H    GLU  51           H        GLU  51   9.965 -10.357  -4.891
  408    HA   GLU  51           HA       GLU  51  11.294  -8.596  -6.651
  409   1HB   GLU  51          2HB       GLU  51   9.912  -7.911  -4.671
  410   2HB   GLU  51          1HB       GLU  51  11.246  -8.398  -3.624
  411   1HG   GLU  51          2HG       GLU  51  12.730  -6.797  -4.834
  412   2HG   GLU  51          1HG       GLU  51  11.340  -6.265  -5.780
  413    H    ALA  52           H        ALA  52  12.593 -10.747  -4.174
  414    HA   ALA  52           HA       ALA  52  15.242  -9.667  -4.093
  415   1HB   ALA  52          2HB       ALA  52  15.499 -12.424  -3.693
  416   2HB   ALA  52          3HB       ALA  52  13.868 -12.049  -3.134
  417   3HB   ALA  52          1HB       ALA  52  15.254 -11.206  -2.442
  418    H    LYS  53           H        LYS  53  13.618 -11.784  -6.364
  419    HA   LYS  53           HA       LYS  53  15.898 -12.900  -7.652
  420   1HB   LYS  53          2HB       LYS  53  13.188 -12.155  -8.793
  421   2HB   LYS  53          1HB       LYS  53  14.383 -13.150  -9.624
  422   1HG   LYS  53          2HG       LYS  53  14.332 -14.744  -7.701
  423   2HG   LYS  53          1HG       LYS  53  13.052 -13.776  -6.971
  424   1HD   LYS  53          2HD       LYS  53  11.674 -14.130  -9.028
  425   2HD   LYS  53          1HD       LYS  53  12.933 -15.198  -9.648
  426   1HE   LYS  53          2HE       LYS  53  12.393 -16.064  -7.010
  427   2HE   LYS  53          1HE       LYS  53  10.825 -15.793  -7.769
  428   1HZ   LYS  53          3HZ       LYS  53  12.321 -17.023  -9.696
  429   2HZ   LYS  53          2HZ       LYS  53  12.749 -17.839  -8.268
  430   3HZ   LYS  53          1HZ       LYS  53  11.120 -17.750  -8.744
  431    H    SER  54           H        SER  54  14.331  -9.756  -7.973
  432    HA   SER  54           HA       SER  54  15.637  -8.915 -10.371
  433   1HB   SER  54          2HB       SER  54  15.027  -6.665  -9.715
  434   2HB   SER  54          1HB       SER  54  13.706  -7.740  -9.256
  435    HG   SER  54           HG       SER  54  14.314  -6.287  -7.579
  436    H    GLN  55           H        GLN  55  16.745  -9.187  -7.074
  437    HA   GLN  55           HA       GLN  55  18.867  -8.833  -6.138
  438   1HB   GLN  55          2HB       GLN  55  19.658  -8.795  -9.067
  439   2HB   GLN  55          1HB       GLN  55  20.791  -8.887  -7.718
  440   1HG   GLN  55          2HG       GLN  55  19.777 -10.997  -6.983
  441   2HG   GLN  55          1HG       GLN  55  18.587 -10.896  -8.281
  442   1HE2  GLN  55          1HE2      GLN  55  20.347 -13.128  -8.135
  443   2HE2  GLN  55          2HE2      GLN  55  21.434 -13.056  -9.436

  No H/Q in entry =         443
  Start of MODEL   12
    1    H1   LYS   1          1H        LYS   1  23.327  -4.708  -3.349
    2    H2   LYS   1          3H        LYS   1  24.127  -6.127  -3.822
    3    H3   LYS   1          2H        LYS   1  24.098  -4.782  -4.861
    4    HA   LYS   1           HA       LYS   1  22.372  -5.755  -5.848
    5   1HB   LYS   1          2HB       LYS   1  21.243  -7.690  -4.920
    6   2HB   LYS   1          1HB       LYS   1  22.970  -7.859  -4.603
    7   1HG   LYS   1          2HG       LYS   1  22.582  -6.862  -2.329
    8   2HG   LYS   1          1HG       LYS   1  20.850  -6.899  -2.659
    9   1HD   LYS   1          2HD       LYS   1  21.134  -9.394  -3.134
   10   2HD   LYS   1          1HD       LYS   1  22.748  -9.246  -2.439
   11   1HE   LYS   1          2HE       LYS   1  21.179  -7.967  -0.564
   12   2HE   LYS   1          1HE       LYS   1  20.130  -9.278  -1.102
   13   1HZ   LYS   1          2HZ       LYS   1  22.936  -9.898  -0.554
   14   2HZ   LYS   1          1HZ       LYS   1  21.910  -9.633   0.774
   15   3HZ   LYS   1          3HZ       LYS   1  21.551 -10.859  -0.341
   16    H    ASN   2           H        ASN   2  20.049  -5.407  -5.904
   17    HA   ASN   2           HA       ASN   2  18.122  -4.170  -5.397
   18   1HB   ASN   2          2HB       ASN   2  19.044  -4.529  -2.531
   19   2HB   ASN   2          1HB       ASN   2  17.405  -4.169  -3.074
   20   1HD2  ASN   2          1HD2      ASN   2  17.169  -5.968  -5.251
   21   2HD2  ASN   2          2HD2      ASN   2  17.262  -7.560  -4.669
   22    H    GLU   3           H        GLU   3  20.354  -2.648  -6.110
   23    HA   GLU   3           HA       GLU   3  21.026  -0.586  -4.246
   24   1HB   GLU   3          2HB       GLU   3  22.264  -1.062  -6.375
   25   2HB   GLU   3          1HB       GLU   3  20.912  -0.365  -7.268
   26   1HG   GLU   3          2HG       GLU   3  21.215   1.760  -5.997
   27   2HG   GLU   3          1HG       GLU   3  22.627   1.056  -5.208
   28    H    ASP   4           H        ASP   4  18.336  -0.974  -6.496
   29    HA   ASP   4           HA       ASP   4  17.327   1.664  -6.498
   30   1HB   ASP   4          2HB       ASP   4  16.456  -0.304  -7.844
   31   2HB   ASP   4          1HB       ASP   4  15.623  -0.838  -6.382
   32    H    GLN   5           H        GLN   5  17.184  -0.822  -4.022
   33    HA   GLN   5           HA       GLN   5  15.110   0.217  -2.402
   34   1HB   GLN   5          2HB       GLN   5  16.342  -1.963  -2.052
   35   2HB   GLN   5          1HB       GLN   5  17.679  -1.027  -1.384
   36   1HG   GLN   5          2HG       GLN   5  16.204  -0.115   0.351
   37   2HG   GLN   5          1HG       GLN   5  14.830  -0.979  -0.339
   38   1HE2  GLN   5          1HE2      GLN   5  15.387  -1.591   2.287
   39   2HE2  GLN   5          2HE2      GLN   5  16.130  -3.112   2.412
   40    H    GLU   6           H        GLU   6  18.529   1.136  -2.623
   41    HA   GLU   6           HA       GLU   6  18.578   2.917  -0.396
   42   1HB   GLU   6          2HB       GLU   6  20.582   2.110  -1.708
   43   2HB   GLU   6          1HB       GLU   6  20.123   3.240  -2.983
   44   1HG   GLU   6          2HG       GLU   6  20.263   5.107  -1.356
   45   2HG   GLU   6          1HG       GLU   6  20.766   3.967  -0.108
   46    H    MET   7           H        MET   7  17.709   3.448  -3.808
   47    HA   MET   7           HA       MET   7  17.343   6.272  -3.631
   48   1HB   MET   7          2HB       MET   7  15.915   4.253  -5.390
   49   2HB   MET   7          1HB       MET   7  15.906   5.999  -5.636
   50   1HG   MET   7          2HG       MET   7  18.325   4.173  -5.707
   51   2HG   MET   7          1HG       MET   7  17.604   5.022  -7.074
   52   1HE   MET   7          3HE       MET   7  16.867   7.262  -6.824
   53   2HE   MET   7          2HE       MET   7  17.343   8.406  -5.571
   54   3HE   MET   7          1HE       MET   7  18.240   8.346  -7.087
   55    H    CYS   8           H        CYS   8  15.359   3.591  -2.590
   56    HA   CYS   8           HA       CYS   8  12.893   5.079  -2.357
   57   1HB   CYS   8          2HB       CYS   8  13.842   2.540  -1.003
   58   2HB   CYS   8          1HB       CYS   8  12.200   3.173  -0.884
   59    H    HIS   9           H        HIS   9  15.731   4.736  -0.358
   60    HA   HIS   9           HA       HIS   9  14.774   5.390   2.186
   61   1HB   HIS   9          2HB       HIS   9  17.102   4.980   2.005
   62   2HB   HIS   9          1HB       HIS   9  17.300   6.177   0.726
   63    HD1  HIS   9           HD1      HIS   9  16.671   8.750   1.574
   64    HD2  HIS   9           HD2      HIS   9  17.760   5.981   4.494
   65    HE1  HIS   9           HE1      HIS   9  17.330  10.088   3.617
   66    H    GLU  10           H        GLU  10  15.635   7.661  -0.440
   67    HA   GLU  10           HA       GLU  10  14.827  10.017   0.980
   68   1HB   GLU  10          2HB       GLU  10  15.023   9.469  -1.996
   69   2HB   GLU  10          1HB       GLU  10  14.781  11.068  -1.292
   70   1HG   GLU  10          2HG       GLU  10  16.898  10.783  -0.005
   71   2HG   GLU  10          1HG       GLU  10  17.151   9.236  -0.813
   72    H    PHE  11           H        PHE  11  13.083   7.853  -1.256
   73    HA   PHE  11           HA       PHE  11  10.680   9.472  -1.226
   74   1HB   PHE  11          2HB       PHE  11  11.586   7.069  -2.536
   75   2HB   PHE  11          1HB       PHE  11   9.998   6.781  -1.828
   76    HD1  PHE  11           HD1      PHE  11   9.044   9.720  -1.994
   77    HD2  PHE  11           HD2      PHE  11  10.889   7.094  -4.854
   78    HE1  PHE  11           HE1      PHE  11   8.003  10.996  -3.842
   79    HE2  PHE  11           HE2      PHE  11   9.843   8.372  -6.698
   80    HZ   PHE  11           HZ       PHE  11   8.401  10.324  -6.194
   81    H    GLN  12           H        GLN  12  12.078   7.219   0.949
   82    HA   GLN  12           HA       GLN  12   9.685   6.202   2.173
   83   1HB   GLN  12          2HB       GLN  12  11.946   5.212   2.514
   84   2HB   GLN  12          1HB       GLN  12  12.408   6.644   3.433
   85   1HG   GLN  12          2HG       GLN  12  10.557   6.192   5.027
   86   2HG   GLN  12          1HG       GLN  12  10.157   4.731   4.124
   87   1HE2  GLN  12          1HE2      GLN  12  10.830   4.291   6.746
   88   2HE2  GLN  12          2HE2      GLN  12  12.398   3.654   6.879
   89    H    ALA  13           H        ALA  13  11.582   9.142   2.632
   90    HA   ALA  13           HA       ALA  13  10.353   9.985   5.080
   91   1HB   ALA  13          1HB       ALA  13  12.401  10.936   3.581
   92   2HB   ALA  13          2HB       ALA  13  11.585  11.898   4.813
   93   3HB   ALA  13          3HB       ALA  13  11.135  12.072   3.116
   94    H    PHE  14           H        PHE  14   9.286  10.023   1.764
   95    HA   PHE  14           HA       PHE  14   7.092  11.914   2.364
   96   1HB   PHE  14          2HB       PHE  14   7.869  10.436  -0.167
   97   2HB   PHE  14          1HB       PHE  14   6.513  11.558  -0.048
   98    HD1  PHE  14           HD1      PHE  14   6.926  13.965   0.506
   99    HD2  PHE  14           HD2      PHE  14  10.132  11.218  -0.287
  100    HE1  PHE  14           HE1      PHE  14   8.474  15.871   0.160
  101    HE2  PHE  14           HE2      PHE  14  11.680  13.125  -0.634
  102    HZ   PHE  14           HZ       PHE  14  10.851  15.451  -0.411
  103    H    MET  15           H        MET  15   7.603   8.738   2.987
  104    HA   MET  15           HA       MET  15   5.045   7.653   2.072
  105   1HB   MET  15          2HB       MET  15   7.279   6.381   2.547
  106   2HB   MET  15          1HB       MET  15   6.743   6.413   4.227
  107   1HG   MET  15          2HG       MET  15   5.015   5.403   1.952
  108   2HG   MET  15          1HG       MET  15   6.042   4.351   2.927
  109   1HE   MET  15          3HE       MET  15   6.014   4.163   5.364
  110   2HE   MET  15          2HE       MET  15   5.830   5.851   5.834
  111   3HE   MET  15          1HE       MET  15   4.717   4.642   6.468
  112    H    LYS  16           H        LYS  16   3.142   7.711   3.199
  113    HA   LYS  16           HA       LYS  16   3.238   8.340   6.109
  114   1HB   LYS  16          2HB       LYS  16   1.526   9.780   4.060
  115   2HB   LYS  16          1HB       LYS  16   1.397   9.982   5.807
  116   1HG   LYS  16          2HG       LYS  16   3.816  10.668   5.838
  117   2HG   LYS  16          1HG       LYS  16   3.801  10.623   4.075
  118   1HD   LYS  16          2HD       LYS  16   1.934  12.279   4.087
  119   2HD   LYS  16          1HD       LYS  16   2.066  12.374   5.843
  120   1HE   LYS  16          2HE       LYS  16   4.667  12.767   5.103
  121   2HE   LYS  16          1HE       LYS  16   3.817  13.521   3.755
  122   1HZ   LYS  16          1HZ       LYS  16   2.888  14.102   6.468
  123   2HZ   LYS  16          3HZ       LYS  16   4.330  14.832   5.953
  124   3HZ   LYS  16          2HZ       LYS  16   2.891  15.092   5.087
  125    H    ASN  17           H        ASN  17   1.462   7.484   7.276
  126    HA   ASN  17           HA       ASN  17  -0.137   5.807   7.693
  127   1HB   ASN  17          2HB       ASN  17  -1.259   6.871   5.083
  128   2HB   ASN  17          1HB       ASN  17  -2.154   5.996   6.326
  129   1HD2  ASN  17          1HD2      ASN  17  -1.013   7.291   8.640
  130   2HD2  ASN  17          2HD2      ASN  17  -1.524   8.910   8.640
  131    H    GLY  18           H        GLY  18   2.238   5.134   5.950
  132   1HA   GLY  18          1HA       GLY  18   1.284   2.498   5.122
  133   2HA   GLY  18          2HA       GLY  18   2.946   3.080   5.009
  134    H    LYS  19           H        LYS  19   1.760   5.572   3.638
  135    HA   LYS  19           HA       LYS  19   1.459   4.313   0.941
  136   1HB   LYS  19          2HB       LYS  19  -0.623   5.457   1.939
  137   2HB   LYS  19          1HB       LYS  19   0.257   6.970   1.724
  138   1HG   LYS  19          2HG       LYS  19   0.566   5.574  -0.702
  139   2HG   LYS  19          1HG       LYS  19  -1.127   5.367  -0.258
  140   1HD   LYS  19          2HD       LYS  19  -1.048   7.933   0.243
  141   2HD   LYS  19          1HD       LYS  19   0.395   7.914  -0.773
  142   1HE   LYS  19          2HE       LYS  19  -2.268   6.750  -1.633
  143   2HE   LYS  19          1HE       LYS  19  -1.756   8.393  -2.018
  144   1HZ   LYS  19          2HZ       LYS  19   0.387   6.891  -2.716
  145   2HZ   LYS  19          1HZ       LYS  19  -0.917   5.900  -3.166
  146   3HZ   LYS  19          3HZ       LYS  19  -0.796   7.473  -3.788
  147    H    LEU  20           H        LEU  20   2.918   5.034  -0.561
  148    HA   LEU  20           HA       LEU  20   4.909   7.017   0.291
  149   1HB   LEU  20          2HB       LEU  20   5.744   5.107  -0.929
  150   2HB   LEU  20          1HB       LEU  20   4.594   5.378  -2.239
  151    HG   LEU  20           HG       LEU  20   5.681   7.654  -2.562
  152   1HD1  LEU  20          3HD1      LEU  20   6.827   7.217  -0.164
  153   2HD1  LEU  20          2HD1      LEU  20   8.113   6.610  -1.208
  154   3HD1  LEU  20          1HD1      LEU  20   7.546   8.271  -1.381
  155   1HD2  LEU  20          2HD2      LEU  20   7.256   5.104  -2.974
  156   2HD2  LEU  20          1HD2      LEU  20   6.198   5.914  -4.130
  157   3HD2  LEU  20          3HD2      LEU  20   7.734   6.651  -3.673
  158    H    PHE  21           H        PHE  21   4.463   9.151   0.035
  159    HA   PHE  21           HA       PHE  21   2.563   9.968  -2.093
  160   1HB   PHE  21          2HB       PHE  21   3.733  11.403   0.301
  161   2HB   PHE  21          1HB       PHE  21   2.773  12.229  -0.927
  162    HD1  PHE  21           HD1      PHE  21   2.726   9.561   1.651
  163    HD2  PHE  21           HD2      PHE  21   0.391  11.934  -1.064
  164    HE1  PHE  21           HE1      PHE  21   0.647   8.765   2.743
  165    HE2  PHE  21           HE2      PHE  21  -1.688  11.137   0.028
  166    HZ   PHE  21           HZ       PHE  21  -1.560   9.553   1.932
  167    H    CYS  22           H        CYS  22   3.347  10.725  -3.986
  168    HA   CYS  22           HA       CYS  22   6.086  11.931  -3.989
  169   1HB   CYS  22          2HB       CYS  22   4.928  10.365  -6.300
  170   2HB   CYS  22          1HB       CYS  22   6.608  10.829  -6.030
  171    HA   PRO  23           HA       PRO  23   3.070  14.827  -6.045
  172   1HB   PRO  23          2HB       PRO  23   2.983  16.755  -4.167
  173   2HB   PRO  23          1HB       PRO  23   1.920  15.349  -4.141
  174   1HG   PRO  23          2HG       PRO  23   4.198  16.002  -2.407
  175   2HG   PRO  23          1HG       PRO  23   2.854  14.900  -2.118
  176   1HD   PRO  23          1HD       PRO  23   5.525  14.248  -2.932
  177   2HD   PRO  23          2HD       PRO  23   4.182  13.147  -2.640
  178    H    GLN  24           H        GLN  24   5.902  15.733  -4.067
  179    HA   GLN  24           HA       GLN  24   6.615  18.168  -5.142
  180   1HB   GLN  24          2HB       GLN  24   7.893  16.763  -3.426
  181   2HB   GLN  24          1HB       GLN  24   8.647  15.958  -4.802
  182   1HG   GLN  24          2HG       GLN  24   9.465  18.131  -5.631
  183   2HG   GLN  24          1HG       GLN  24   8.699  18.945  -4.267
  184   1HE2  GLN  24          1HE2      GLN  24  10.194  19.398  -2.649
  185   2HE2  GLN  24          2HE2      GLN  24  11.525  18.425  -2.245
  186    H    ASP  25           H        ASP  25   7.585  15.030  -6.541
  187    HA   ASP  25           HA       ASP  25   8.133  14.466  -8.753
  188   1HB   ASP  25          2HB       ASP  25   6.447  16.933  -9.266
  189   2HB   ASP  25          1HB       ASP  25   7.034  15.861 -10.537
  190    H    LYS  26           H        LYS  26  10.006  16.031  -7.230
  191    HA   LYS  26           HA       LYS  26  11.223  17.694  -9.401
  192   1HB   LYS  26          2HB       LYS  26  11.478  17.919  -6.388
  193   2HB   LYS  26          1HB       LYS  26  12.454  18.842  -7.531
  194   1HG   LYS  26          2HG       LYS  26  10.381  19.784  -8.516
  195   2HG   LYS  26          1HG       LYS  26   9.427  18.894  -7.330
  196   1HD   LYS  26          2HD       LYS  26  10.651  20.087  -5.510
  197   2HD   LYS  26          1HD       LYS  26  11.496  21.032  -6.736
  198   1HE   LYS  26          2HE       LYS  26   9.361  21.925  -7.550
  199   2HE   LYS  26          1HE       LYS  26   8.484  20.936  -6.383
  200   1HZ   LYS  26          2HZ       LYS  26  10.354  22.276  -4.902
  201   2HZ   LYS  26          1HZ       LYS  26   9.795  23.439  -6.006
  202   3HZ   LYS  26          3HZ       LYS  26   8.696  22.637  -4.993
  203    H    LYS  27           H        LYS  27  13.648  17.638  -9.409
  204    HA   LYS  27           HA       LYS  27  15.674  16.450  -9.433
  205   1HB   LYS  27          2HB       LYS  27  14.547  14.699  -7.247
  206   2HB   LYS  27          1HB       LYS  27  16.230  15.138  -7.540
  207   1HG   LYS  27          2HG       LYS  27  14.670  17.534  -7.198
  208   2HG   LYS  27          1HG       LYS  27  14.375  16.448  -5.840
  209   1HD   LYS  27          2HD       LYS  27  16.282  17.636  -5.149
  210   2HD   LYS  27          1HD       LYS  27  16.967  16.155  -5.820
  211   1HE   LYS  27          2HE       LYS  27  18.264  17.838  -6.831
  212   2HE   LYS  27          1HE       LYS  27  17.049  17.487  -8.059
  213   1HZ   LYS  27          3HZ       LYS  27  16.162  19.447  -6.178
  214   2HZ   LYS  27          2HZ       LYS  27  17.582  19.932  -6.976
  215   3HZ   LYS  27          1HZ       LYS  27  16.199  19.517  -7.872
  216    HA   PRO  28           HA       PRO  28  13.408  13.162 -11.869
  217   1HB   PRO  28          2HB       PRO  28  14.637  13.712 -14.212
  218   2HB   PRO  28          1HB       PRO  28  13.175  14.544 -13.675
  219   1HG   PRO  28          2HG       PRO  28  16.029  15.438 -13.529
  220   2HG   PRO  28          1HG       PRO  28  14.596  16.363 -13.988
  221   1HD   PRO  28          1HD       PRO  28  15.705  16.554 -11.527
  222   2HD   PRO  28          2HD       PRO  28  13.970  16.728 -11.793
  223    H    ILE  29           H        ILE  29  14.276  11.151 -11.718
  224    HA   ILE  29           HA       ILE  29  17.235  10.875 -12.076
  225    HB   ILE  29           HB       ILE  29  16.665  10.440  -9.763
  226   1HG1  ILE  29          2HG1      ILE  29  18.101   8.760 -11.281
  227   2HG1  ILE  29          1HG1      ILE  29  17.817   8.459  -9.570
  228   1HG2  ILE  29          3HG2      ILE  29  14.362   9.052 -11.019
  229   2HG2  ILE  29          2HG2      ILE  29  15.024   8.290  -9.573
  230   3HG2  ILE  29          1HG2      ILE  29  14.445   9.955  -9.507
  231   1HD1  ILE  29          3HD1      ILE  29  15.963   7.390 -11.710
  232   2HD1  ILE  29          2HD1      ILE  29  17.382   6.496 -11.167
  233   3HD1  ILE  29          1HD1      ILE  29  16.092   6.880 -10.027
  234    H    GLN  30           H        GLN  30  17.937   9.060 -13.298
  235    HA   GLN  30           HA       GLN  30  15.958   8.048 -15.205
  236   1HB   GLN  30          2HB       GLN  30  18.923   7.537 -14.838
  237   2HB   GLN  30          1HB       GLN  30  17.960   6.761 -16.095
  238   1HG   GLN  30          2HG       GLN  30  17.272   9.043 -16.889
  239   2HG   GLN  30          1HG       GLN  30  18.396   9.739 -15.722
  240   1HE2  GLN  30          1HE2      GLN  30  18.790  10.193 -18.498
  241   2HE2  GLN  30          2HE2      GLN  30  20.178   9.357 -19.003
  242    H    SER  31           H        SER  31  14.681   6.358 -14.670
  243    HA   SER  31           HA       SER  31  15.408   4.590 -12.452
  244   1HB   SER  31          2HB       SER  31  13.204   3.563 -12.882
  245   2HB   SER  31          1HB       SER  31  13.084   5.317 -12.729
  246    HG   SER  31           HG       SER  31  13.526   4.989 -15.222
  247    H    LEU  32           H        LEU  32  14.592   2.147 -13.051
  248    HA   LEU  32           HA       LEU  32  16.265   1.312 -15.387
  249   1HB   LEU  32          2HB       LEU  32  15.722  -0.285 -12.865
  250   2HB   LEU  32          1HB       LEU  32  16.854  -0.689 -14.155
  251    HG   LEU  32           HG       LEU  32  18.041   1.510 -13.618
  252   1HD1  LEU  32          1HD1      LEU  32  15.935   1.428 -11.506
  253   2HD1  LEU  32          3HD1      LEU  32  17.540   1.974 -11.020
  254   3HD1  LEU  32          2HD1      LEU  32  16.673   2.818 -12.302
  255   1HD2  LEU  32          2HD2      LEU  32  18.528  -0.952 -12.754
  256   2HD2  LEU  32          1HD2      LEU  32  19.429   0.419 -12.109
  257   3HD2  LEU  32          3HD2      LEU  32  18.078  -0.256 -11.197
  258    H    ASP  33           H        ASP  33  13.192   1.194 -13.833
  259    HA   ASP  33           HA       ASP  33  12.222  -1.227 -15.101
  260   1HB   ASP  33          2HB       ASP  33  10.839   1.111 -13.769
  261   2HB   ASP  33          1HB       ASP  33   9.958  -0.260 -14.444
  262    H    GLY  34           H        GLY  34  13.097   1.693 -16.405
  263   1HA   GLY  34          1HA       GLY  34  11.299   1.246 -18.739
  264   2HA   GLY  34          2HA       GLY  34  12.858   2.071 -18.804
  265    H    ILE  35           H        ILE  35  11.706   3.281 -16.075
  266    HA   ILE  35           HA       ILE  35   9.881   5.276 -17.315
  267    HB   ILE  35           HB       ILE  35  10.612   5.123 -14.390
  268   1HG1  ILE  35          1HG1      ILE  35   8.342   3.625 -15.726
  269   2HG1  ILE  35          2HG1      ILE  35   9.864   2.868 -15.259
  270   1HG2  ILE  35          2HG2      ILE  35   8.652   6.517 -16.088
  271   2HG2  ILE  35          1HG2      ILE  35   7.952   5.773 -14.650
  272   3HG2  ILE  35          3HG2      ILE  35   9.259   6.945 -14.489
  273   1HD1  ILE  35          3HD1      ILE  35   8.717   4.464 -13.096
  274   2HD1  ILE  35          2HD1      ILE  35   7.629   3.181 -13.626
  275   3HD1  ILE  35          1HD1      ILE  35   9.259   2.786 -13.081
  276    H    MET  36           H        MET  36  10.293   7.592 -16.244
  277    HA   MET  36           HA       MET  36  13.186   8.165 -16.700
  278   1HB   MET  36          2HB       MET  36  10.706   9.885 -16.951
  279   2HB   MET  36          1HB       MET  36  12.342  10.538 -17.040
  280   1HG   MET  36          2HG       MET  36  12.837   8.991 -18.918
  281   2HG   MET  36          1HG       MET  36  11.179   8.393 -18.845
  282   1HE   MET  36          2HE       MET  36  13.065  11.699 -18.543
  283   2HE   MET  36          1HE       MET  36  13.578  11.140 -20.133
  284   3HE   MET  36          3HE       MET  36  12.597  12.605 -19.981
  285    H    PHE  37           H        PHE  37  11.176   7.647 -14.161
  286    HA   PHE  37           HA       PHE  37  12.847   8.533 -12.139
  287   1HB   PHE  37          2HB       PHE  37  12.764  10.806 -12.762
  288   2HB   PHE  37          1HB       PHE  37  11.049  10.726 -13.159
  289    HD1  PHE  37           HD1      PHE  37  12.597   9.281 -10.115
  290    HD2  PHE  37           HD2      PHE  37  10.262  12.500 -11.738
  291    HE1  PHE  37           HE1      PHE  37  12.027  10.024  -7.821
  292    HE2  PHE  37           HE2      PHE  37   9.691  13.243  -9.443
  293    HZ   PHE  37           HZ       PHE  37  10.574  12.006  -7.483
  294    H    ILE  38           H        ILE  38   9.389   8.969 -12.895
  295    HA   ILE  38           HA       ILE  38   8.185   8.524 -10.474
  296    HB   ILE  38           HB       ILE  38   7.390   7.210 -13.089
  297   1HG1  ILE  38          1HG1      ILE  38   6.581   9.850 -11.833
  298   2HG1  ILE  38          2HG1      ILE  38   7.630   9.661 -13.237
  299   1HG2  ILE  38          1HG2      ILE  38   5.835   7.773 -10.547
  300   2HG2  ILE  38          3HG2      ILE  38   5.102   7.265 -12.069
  301   3HG2  ILE  38          2HG2      ILE  38   6.212   6.187 -11.222
  302   1HD1  ILE  38          3HD1      ILE  38   4.844   8.495 -13.175
  303   2HD1  ILE  38          2HD1      ILE  38   5.140  10.154 -13.695
  304   3HD1  ILE  38          1HD1      ILE  38   5.866   8.811 -14.578
  305    H    ASN  39           H        ASN  39   9.969   6.145 -12.335
  306    HA   ASN  39           HA       ASN  39   9.108   3.720 -11.326
  307   1HB   ASN  39          2HB       ASN  39  11.093   4.152 -12.869
  308   2HB   ASN  39          1HB       ASN  39  12.042   4.441 -11.411
  309   1HD2  ASN  39          1HD2      ASN  39  13.315   2.536 -11.319
  310   2HD2  ASN  39          2HD2      ASN  39  12.664   0.969 -11.262
  311    H    LYS  40           H        LYS  40  11.539   5.802  -9.674
  312    HA   LYS  40           HA       LYS  40  11.883   4.293  -7.370
  313   1HB   LYS  40          2HB       LYS  40  11.600   7.304  -7.572
  314   2HB   LYS  40          1HB       LYS  40  12.219   6.460  -6.153
  315   1HG   LYS  40          2HG       LYS  40  14.024   5.480  -7.526
  316   2HG   LYS  40          1HG       LYS  40  13.411   6.339  -8.939
  317   1HD   LYS  40          2HD       LYS  40  15.314   7.529  -7.834
  318   2HD   LYS  40          1HD       LYS  40  13.836   8.489  -7.866
  319   1HE   LYS  40          2HE       LYS  40  14.048   6.769  -5.496
  320   2HE   LYS  40          1HE       LYS  40  15.343   7.960  -5.609
  321   1HZ   LYS  40          2HZ       LYS  40  12.974   9.235  -6.314
  322   2HZ   LYS  40          1HZ       LYS  40  12.653   8.358  -4.895
  323   3HZ   LYS  40          3HZ       LYS  40  13.918   9.488  -4.924
  324    H    CYS  41           H        CYS  41   9.317   6.694  -7.907
  325    HA   CYS  41           HA       CYS  41   7.928   6.116  -5.449
  326   1HB   CYS  41          2HB       CYS  41   7.654   8.190  -6.865
  327   2HB   CYS  41          1HB       CYS  41   6.769   7.211  -8.023
  328    H    ALA  42           H        ALA  42   7.356   5.169  -8.820
  329    HA   ALA  42           HA       ALA  42   5.138   3.453  -8.329
  330   1HB   ALA  42          2HB       ALA  42   5.406   2.713 -10.550
  331   2HB   ALA  42          1HB       ALA  42   6.059   4.351 -10.569
  332   3HB   ALA  42          3HB       ALA  42   7.151   2.968 -10.516
  333    H    THR  43           H        THR  43   8.581   2.916  -7.882
  334    HA   THR  43           HA       THR  43   8.055   0.002  -7.512
  335    HB   THR  43           HB       THR  43  10.596  -0.111  -7.403
  336    HG1  THR  43           HG1      THR  43  11.050   2.006  -6.913
  337   1HG2  THR  43          3HG2      THR  43   9.067   0.840  -9.815
  338   2HG2  THR  43          2HG2      THR  43  10.794   0.501  -9.926
  339   3HG2  THR  43          1HG2      THR  43   9.673  -0.777  -9.457
  340    H    CYS  44           H        CYS  44   9.455   2.822  -5.854
  341    HA   CYS  44           HA       CYS  44  10.163   1.488  -3.447
  342   1HB   CYS  44          2HB       CYS  44   9.331   4.354  -3.957
  343   2HB   CYS  44          1HB       CYS  44   9.947   3.779  -2.407
  344    H    LYS  45           H        LYS  45   7.057   2.545  -4.667
  345    HA   LYS  45           HA       LYS  45   5.587   2.700  -2.259
  346   1HB   LYS  45          2HB       LYS  45   4.743   3.142  -4.631
  347   2HB   LYS  45          1HB       LYS  45   4.548   1.396  -4.786
  348   1HG   LYS  45          2HG       LYS  45   3.067   1.392  -2.804
  349   2HG   LYS  45          1HG       LYS  45   3.253   3.141  -2.667
  350   1HD   LYS  45          2HD       LYS  45   2.269   3.423  -4.913
  351   2HD   LYS  45          1HD       LYS  45   2.087   1.674  -5.055
  352   1HE   LYS  45          2HE       LYS  45   0.857   3.257  -2.788
  353   2HE   LYS  45          1HE       LYS  45   0.005   2.953  -4.303
  354   1HZ   LYS  45          2HZ       LYS  45   0.980   0.514  -3.611
  355   2HZ   LYS  45          1HZ       LYS  45   0.524   1.177  -2.115
  356   3HZ   LYS  45          3HZ       LYS  45  -0.614   1.048  -3.365
  357    H    MET  46           H        MET  46   6.297  -0.168  -4.267
  358    HA   MET  46           HA       MET  46   5.078  -1.988  -2.348
  359   1HB   MET  46          2HB       MET  46   7.000  -2.532  -4.635
  360   2HB   MET  46          1HB       MET  46   6.090  -3.758  -3.751
  361   1HG   MET  46          2HG       MET  46   3.973  -2.640  -4.454
  362   2HG   MET  46          1HG       MET  46   4.922  -1.502  -5.411
  363   1HE   MET  46          1HE       MET  46   6.887  -2.311  -6.555
  364   2HE   MET  46          3HE       MET  46   7.279  -4.020  -6.785
  365   3HE   MET  46          2HE       MET  46   6.516  -3.106  -8.083
  366    H    ILE  47           H        ILE  47   8.194  -0.521  -2.797
  367    HA   ILE  47           HA       ILE  47   9.646  -2.431  -1.134
  368    HB   ILE  47           HB       ILE  47  10.398   0.388  -1.969
  369   1HG1  ILE  47          2HG1      ILE  47  11.133  -2.274  -3.223
  370   2HG1  ILE  47          1HG1      ILE  47   9.934  -1.158  -3.876
  371   1HG2  ILE  47          2HG2      ILE  47  11.691  -1.689  -0.350
  372   2HG2  ILE  47          1HG2      ILE  47  12.695  -1.129  -1.688
  373   3HG2  ILE  47          3HG2      ILE  47  12.084   0.024  -0.501
  374   1HD1  ILE  47          1HD1      ILE  47  12.711  -0.179  -3.265
  375   2HD1  ILE  47          3HD1      ILE  47  12.400  -1.052  -4.766
  376   3HD1  ILE  47          2HD1      ILE  47  11.542   0.451  -4.426
  377    H    LEU  48           H        LEU  48   7.985   0.654  -0.664
  378    HA   LEU  48           HA       LEU  48   8.964   1.039   2.043
  379   1HB   LEU  48          2HB       LEU  48   6.587   2.208   0.567
  380   2HB   LEU  48          1HB       LEU  48   7.101   2.720   2.174
  381    HG   LEU  48           HG       LEU  48   8.670   2.917  -0.409
  382   1HD1  LEU  48          3HD1      LEU  48   7.190   4.779   1.359
  383   2HD1  LEU  48          2HD1      LEU  48   8.758   5.353   0.790
  384   3HD1  LEU  48          1HD1      LEU  48   7.515   4.888  -0.371
  385   1HD2  LEU  48          1HD2      LEU  48   9.550   2.815   2.414
  386   2HD2  LEU  48          3HD2      LEU  48  10.463   2.498   0.939
  387   3HD2  LEU  48          2HD2      LEU  48  10.204   4.157   1.476
  388    H    GLU  49           H        GLU  49   6.205  -0.583   0.573
  389    HA   GLU  49           HA       GLU  49   4.755  -0.978   3.047
  390   1HB   GLU  49          2HB       GLU  49   4.647  -2.489   0.417
  391   2HB   GLU  49          1HB       GLU  49   3.495  -2.686   1.738
  392   1HG   GLU  49          2HG       GLU  49   2.903  -0.291   1.572
  393   2HG   GLU  49          1HG       GLU  49   4.045  -0.104   0.241
  394    H    LYS  50           H        LYS  50   7.286  -2.730   1.339
  395    HA   LYS  50           HA       LYS  50   7.105  -5.209   2.729
  396   1HB   LYS  50          2HB       LYS  50   8.537  -4.813   0.723
  397   2HB   LYS  50          1HB       LYS  50   9.613  -3.832   1.718
  398   1HG   LYS  50          2HG       LYS  50   9.965  -5.801   3.211
  399   2HG   LYS  50          1HG       LYS  50   8.970  -6.769   2.124
  400   1HD   LYS  50          2HD       LYS  50  10.559  -6.155   0.260
  401   2HD   LYS  50          1HD       LYS  50  11.600  -5.411   1.473
  402   1HE   LYS  50          2HE       LYS  50  12.523  -7.448   1.780
  403   2HE   LYS  50          1HE       LYS  50  10.998  -7.937   2.520
  404   1HZ   LYS  50          2HZ       LYS  50  10.302  -8.244   0.039
  405   2HZ   LYS  50          1HZ       LYS  50  11.976  -8.396  -0.206
  406   3HZ   LYS  50          3HZ       LYS  50  11.175  -9.458   0.846
  407    H    GLU  51           H        GLU  51   8.634  -2.138   3.589
  408    HA   GLU  51           HA       GLU  51  10.157  -2.994   5.814
  409   1HB   GLU  51          2HB       GLU  51  10.187  -0.683   4.846
  410   2HB   GLU  51          1HB       GLU  51   8.610  -0.395   5.581
  411   1HG   GLU  51          2HG       GLU  51   9.595  -0.904   7.813
  412   2HG   GLU  51          1HG       GLU  51  11.174  -1.089   7.049
  413    H    ALA  52           H        ALA  52   6.702  -2.260   5.542
  414    HA   ALA  52           HA       ALA  52   6.092  -2.364   8.333
  415   1HB   ALA  52          2HB       ALA  52   4.636  -1.740   6.172
  416   2HB   ALA  52          1HB       ALA  52   4.110  -3.413   6.363
  417   3HB   ALA  52          3HB       ALA  52   3.883  -2.261   7.679
  418    H    LYS  53           H        LYS  53   6.661  -4.860   5.945
  419    HA   LYS  53           HA       LYS  53   5.453  -7.059   7.297
  420   1HB   LYS  53          2HB       LYS  53   6.310  -7.152   4.961
  421   2HB   LYS  53          1HB       LYS  53   7.958  -7.074   5.585
  422   1HG   LYS  53          2HG       LYS  53   7.600  -9.161   6.834
  423   2HG   LYS  53          1HG       LYS  53   5.934  -9.232   6.260
  424   1HD   LYS  53          2HD       LYS  53   7.287 -10.686   4.862
  425   2HD   LYS  53          1HD       LYS  53   6.814  -9.281   3.908
  426   1HE   LYS  53          2HE       LYS  53   9.006  -8.964   3.475
  427   2HE   LYS  53          1HE       LYS  53   9.195  -8.512   5.169
  428   1HZ   LYS  53          1HZ       LYS  53   9.119 -11.248   5.174
  429   2HZ   LYS  53          3HZ       LYS  53  10.067 -10.866   3.821
  430   3HZ   LYS  53          2HZ       LYS  53  10.501 -10.277   5.354
  431    H    SER  54           H        SER  54   8.570  -5.458   7.722
  432    HA   SER  54           HA       SER  54   9.796  -7.415   9.398
  433   1HB   SER  54          2HB       SER  54  10.127  -4.403   9.549
  434   2HB   SER  54          1HB       SER  54  11.269  -5.618  10.125
  435    HG   SER  54           HG       SER  54  11.472  -4.587   7.886
  436    H    GLN  55           H        GLN  55   7.353  -4.984  10.030
  437    HA   GLN  55           HA       GLN  55   7.540  -5.454  12.951
  438   1HB   GLN  55          2HB       GLN  55   5.803  -3.591  11.305
  439   2HB   GLN  55          1HB       GLN  55   5.756  -3.699  13.064
  440   1HG   GLN  55          2HG       GLN  55   8.137  -3.077  13.175
  441   2HG   GLN  55          1HG       GLN  55   8.202  -2.990  11.415
  442   1HE2  GLN  55          1HE2      GLN  55   8.793  -0.685  12.977
  443   2HE2  GLN  55          2HE2      GLN  55   7.557   0.457  12.760

  No H/Q in entry =         443
  Start of MODEL   13
    1    H1   LYS   1          2H        LYS   1   9.160  17.133  -5.466
    2    H2   LYS   1          1H        LYS   1  10.801  16.973  -5.878
    3    H3   LYS   1          3H        LYS   1   9.778  17.931  -6.833
    4    HA   LYS   1           HA       LYS   1   9.484  16.174  -8.134
    5   1HB   LYS   1          2HB       LYS   1  10.664  14.580  -5.838
    6   2HB   LYS   1          1HB       LYS   1  10.289  13.911  -7.426
    7   1HG   LYS   1          2HG       LYS   1  11.806  15.618  -8.450
    8   2HG   LYS   1          1HG       LYS   1  12.248  16.148  -6.827
    9   1HD   LYS   1          2HD       LYS   1  13.001  13.815  -6.324
   10   2HD   LYS   1          1HD       LYS   1  12.670  13.383  -8.001
   11   1HE   LYS   1          2HE       LYS   1  14.290  15.055  -8.775
   12   2HE   LYS   1          1HE       LYS   1  14.590  15.557  -7.111
   13   1HZ   LYS   1          3HZ       LYS   1  14.899  12.796  -7.212
   14   2HZ   LYS   1          2HZ       LYS   1  15.749  13.429  -8.540
   15   3HZ   LYS   1          1HZ       LYS   1  16.102  13.967  -6.967
   16    H    ASN   2           H        ASN   2   7.206  16.438  -8.044
   17    HA   ASN   2           HA       ASN   2   5.006  15.739  -7.624
   18   1HB   ASN   2          2HB       ASN   2   6.445  13.301  -6.529
   19   2HB   ASN   2          1HB       ASN   2   4.716  13.394  -6.865
   20   1HD2  ASN   2          1HD2      ASN   2   6.442  11.522  -8.225
   21   2HD2  ASN   2          2HD2      ASN   2   6.505  11.962  -9.863
   22    H    GLU   3           H        GLU   3   6.156  17.469  -5.738
   23    HA   GLU   3           HA       GLU   3   5.928  16.543  -3.034
   24   1HB   GLU   3          2HB       GLU   3   5.615  19.334  -4.181
   25   2HB   GLU   3          1HB       GLU   3   5.786  18.964  -2.465
   26   1HG   GLU   3          2HG       GLU   3   7.975  17.893  -2.932
   27   2HG   GLU   3          1HG       GLU   3   7.806  18.317  -4.635
   28    H    ASP   4           H        ASP   4   3.579  17.716  -5.368
   29    HA   ASP   4           HA       ASP   4   1.448  18.291  -3.558
   30   1HB   ASP   4          2HB       ASP   4   1.530  18.831  -6.042
   31   2HB   ASP   4          1HB       ASP   4   1.131  17.137  -6.340
   32    H    GLN   5           H        GLN   5   2.732  15.276  -4.785
   33    HA   GLN   5           HA       GLN   5   0.458  13.630  -4.131
   34   1HB   GLN   5          2HB       GLN   5   3.406  12.969  -4.402
   35   2HB   GLN   5          1HB       GLN   5   2.139  11.759  -4.198
   36   1HG   GLN   5          2HG       GLN   5   1.043  12.536  -6.256
   37   2HG   GLN   5          1HG       GLN   5   2.270  13.788  -6.451
   38   1HE2  GLN   5          1HE2      GLN   5   1.913  11.819  -8.475
   39   2HE2  GLN   5          2HE2      GLN   5   3.273  10.804  -8.499
   40    H    GLU   6           H        GLU   6   3.135  14.927  -2.282
   41    HA   GLU   6           HA       GLU   6   2.985  13.177  -0.028
   42   1HB   GLU   6          2HB       GLU   6   4.800  14.890  -0.515
   43   2HB   GLU   6          1HB       GLU   6   3.679  16.125   0.058
   44   1HG   GLU   6          2HG       GLU   6   3.509  14.969   2.230
   45   2HG   GLU   6          1HG       GLU   6   4.618  13.724   1.658
   46    H    MET   7           H        MET   7   1.260  16.190  -0.806
   47    HA   MET   7           HA       MET   7  -0.141  16.389   1.692
   48   1HB   MET   7          2HB       MET   7  -0.649  17.463  -1.079
   49   2HB   MET   7          1HB       MET   7  -1.796  17.742   0.231
   50   1HG   MET   7          2HG       MET   7  -0.059  18.805   1.577
   51   2HG   MET   7          1HG       MET   7   1.153  18.444   0.349
   52   1HE   MET   7          2HE       MET   7   0.375  18.733  -2.095
   53   2HE   MET   7          1HE       MET   7  -1.314  19.202  -2.263
   54   3HE   MET   7          3HE       MET   7  -0.029  20.329  -2.722
   55    H    CYS   8           H        CYS   8  -0.649  14.463  -1.176
   56    HA   CYS   8           HA       CYS   8  -3.425  13.856  -0.725
   57   1HB   CYS   8          2HB       CYS   8  -1.404  12.053  -2.073
   58   2HB   CYS   8          1HB       CYS   8  -3.142  12.131  -2.362
   59    H    HIS   9           H        HIS   9  -0.466  12.715   0.694
   60    HA   HIS   9           HA       HIS   9  -1.581  10.250   1.766
   61   1HB   HIS   9          2HB       HIS   9   0.784  10.267   1.575
   62   2HB   HIS   9          1HB       HIS   9   0.916  11.861   2.316
   63    HD1  HIS   9           HD1      HIS   9   0.010  11.901   4.937
   64    HD2  HIS   9           HD2      HIS   9   1.202   8.220   3.387
   65    HE1  HIS   9           HE1      HIS   9   0.424  10.390   6.923
   66    H    GLU  10           H        GLU  10  -0.827  13.461   3.147
   67    HA   GLU  10           HA       GLU  10  -1.959  12.896   5.725
   68   1HB   GLU  10          2HB       GLU  10  -1.457  15.507   4.270
   69   2HB   GLU  10          1HB       GLU  10  -1.994  15.411   5.948
   70   1HG   GLU  10          2HG       GLU  10   0.015  13.994   6.449
   71   2HG   GLU  10          1HG       GLU  10   0.571  14.269   4.798
   72    H    PHE  11           H        PHE  11  -3.339  14.039   2.685
   73    HA   PHE  11           HA       PHE  11  -5.914  14.664   3.968
   74   1HB   PHE  11          2HB       PHE  11  -4.670  15.136   1.359
   75   2HB   PHE  11          1HB       PHE  11  -6.347  14.607   1.219
   76    HD1  PHE  11           HD1      PHE  11  -5.093  16.361   4.201
   77    HD2  PHE  11           HD2      PHE  11  -7.180  16.807   0.463
   78    HE1  PHE  11           HE1      PHE  11  -5.858  18.615   4.893
   79    HE2  PHE  11           HE2      PHE  11  -7.937  19.055   1.163
   80    HZ   PHE  11           HZ       PHE  11  -7.281  19.962   3.375
   81    H    GLN  12           H        GLN  12  -4.327  11.911   2.784
   82    HA   GLN  12           HA       GLN  12  -6.673  10.482   1.818
   83   1HB   GLN  12          2HB       GLN  12  -4.461   9.797   1.052
   84   2HB   GLN  12          1HB       GLN  12  -3.942   9.504   2.712
   85   1HG   GLN  12          2HG       GLN  12  -5.684   7.756   2.935
   86   2HG   GLN  12          1HG       GLN  12  -6.167   8.034   1.262
   87   1HE2  GLN  12          1HE2      GLN  12  -5.371   5.484   1.688
   88   2HE2  GLN  12          2HE2      GLN  12  -3.795   5.205   1.124
   89    H    ALA  13           H        ALA  13  -4.975  10.822   4.894
   90    HA   ALA  13           HA       ALA  13  -6.535   8.758   6.234
   91   1HB   ALA  13          1HB       ALA  13  -4.190   9.961   6.838
   92   2HB   ALA  13          3HB       ALA  13  -5.279  10.937   7.824
   93   3HB   ALA  13          2HB       ALA  13  -5.206   9.190   8.056
   94    H    PHE  14           H        PHE  14  -6.951  12.109   5.462
   95    HA   PHE  14           HA       PHE  14  -9.059  12.524   7.477
   96   1HB   PHE  14          2HB       PHE  14  -8.285  14.289   5.134
   97   2HB   PHE  14          1HB       PHE  14  -9.245  14.756   6.536
   98    HD1  PHE  14           HD1      PHE  14  -7.482  13.034   8.497
   99    HD2  PHE  14           HD2      PHE  14  -6.592  16.018   5.537
  100    HE1  PHE  14           HE1      PHE  14  -5.408  13.630   9.720
  101    HE2  PHE  14           HE2      PHE  14  -4.518  16.612   6.760
  102    HZ   PHE  14           HZ       PHE  14  -3.926  15.419   8.851
  103    H    MET  15           H        MET  15  -9.040  10.617   4.937
  104    HA   MET  15           HA       MET  15 -11.372  11.570   3.452
  105   1HB   MET  15          2HB       MET  15  -9.430   9.393   3.251
  106   2HB   MET  15          1HB       MET  15 -11.073   8.857   2.902
  107   1HG   MET  15          2HG       MET  15 -11.286  10.834   1.337
  108   2HG   MET  15          1HG       MET  15  -9.562  11.120   1.573
  109   1HE   MET  15          2HE       MET  15  -8.077   8.935   1.797
  110   2HE   MET  15          1HE       MET  15  -9.182   7.576   1.990
  111   3HE   MET  15          3HE       MET  15  -8.088   7.642   0.601
  112    H    LYS  16           H        LYS  16 -13.468  11.207   4.031
  113    HA   LYS  16           HA       LYS  16 -13.965   9.130   6.132
  114   1HB   LYS  16          2HB       LYS  16 -14.391  11.664   6.619
  115   2HB   LYS  16          1HB       LYS  16 -15.827  11.434   5.621
  116   1HG   LYS  16          2HG       LYS  16 -16.564   9.593   7.068
  117   2HG   LYS  16          1HG       LYS  16 -15.108   9.765   8.048
  118   1HD   LYS  16          2HD       LYS  16 -15.772  11.945   8.802
  119   2HD   LYS  16          1HD       LYS  16 -17.081  12.021   7.623
  120   1HE   LYS  16          2HE       LYS  16 -18.201  11.419   9.601
  121   2HE   LYS  16          1HE       LYS  16 -17.950   9.865   8.807
  122   1HZ   LYS  16          1HZ       LYS  16 -15.764   9.850  10.132
  123   2HZ   LYS  16          3HZ       LYS  16 -16.512  11.023  11.103
  124   3HZ   LYS  16          2HZ       LYS  16 -17.211   9.483  10.944
  125    H    ASN  17           H        ASN  17 -15.753   7.746   5.836
  126    HA   ASN  17           HA       ASN  17 -17.089   6.377   4.451
  127   1HB   ASN  17          2HB       ASN  17 -18.441   8.560   5.047
  128   2HB   ASN  17          1HB       ASN  17 -18.236   8.918   3.332
  129   1HD2  ASN  17          1HD2      ASN  17 -20.839   8.470   4.117
  130   2HD2  ASN  17          2HD2      ASN  17 -21.370   6.938   3.615
  131    H    GLY  18           H        GLY  18 -14.524   7.080   3.293
  132   1HA   GLY  18          1HA       GLY  18 -15.023   6.314   0.562
  133   2HA   GLY  18          2HA       GLY  18 -13.460   6.806   1.215
  134    H    LYS  19           H        LYS  19 -14.511   9.381   2.184
  135    HA   LYS  19           HA       LYS  19 -14.629  10.779  -0.451
  136   1HB   LYS  19          2HB       LYS  19 -16.892  10.645   0.703
  137   2HB   LYS  19          1HB       LYS  19 -16.200  11.631   1.992
  138   1HG   LYS  19          2HG       LYS  19 -15.529  12.872  -0.485
  139   2HG   LYS  19          1HG       LYS  19 -17.249  12.488  -0.538
  140   1HD   LYS  19          2HD       LYS  19 -17.149  13.463   1.954
  141   2HD   LYS  19          1HD       LYS  19 -15.770  14.334   1.285
  142   1HE   LYS  19          2HE       LYS  19 -17.276  15.813   0.469
  143   2HE   LYS  19          1HE       LYS  19 -17.708  14.564  -0.698
  144   1HZ   LYS  19          2HZ       LYS  19 -18.910  14.377   1.951
  145   2HZ   LYS  19          1HZ       LYS  19 -19.463  15.631   0.947
  146   3HZ   LYS  19          3HZ       LYS  19 -19.573  14.020   0.428
  147    H    LEU  20           H        LEU  20 -13.275  12.536  -0.566
  148    HA   LEU  20           HA       LEU  20 -11.485  13.015   1.717
  149   1HB   LEU  20          2HB       LEU  20 -10.338  12.989  -0.345
  150   2HB   LEU  20          1HB       LEU  20 -11.591  13.918  -1.160
  151    HG   LEU  20           HG       LEU  20 -10.890  15.806   0.558
  152   1HD1  LEU  20          1HD1      LEU  20  -9.089  13.777   1.259
  153   2HD1  LEU  20          3HD1      LEU  20  -8.137  14.915   0.302
  154   3HD1  LEU  20          2HD1      LEU  20  -9.002  15.473   1.738
  155   1HD2  LEU  20          2HD2      LEU  20  -9.514  14.919  -1.960
  156   2HD2  LEU  20          1HD2      LEU  20 -10.622  16.270  -1.718
  157   3HD2  LEU  20          3HD2      LEU  20  -8.970  16.366  -1.111
  158    H    PHE  21           H        PHE  21 -11.895  14.567   3.211
  159    HA   PHE  21           HA       PHE  21 -13.924  16.644   2.556
  160   1HB   PHE  21          2HB       PHE  21 -12.853  15.528   5.149
  161   2HB   PHE  21          1HB       PHE  21 -13.753  17.044   5.104
  162    HD1  PHE  21           HD1      PHE  21 -13.946  13.470   4.010
  163    HD2  PHE  21           HD2      PHE  21 -16.104  17.026   5.082
  164    HE1  PHE  21           HE1      PHE  21 -16.078  12.204   3.921
  165    HE2  PHE  21           HE2      PHE  21 -18.234  15.761   4.992
  166    HZ   PHE  21           HZ       PHE  21 -18.222  13.350   4.411
  167    H    CYS  22           H        CYS  22 -13.316  18.754   2.352
  168    HA   CYS  22           HA       CYS  22 -10.446  19.396   2.824
  169   1HB   CYS  22          2HB       CYS  22 -12.287  20.007   0.724
  170   2HB   CYS  22          1HB       CYS  22 -11.820  21.521   1.498
  171    HA   PRO  23           HA       PRO  23 -12.720  21.532   6.315
  172   1HB   PRO  23          2HB       PRO  23 -10.828  21.000   8.173
  173   2HB   PRO  23          1HB       PRO  23 -12.145  19.886   7.798
  174   1HG   PRO  23          2HG       PRO  23  -9.305  19.857   6.839
  175   2HG   PRO  23          1HG       PRO  23 -10.297  18.512   7.413
  176   1HD   PRO  23          2HD       PRO  23  -9.901  18.958   4.784
  177   2HD   PRO  23          1HD       PRO  23 -11.425  18.316   5.399
  178    H    GLN  24           H        GLN  24 -12.121  23.541   7.297
  179    HA   GLN  24           HA       GLN  24  -9.754  24.820   6.019
  180   1HB   GLN  24          2HB       GLN  24 -12.159  26.031   7.417
  181   2HB   GLN  24          1HB       GLN  24 -10.840  26.954   6.697
  182   1HG   GLN  24          2HG       GLN  24 -11.343  25.987   4.495
  183   2HG   GLN  24          1HG       GLN  24 -12.631  25.013   5.203
  184   1HE2  GLN  24          1HE2      GLN  24 -13.263  26.854   3.151
  185   2HE2  GLN  24          2HE2      GLN  24 -14.158  28.138   3.808
  186    H    ASP  25           H        ASP  25  -8.160  25.823   7.292
  187    HA   ASP  25           HA       ASP  25  -8.463  25.653  10.245
  188   1HB   ASP  25          2HB       ASP  25  -6.190  24.675  10.441
  189   2HB   ASP  25          1HB       ASP  25  -7.293  23.596   9.586
  190    H    LYS  26           H        LYS  26  -6.180  26.651  11.142
  191    HA   LYS  26           HA       LYS  26  -6.184  29.387  10.145
  192   1HB   LYS  26          2HB       LYS  26  -4.464  27.996  12.220
  193   2HB   LYS  26          1HB       LYS  26  -4.422  29.728  11.892
  194   1HG   LYS  26          2HG       LYS  26  -6.829  29.883  12.452
  195   2HG   LYS  26          1HG       LYS  26  -6.851  28.155  12.804
  196   1HD   LYS  26          2HD       LYS  26  -5.097  28.530  14.543
  197   2HD   LYS  26          1HD       LYS  26  -5.204  30.263  14.235
  198   1HE   LYS  26          2HE       LYS  26  -7.661  30.129  14.778
  199   2HE   LYS  26          1HE       LYS  26  -7.406  28.454  15.266
  200   1HZ   LYS  26          3HZ       LYS  26  -5.757  29.230  16.872
  201   2HZ   LYS  26          2HZ       LYS  26  -6.071  30.840  16.427
  202   3HZ   LYS  26          1HZ       LYS  26  -7.283  29.909  17.169
  203    H    LYS  27           H        LYS  27  -4.339  26.534   9.500
  204    HA   LYS  27           HA       LYS  27  -2.318  28.196   8.049
  205   1HB   LYS  27          2HB       LYS  27  -1.854  25.303   8.693
  206   2HB   LYS  27          1HB       LYS  27  -0.682  26.608   8.511
  207   1HG   LYS  27          2HG       LYS  27  -2.223  27.467  10.642
  208   2HG   LYS  27          1HG       LYS  27  -2.137  25.725  10.902
  209   1HD   LYS  27          2HD       LYS  27   0.456  26.398  10.156
  210   2HD   LYS  27          1HD       LYS  27  -0.042  27.750  11.173
  211   1HE   LYS  27          2HE       LYS  27  -0.128  26.465  13.055
  212   2HE   LYS  27          1HE       LYS  27  -0.796  25.079  12.194
  213   1HZ   LYS  27          3HZ       LYS  27   1.744  25.379  11.206
  214   2HZ   LYS  27          2HZ       LYS  27   1.909  25.644  12.876
  215   3HZ   LYS  27          1HZ       LYS  27   1.222  24.199  12.307
  216    HA   PRO  28           HA       PRO  28  -4.879  26.048   4.810
  217   1HB   PRO  28          2HB       PRO  28  -4.859  28.132   3.090
  218   2HB   PRO  28          1HB       PRO  28  -6.043  27.973   4.390
  219   1HG   PRO  28          2HG       PRO  28  -3.548  29.624   4.286
  220   2HG   PRO  28          1HG       PRO  28  -5.144  30.060   4.904
  221   1HD   PRO  28          1HD       PRO  28  -3.109  29.334   6.537
  222   2HD   PRO  28          2HD       PRO  28  -4.796  28.991   6.921
  223    H    ILE  29           H        ILE  29  -4.254  25.695   2.472
  224    HA   ILE  29           HA       ILE  29  -1.284  25.869   2.158
  225    HB   ILE  29           HB       ILE  29  -1.686  23.570   2.338
  226   1HG1  ILE  29          2HG1      ILE  29  -0.689  24.376   0.051
  227   2HG1  ILE  29          1HG1      ILE  29  -1.145  22.684   0.242
  228   1HG2  ILE  29          1HG2      ILE  29  -4.336  24.307   1.256
  229   2HG2  ILE  29          3HG2      ILE  29  -3.744  22.719   0.765
  230   3HG2  ILE  29          2HG2      ILE  29  -3.911  23.110   2.478
  231   1HD1  ILE  29          1HD1      ILE  29  -3.381  24.361  -0.646
  232   2HD1  ILE  29          3HD1      ILE  29  -2.028  24.376  -1.776
  233   3HD1  ILE  29          2HD1      ILE  29  -2.777  22.848  -1.321
  234    H    GLN  30           H        GLN  30  -0.528  26.744   0.248
  235    HA   GLN  30           HA       GLN  30  -2.514  28.052  -1.484
  236   1HB   GLN  30          2HB       GLN  30   0.516  28.084  -1.429
  237   2HB   GLN  30          1HB       GLN  30  -0.442  28.965  -2.620
  238   1HG   GLN  30          2HG       GLN  30  -1.612  30.142  -0.763
  239   2HG   GLN  30          1HG       GLN  30  -0.573  29.308   0.392
  240   1HE2  GLN  30          1HE2      GLN  30  -0.456  32.101   0.346
  241   2HE2  GLN  30          2HE2      GLN  30   1.008  32.609  -0.346
  242    H    SER  31           H        SER  31  -3.091  27.333  -3.501
  243    HA   SER  31           HA       SER  31  -2.182  24.681  -4.314
  244   1HB   SER  31          2HB       SER  31  -4.074  24.644  -5.592
  245   2HB   SER  31          1HB       SER  31  -4.524  26.069  -4.653
  246    HG   SER  31           HG       SER  31  -4.113  25.900  -7.243
  247    H    LEU  32           H        LEU  32  -0.739  24.187  -5.880
  248    HA   LEU  32           HA       LEU  32   0.966  26.293  -6.949
  249   1HB   LEU  32          2HB       LEU  32   0.877  23.314  -7.539
  250   2HB   LEU  32          1HB       LEU  32   2.158  24.415  -8.045
  251    HG   LEU  32           HG       LEU  32   2.345  24.999  -5.513
  252   1HD1  LEU  32          1HD1      LEU  32   0.422  22.762  -5.547
  253   2HD1  LEU  32          3HD1      LEU  32   1.764  22.544  -4.425
  254   3HD1  LEU  32          2HD1      LEU  32   0.726  23.964  -4.292
  255   1HD2  LEU  32          2HD2      LEU  32   3.861  23.524  -7.062
  256   2HD2  LEU  32          1HD2      LEU  32   4.073  23.431  -5.314
  257   3HD2  LEU  32          3HD2      LEU  32   3.163  22.179  -6.159
  258    H    ASP  33           H        ASP  33  -1.880  24.643  -7.969
  259    HA   ASP  33           HA       ASP  33  -1.521  24.841 -10.816
  260   1HB   ASP  33          2HB       ASP  33  -4.047  24.742  -9.143
  261   2HB   ASP  33          1HB       ASP  33  -3.998  24.566 -10.898
  262    H    GLY  34           H        GLY  34  -1.859  27.239  -8.485
  263   1HA   GLY  34          1HA       GLY  34  -2.794  29.171 -10.567
  264   2HA   GLY  34          2HA       GLY  34  -1.672  29.583  -9.269
  265    H    ILE  35           H        ILE  35  -3.669  27.644  -7.691
  266    HA   ILE  35           HA       ILE  35  -5.709  29.762  -7.154
  267    HB   ILE  35           HB       ILE  35  -5.976  26.869  -6.335
  268   1HG1  ILE  35          2HG1      ILE  35  -7.098  27.959  -8.914
  269   2HG1  ILE  35          1HG1      ILE  35  -5.498  27.219  -8.866
  270   1HG2  ILE  35          2HG2      ILE  35  -7.492  28.701  -5.450
  271   2HG2  ILE  35          1HG2      ILE  35  -8.057  28.931  -7.105
  272   3HG2  ILE  35          3HG2      ILE  35  -8.324  27.391  -6.288
  273   1HD1  ILE  35          3HD1      ILE  35  -6.963  25.379  -7.474
  274   2HD1  ILE  35          2HD1      ILE  35  -8.163  25.962  -8.626
  275   3HD1  ILE  35          1HD1      ILE  35  -6.644  25.278  -9.205
  276    H    MET  36           H        MET  36  -5.944  30.473  -5.024
  277    HA   MET  36           HA       MET  36  -3.802  29.601  -3.159
  278   1HB   MET  36          2HB       MET  36  -5.694  31.970  -3.128
  279   2HB   MET  36          1HB       MET  36  -4.544  31.617  -1.839
  280   1HG   MET  36          2HG       MET  36  -2.714  31.653  -3.579
  281   2HG   MET  36          1HG       MET  36  -3.911  32.228  -4.740
  282   1HE   MET  36          1HE       MET  36  -2.119  32.501  -1.625
  283   2HE   MET  36          3HE       MET  36  -1.855  34.219  -1.296
  284   3HE   MET  36          2HE       MET  36  -3.326  33.426  -0.736
  285    H    PHE  37           H        PHE  37  -4.970  27.523  -2.741
  286    HA   PHE  37           HA       PHE  37  -6.592  27.732  -0.365
  287   1HB   PHE  37          2HB       PHE  37  -8.710  27.056  -1.146
  288   2HB   PHE  37          1HB       PHE  37  -8.199  28.277  -2.309
  289    HD1  PHE  37           HD1      PHE  37  -6.197  26.715  -3.895
  290    HD2  PHE  37           HD2      PHE  37 -10.082  25.626  -2.423
  291    HE1  PHE  37           HE1      PHE  37  -6.422  25.056  -5.719
  292    HE2  PHE  37           HE2      PHE  37 -10.308  23.967  -4.251
  293    HZ   PHE  37           HZ       PHE  37  -8.478  23.684  -5.900
  294    H    ILE  38           H        ILE  38  -7.777  25.329  -0.189
  295    HA   ILE  38           HA       ILE  38  -5.592  23.520   0.170
  296    HB   ILE  38           HB       ILE  38  -8.537  22.837  -0.012
  297   1HG1  ILE  38          2HG1      ILE  38  -6.881  23.698   2.380
  298   2HG1  ILE  38          1HG1      ILE  38  -8.110  24.682   1.586
  299   1HG2  ILE  38          3HG2      ILE  38  -6.078  21.467   1.054
  300   2HG2  ILE  38          2HG2      ILE  38  -7.660  21.114   1.748
  301   3HG2  ILE  38          1HG2      ILE  38  -7.359  20.808   0.037
  302   1HD1  ILE  38          3HD1      ILE  38  -9.084  22.010   2.287
  303   2HD1  ILE  38          2HD1      ILE  38  -8.558  22.933   3.695
  304   3HD1  ILE  38          1HD1      ILE  38  -9.797  23.587   2.625
  305    H    ASN  39           H        ASN  39  -4.585  23.472  -1.957
  306    HA   ASN  39           HA       ASN  39  -5.936  22.618  -4.326
  307   1HB   ASN  39          2HB       ASN  39  -3.612  23.625  -4.174
  308   2HB   ASN  39          1HB       ASN  39  -3.044  22.047  -3.641
  309   1HD2  ASN  39          1HD2      ASN  39  -2.352  23.407  -6.205
  310   2HD2  ASN  39          2HD2      ASN  39  -2.883  22.373  -7.441
  311    H    LYS  40           H        LYS  40  -4.828  20.916  -1.519
  312    HA   LYS  40           HA       LYS  40  -4.335  18.344  -2.373
  313   1HB   LYS  40          2HB       LYS  40  -6.155  19.105  -0.076
  314   2HB   LYS  40          1HB       LYS  40  -5.337  17.555  -0.273
  315   1HG   LYS  40          2HG       LYS  40  -3.160  18.965  -0.399
  316   2HG   LYS  40          1HG       LYS  40  -4.132  20.258   0.304
  317   1HD   LYS  40          2HD       LYS  40  -4.690  18.852   2.217
  318   2HD   LYS  40          1HD       LYS  40  -3.839  17.485   1.498
  319   1HE   LYS  40          2HE       LYS  40  -1.815  18.261   2.164
  320   2HE   LYS  40          1HE       LYS  40  -2.196  19.913   1.679
  321   1HZ   LYS  40          3HZ       LYS  40  -3.808  19.354   3.849
  322   2HZ   LYS  40          2HZ       LYS  40  -2.273  18.751   4.258
  323   3HZ   LYS  40          1HZ       LYS  40  -2.457  20.380   3.813
  324    H    CYS  41           H        CYS  41  -7.624  19.402  -1.473
  325    HA   CYS  41           HA       CYS  41  -8.914  17.217  -2.784
  326   1HB   CYS  41          2HB       CYS  41 -10.075  19.964  -2.272
  327   2HB   CYS  41          1HB       CYS  41 -10.967  18.457  -2.465
  328    H    ALA  42           H        ALA  42  -7.527  20.135  -4.004
  329    HA   ALA  42           HA       ALA  42  -9.087  20.162  -6.483
  330   1HB   ALA  42          1HB       ALA  42  -7.563  22.039  -5.190
  331   2HB   ALA  42          3HB       ALA  42  -6.471  21.521  -6.475
  332   3HB   ALA  42          2HB       ALA  42  -8.066  22.154  -6.877
  333    H    THR  43           H        THR  43  -5.963  18.915  -5.397
  334    HA   THR  43           HA       THR  43  -5.656  17.631  -8.083
  335    HB   THR  43           HB       THR  43  -3.185  17.617  -7.559
  336    HG1  THR  43           HG1      THR  43  -4.091  19.298  -5.464
  337   1HG2  THR  43          3HG2      THR  43  -4.861  19.996  -8.100
  338   2HG2  THR  43          2HG2      THR  43  -3.199  20.341  -7.620
  339   3HG2  THR  43          1HG2      THR  43  -3.520  19.330  -9.029
  340    H    CYS  44           H        CYS  44  -4.754  17.241  -4.629
  341    HA   CYS  44           HA       CYS  44  -4.104  14.494  -4.748
  342   1HB   CYS  44          2HB       CYS  44  -5.179  16.246  -2.541
  343   2HB   CYS  44          1HB       CYS  44  -4.951  14.518  -2.282
  344    H    LYS  45           H        LYS  45  -7.219  16.074  -4.830
  345    HA   LYS  45           HA       LYS  45  -8.862  13.904  -4.011
  346   1HB   LYS  45          2HB       LYS  45  -9.727  16.192  -4.427
  347   2HB   LYS  45          1HB       LYS  45  -9.434  15.979  -6.153
  348   1HG   LYS  45          2HG       LYS  45 -11.022  14.128  -6.233
  349   2HG   LYS  45          1HG       LYS  45 -11.250  14.211  -4.486
  350   1HD   LYS  45          2HD       LYS  45 -12.074  16.563  -4.763
  351   2HD   LYS  45          1HD       LYS  45 -11.974  16.351  -6.510
  352   1HE   LYS  45          2HE       LYS  45 -13.832  15.028  -6.583
  353   2HE   LYS  45          1HE       LYS  45 -13.435  14.220  -5.066
  354   1HZ   LYS  45          2HZ       LYS  45 -14.013  16.938  -4.582
  355   2HZ   LYS  45          1HZ       LYS  45 -15.286  16.243  -5.468
  356   3HZ   LYS  45          3HZ       LYS  45 -14.809  15.558  -3.991
  357    H    MET  46           H        MET  46  -7.602  14.750  -7.241
  358    HA   MET  46           HA       MET  46  -8.714  12.336  -8.448
  359   1HB   MET  46          2HB       MET  46  -6.610  14.280  -9.456
  360   2HB   MET  46          1HB       MET  46  -7.365  13.012 -10.421
  361   1HG   MET  46          2HG       MET  46  -9.593  14.049  -9.953
  362   2HG   MET  46          1HG       MET  46  -8.767  15.365  -9.118
  363   1HE   MET  46          1HE       MET  46  -7.119  16.981 -10.154
  364   2HE   MET  46          3HE       MET  46  -6.125  15.646 -10.754
  365   3HE   MET  46          2HE       MET  46  -6.574  16.968 -11.829
  366    H    ILE  47           H        ILE  47  -5.634  13.357  -7.075
  367    HA   ILE  47           HA       ILE  47  -4.209  10.954  -7.907
  368    HB   ILE  47           HB       ILE  47  -3.542  13.034  -5.798
  369   1HG1  ILE  47          1HG1      ILE  47  -2.427  12.721  -8.595
  370   2HG1  ILE  47          2HG1      ILE  47  -3.764  13.805  -8.211
  371   1HG2  ILE  47          3HG2      ILE  47  -2.047  10.684  -6.944
  372   2HG2  ILE  47          2HG2      ILE  47  -1.171  12.097  -6.351
  373   3HG2  ILE  47          1HG2      ILE  47  -2.207  11.177  -5.258
  374   1HD1  ILE  47          1HD1      ILE  47  -1.487  14.091  -6.381
  375   2HD1  ILE  47          3HD1      ILE  47  -1.079  14.462  -8.057
  376   3HD1  ILE  47          2HD1      ILE  47  -2.387  15.331  -7.255
  377    H    LEU  48           H        LEU  48  -6.439  11.730  -5.435
  378    HA   LEU  48           HA       LEU  48  -5.475   9.645  -3.582
  379   1HB   LEU  48          2HB       LEU  48  -6.466  11.750  -2.706
  380   2HB   LEU  48          1HB       LEU  48  -7.988  11.347  -3.498
  381    HG   LEU  48           HG       LEU  48  -8.363   9.486  -2.079
  382   1HD1  LEU  48          3HD1      LEU  48  -5.416   9.725  -1.493
  383   2HD1  LEU  48          2HD1      LEU  48  -6.486   8.859  -0.391
  384   3HD1  LEU  48          1HD1      LEU  48  -6.315   8.319  -2.062
  385   1HD2  LEU  48          3HD2      LEU  48  -7.154  11.828  -0.611
  386   2HD2  LEU  48          2HD2      LEU  48  -8.857  11.406  -0.796
  387   3HD2  LEU  48          1HD2      LEU  48  -7.823  10.454   0.269
  388    H    GLU  49           H        GLU  49  -7.643   9.976  -6.242
  389    HA   GLU  49           HA       GLU  49  -9.286   7.652  -5.518
  390   1HB   GLU  49          2HB       GLU  49  -9.073   9.316  -8.045
  391   2HB   GLU  49          1HB       GLU  49 -10.188   7.961  -7.858
  392   1HG   GLU  49          2HG       GLU  49 -11.221   9.077  -5.914
  393   2HG   GLU  49          1HG       GLU  49 -10.105  10.430  -6.095
  394    H    LYS  50           H        LYS  50  -6.483   8.377  -7.521
  395    HA   LYS  50           HA       LYS  50  -6.371   6.008  -9.067
  396   1HB   LYS  50          2HB       LYS  50  -4.858   7.958  -9.379
  397   2HB   LYS  50          1HB       LYS  50  -4.043   7.544  -7.870
  398   1HG   LYS  50          2HG       LYS  50  -3.491   5.306  -8.831
  399   2HG   LYS  50          1HG       LYS  50  -4.213   5.816 -10.358
  400   1HD   LYS  50          2HD       LYS  50  -2.603   7.762 -10.370
  401   2HD   LYS  50          1HD       LYS  50  -1.808   7.036  -8.974
  402   1HE   LYS  50          2HE       LYS  50  -0.954   5.274 -10.204
  403   2HE   LYS  50          1HE       LYS  50  -2.278   5.309 -11.369
  404   1HZ   LYS  50          1HZ       LYS  50  -0.329   7.522 -11.181
  405   2HZ   LYS  50          3HZ       LYS  50  -0.014   6.149 -12.126
  406   3HZ   LYS  50          2HZ       LYS  50  -1.362   7.124 -12.470
  407    H    GLU  51           H        GLU  51  -5.345   6.642  -5.735
  408    HA   GLU  51           HA       GLU  51  -3.985   4.179  -5.276
  409   1HB   GLU  51          2HB       GLU  51  -3.950   6.147  -3.727
  410   2HB   GLU  51          1HB       GLU  51  -5.616   5.780  -3.280
  411   1HG   GLU  51          2HG       GLU  51  -4.877   3.507  -2.555
  412   2HG   GLU  51          1HG       GLU  51  -3.212   3.966  -2.909
  413    H    ALA  52           H        ALA  52  -7.403   5.021  -5.279
  414    HA   ALA  52           HA       ALA  52  -8.378   2.650  -4.001
  415   1HB   ALA  52          3HB       ALA  52  -9.700   4.394  -6.103
  416   2HB   ALA  52          2HB       ALA  52 -10.529   3.207  -5.097
  417   3HB   ALA  52          1HB       ALA  52  -9.797   4.631  -4.359
  418    H    LYS  53           H        LYS  53  -7.278   3.321  -7.256
  419    HA   LYS  53           HA       LYS  53  -8.457   1.109  -8.606
  420   1HB   LYS  53          2HB       LYS  53  -7.240   2.982  -9.731
  421   2HB   LYS  53          1HB       LYS  53  -5.725   2.327  -9.111
  422   1HG   LYS  53          2HG       LYS  53  -6.095   0.236 -10.324
  423   2HG   LYS  53          1HG       LYS  53  -7.667   0.810 -10.880
  424   1HD   LYS  53          2HD       LYS  53  -6.075   1.160 -12.670
  425   2HD   LYS  53          1HD       LYS  53  -6.481   2.737 -11.993
  426   1HE   LYS  53          2HE       LYS  53  -4.331   3.100 -11.431
  427   2HE   LYS  53          1HE       LYS  53  -4.274   1.584 -10.531
  428   1HZ   LYS  53          1HZ       LYS  53  -4.235   1.330 -13.419
  429   2HZ   LYS  53          3HZ       LYS  53  -2.858   2.051 -12.739
  430   3HZ   LYS  53          2HZ       LYS  53  -3.337   0.499 -12.240
  431    H    SER  54           H        SER  54  -5.523   1.365  -6.636
  432    HA   SER  54           HA       SER  54  -4.473  -1.229  -7.205
  433   1HB   SER  54          2HB       SER  54  -3.150  -0.950  -5.196
  434   2HB   SER  54          1HB       SER  54  -3.260   0.620  -5.993
  435    HG   SER  54           HG       SER  54  -5.209   0.857  -4.557
  436    H    GLN  55           H        GLN  55  -7.090  -0.153  -5.158
  437    HA   GLN  55           HA       GLN  55  -7.276  -2.445  -3.457
  438   1HB   GLN  55          2HB       GLN  55  -8.507  -0.292  -3.099
  439   2HB   GLN  55          1HB       GLN  55  -9.545  -0.702  -4.465
  440   1HG   GLN  55          2HG       GLN  55 -10.709  -1.414  -2.491
  441   2HG   GLN  55          1HG       GLN  55 -10.079  -2.875  -3.251
  442   1HE2  GLN  55          1HE2      GLN  55  -9.553  -4.206  -1.481
  443   2HE2  GLN  55          2HE2      GLN  55  -8.555  -3.732  -0.192

  No H/Q in entry =         443
  Start of MODEL   14
    1    H1   LYS   1          2H        LYS   1  -6.490   9.799 -20.407
    2    H2   LYS   1          1H        LYS   1  -8.094   9.949 -19.866
    3    H3   LYS   1          3H        LYS   1  -7.002   8.966 -19.017
    4    HA   LYS   1           HA       LYS   1  -7.407   7.220 -20.300
    5   1HB   LYS   1          2HB       LYS   1  -9.475   9.108 -21.467
    6   2HB   LYS   1          1HB       LYS   1  -9.467   7.360 -21.704
    7   1HG   LYS   1          2HG       LYS   1  -9.566   7.070 -19.221
    8   2HG   LYS   1          1HG       LYS   1  -9.706   8.820 -19.055
    9   1HD   LYS   1          2HD       LYS   1 -11.752   8.743 -20.494
   10   2HD   LYS   1          1HD       LYS   1 -11.638   6.983 -20.502
   11   1HE   LYS   1          2HE       LYS   1 -11.669   8.494 -17.897
   12   2HE   LYS   1          1HE       LYS   1 -13.179   8.127 -18.732
   13   1HZ   LYS   1          1HZ       LYS   1 -11.282   5.939 -18.451
   14   2HZ   LYS   1          3HZ       LYS   1 -12.035   6.463 -17.025
   15   3HZ   LYS   1          2HZ       LYS   1 -12.977   5.932 -18.335
   16    H    ASN   2           H        ASN   2  -5.442   7.116 -21.484
   17    HA   ASN   2           HA       ASN   2  -5.422   8.456 -24.144
   18   1HB   ASN   2          2HB       ASN   2  -3.447   8.642 -22.527
   19   2HB   ASN   2          1HB       ASN   2  -3.147   6.935 -22.852
   20   1HD2  ASN   2          1HD2      ASN   2  -1.034   7.908 -23.790
   21   2HD2  ASN   2          2HD2      ASN   2  -1.067   8.415 -25.409
   22    H    GLU   3           H        GLU   3  -5.800   7.255 -25.948
   23    HA   GLU   3           HA       GLU   3  -6.554   4.497 -25.788
   24   1HB   GLU   3          2HB       GLU   3  -7.281   6.101 -27.583
   25   2HB   GLU   3          1HB       GLU   3  -5.655   6.008 -28.258
   26   1HG   GLU   3          2HG       GLU   3  -5.926   3.535 -28.468
   27   2HG   GLU   3          1HG       GLU   3  -7.587   3.697 -27.897
   28    H    ASP   4           H        ASP   4  -3.485   6.091 -26.361
   29    HA   ASP   4           HA       ASP   4  -2.064   3.926 -27.543
   30   1HB   ASP   4          2HB       ASP   4  -1.298   6.368 -27.172
   31   2HB   ASP   4          1HB       ASP   4  -0.828   5.834 -25.555
   32    H    GLN   5           H        GLN   5  -3.122   4.487 -24.264
   33    HA   GLN   5           HA       GLN   5  -1.328   2.675 -22.943
   34   1HB   GLN   5          2HB       GLN   5  -4.128   3.607 -22.251
   35   2HB   GLN   5          1HB       GLN   5  -3.142   2.611 -21.180
   36   1HG   GLN   5          2HG       GLN   5  -1.405   4.338 -21.131
   37   2HG   GLN   5          1HG       GLN   5  -2.326   5.323 -22.268
   38   1HE2  GLN   5          1HE2      GLN   5  -1.712   6.429 -19.758
   39   2HE2  GLN   5          2HE2      GLN   5  -3.121   6.528 -18.817
   40    H    GLU   6           H        GLU   6  -4.413   2.238 -24.611
   41    HA   GLU   6           HA       GLU   6  -5.004  -0.406 -23.790
   42   1HB   GLU   6          2HB       GLU   6  -6.458   1.126 -25.203
   43   2HB   GLU   6          1HB       GLU   6  -5.450   0.684 -26.581
   44   1HG   GLU   6          2HG       GLU   6  -5.998  -1.695 -26.222
   45   2HG   GLU   6          1HG       GLU   6  -7.001  -1.258 -24.839
   46    H    MET   7           H        MET   7  -2.936   0.746 -26.454
   47    HA   MET   7           HA       MET   7  -2.288  -1.867 -27.452
   48   1HB   MET   7          2HB       MET   7  -0.742   0.738 -27.610
   49   2HB   MET   7          1HB       MET   7  -0.378  -0.707 -28.551
   50   1HG   MET   7          2HG       MET   7  -2.477  -0.595 -29.700
   51   2HG   MET   7          1HG       MET   7  -3.091   0.631 -28.591
   52   1HE   MET   7          1HE       MET   7  -3.429   0.759 -31.397
   53   2HE   MET   7          3HE       MET   7  -3.691   2.402 -30.798
   54   3HE   MET   7          2HE       MET   7  -2.663   2.126 -32.202
   55    H    CYS   8           H        CYS   8  -1.203  -0.074 -24.692
   56    HA   CYS   8           HA       CYS   8   1.335  -1.453 -24.390
   57   1HB   CYS   8          2HB       CYS   8  -0.350   0.055 -22.370
   58   2HB   CYS   8          1HB       CYS   8   1.309  -0.481 -22.106
   59    H    HIS   9           H        HIS   9  -1.958  -1.953 -23.178
   60    HA   HIS   9           HA       HIS   9  -1.575  -3.883 -21.221
   61   1HB   HIS   9          2HB       HIS   9  -3.823  -3.330 -21.667
   62   2HB   HIS   9          1HB       HIS   9  -3.649  -3.620 -23.396
   63    HD1  HIS   9           HD1      HIS   9  -2.998  -6.292 -23.935
   64    HD2  HIS   9           HD2      HIS   9  -5.026  -5.460 -20.390
   65    HE1  HIS   9           HE1      HIS   9  -4.025  -8.473 -23.173
   66    H    GLU  10           H        GLU  10  -1.530  -4.392 -24.753
   67    HA   GLU  10           HA       GLU  10  -0.926  -7.212 -24.562
   68   1HB   GLU  10          2HB       GLU  10  -1.916  -6.123 -26.588
   69   2HB   GLU  10          1HB       GLU  10  -0.370  -5.320 -26.866
   70   1HG   GLU  10          2HG       GLU  10   0.721  -7.582 -26.925
   71   2HG   GLU  10          1HG       GLU  10  -0.883  -8.308 -26.825
   72    H    PHE  11           H        PHE  11   1.081  -4.293 -25.077
   73    HA   PHE  11           HA       PHE  11   3.540  -5.802 -25.263
   74   1HB   PHE  11          2HB       PHE  11   2.762  -3.071 -25.523
   75   2HB   PHE  11          1HB       PHE  11   4.030  -3.138 -24.301
   76    HD1  PHE  11           HD1      PHE  11   5.376  -5.692 -25.443
   77    HD2  PHE  11           HD2      PHE  11   4.106  -2.004 -27.252
   78    HE1  PHE  11           HE1      PHE  11   7.063  -5.983 -27.231
   79    HE2  PHE  11           HE2      PHE  11   5.796  -2.302 -29.036
   80    HZ   PHE  11           HZ       PHE  11   7.274  -4.291 -29.029
   81    H    GLN  12           H        GLN  12   1.485  -5.312 -22.690
   82    HA   GLN  12           HA       GLN  12   3.468  -4.899 -20.595
   83   1HB   GLN  12          2HB       GLN  12   0.540  -5.596 -20.657
   84   2HB   GLN  12          1HB       GLN  12   1.452  -5.743 -19.154
   85   1HG   GLN  12          2HG       GLN  12   2.162  -3.386 -19.356
   86   2HG   GLN  12          1HG       GLN  12   1.246  -3.239 -20.856
   87   1HE2  GLN  12          1HE2      GLN  12   0.496  -1.506 -18.847
   88   2HE2  GLN  12          2HE2      GLN  12  -0.970  -1.994 -18.144
   89    H    ALA  13           H        ALA  13   1.905  -7.672 -22.123
   90    HA   ALA  13           HA       ALA  13   2.797  -9.626 -20.200
   91   1HB   ALA  13          2HB       ALA  13   1.695  -9.687 -22.976
   92   2HB   ALA  13          3HB       ALA  13   1.140 -10.531 -21.530
   93   3HB   ALA  13          1HB       ALA  13   2.551 -11.121 -22.409
   94    H    PHE  14           H        PHE  14   4.308  -8.005 -22.888
   95    HA   PHE  14           HA       PHE  14   6.544  -9.908 -23.027
   96   1HB   PHE  14          2HB       PHE  14   6.083  -7.204 -24.322
   97   2HB   PHE  14          1HB       PHE  14   7.491  -8.221 -24.627
   98    HD1  PHE  14           HD1      PHE  14   7.191 -10.496 -25.645
   99    HD2  PHE  14           HD2      PHE  14   3.959  -7.685 -25.316
  100    HE1  PHE  14           HE1      PHE  14   5.898 -11.787 -27.321
  101    HE2  PHE  14           HE2      PHE  14   2.666  -8.976 -26.993
  102    HZ   PHE  14           HZ       PHE  14   3.635 -11.027 -27.995
  103    H    MET  15           H        MET  15   5.656  -7.510 -20.897
  104    HA   MET  15           HA       MET  15   8.291  -6.317 -20.468
  105   1HB   MET  15          2HB       MET  15   5.904  -5.341 -19.940
  106   2HB   MET  15          1HB       MET  15   6.079  -6.245 -18.436
  107   1HG   MET  15          2HG       MET  15   8.198  -4.337 -19.453
  108   2HG   MET  15          1HG       MET  15   6.901  -3.832 -18.369
  109   1HE   MET  15          3HE       MET  15   6.305  -4.963 -16.245
  110   2HE   MET  15          2HE       MET  15   6.557  -6.655 -16.668
  111   3HE   MET  15          1HE       MET  15   7.353  -5.981 -15.248
  112    H    LYS  16           H        LYS  16   9.847  -7.067 -19.083
  113    HA   LYS  16           HA       LYS  16   9.099  -9.113 -17.060
  114   1HB   LYS  16          2HB       LYS  16   9.919 -10.209 -19.211
  115   2HB   LYS  16          1HB       LYS  16  11.482  -9.458 -18.893
  116   1HG   LYS  16          2HG       LYS  16  11.584 -10.592 -16.703
  117   2HG   LYS  16          1HG       LYS  16  10.016 -11.337 -17.015
  118   1HD   LYS  16          2HD       LYS  16  10.953 -12.465 -19.006
  119   2HD   LYS  16          1HD       LYS  16  12.522 -11.728 -18.682
  120   1HE   LYS  16          2HE       LYS  16  12.560 -13.968 -17.770
  121   2HE   LYS  16          1HE       LYS  16  12.483 -12.840 -16.417
  122   1HZ   LYS  16          3HZ       LYS  16  10.063 -14.051 -17.615
  123   2HZ   LYS  16          2HZ       LYS  16  10.909 -14.785 -16.338
  124   3HZ   LYS  16          1HZ       LYS  16  10.205 -13.253 -16.125
  125    H    ASN  17           H        ASN  17  10.442  -9.062 -15.217
  126    HA   ASN  17           HA       ASN  17  11.815  -7.975 -13.646
  127   1HB   ASN  17          2HB       ASN  17  13.412  -9.032 -15.489
  128   2HB   ASN  17          1HB       ASN  17  13.746  -7.337 -15.844
  129   1HD2  ASN  17          1HD2      ASN  17  15.826  -8.898 -14.786
  130   2HD2  ASN  17          2HD2      ASN  17  16.133  -8.431 -13.183
  131    H    GLY  18           H        GLY  18   9.859  -6.328 -15.150
  132   1HA   GLY  18          1HA       GLY  18  10.855  -3.722 -14.330
  133   2HA   GLY  18          2HA       GLY  18   9.302  -4.035 -15.106
  134    H    LYS  19           H        LYS  19  11.059  -5.596 -17.172
  135    HA   LYS  19           HA       LYS  19  11.917  -3.179 -18.711
  136   1HB   LYS  19          2HB       LYS  19  13.708  -4.878 -18.019
  137   2HB   LYS  19          1HB       LYS  19  12.924  -5.998 -19.131
  138   1HG   LYS  19          2HG       LYS  19  13.168  -3.635 -20.601
  139   2HG   LYS  19          1HG       LYS  19  14.687  -3.745 -19.712
  140   1HD   LYS  19          2HD       LYS  19  14.652  -6.249 -20.488
  141   2HD   LYS  19          1HD       LYS  19  13.520  -5.668 -21.709
  142   1HE   LYS  19          2HE       LYS  19  15.505  -5.321 -22.843
  143   2HE   LYS  19          1HE       LYS  19  15.379  -3.776 -22.002
  144   1HZ   LYS  19          2HZ       LYS  19  16.654  -4.948 -20.148
  145   2HZ   LYS  19          1HZ       LYS  19  17.050  -6.112 -21.321
  146   3HZ   LYS  19          3HZ       LYS  19  17.520  -4.497 -21.539
  147    H    LEU  20           H        LEU  20  11.111  -2.980 -20.808
  148    HA   LEU  20           HA       LEU  20   8.931  -4.860 -21.515
  149   1HB   LEU  20          2HB       LEU  20   8.310  -2.547 -21.690
  150   2HB   LEU  20          1HB       LEU  20   9.765  -2.163 -22.609
  151    HG   LEU  20           HG       LEU  20   8.955  -3.738 -24.402
  152   1HD1  LEU  20          2HD1      LEU  20   7.032  -4.333 -22.358
  153   2HD1  LEU  20          1HD1      LEU  20   6.182  -3.695 -23.765
  154   3HD1  LEU  20          3HD1      LEU  20   7.232  -5.103 -23.931
  155   1HD2  LEU  20          1HD2      LEU  20   7.254  -1.360 -23.621
  156   2HD2  LEU  20          3HD2      LEU  20   8.613  -1.388 -24.744
  157   3HD2  LEU  20          2HD2      LEU  20   7.102  -2.190 -25.172
  158    H    PHE  21           H        PHE  21   9.068  -6.251 -23.249
  159    HA   PHE  21           HA       PHE  21  11.703  -6.403 -24.603
  160   1HB   PHE  21          2HB       PHE  21   9.360  -8.317 -24.445
  161   2HB   PHE  21          1HB       PHE  21  10.780  -8.608 -25.450
  162    HD1  PHE  21           HD1      PHE  21  12.926  -7.486 -23.712
  163    HD2  PHE  21           HD2      PHE  21   9.543  -9.949 -22.741
  164    HE1  PHE  21           HE1      PHE  21  14.137  -8.371 -21.738
  165    HE2  PHE  21           HE2      PHE  21  10.756 -10.838 -20.769
  166    HZ   PHE  21           HZ       PHE  21  13.053 -10.049 -20.268
  167    H    CYS  22           H        CYS  22  11.920  -5.578 -26.616
  168    HA   CYS  22           HA       CYS  22   9.447  -4.950 -28.155
  169   1HB   CYS  22          2HB       CYS  22  12.286  -3.936 -28.502
  170   2HB   CYS  22          1HB       CYS  22  10.888  -3.406 -29.437
  171    HA   PRO  23           HA       PRO  23  11.422  -8.605 -30.371
  172   1HB   PRO  23          2HB       PRO  23   9.133 -10.009 -30.667
  173   2HB   PRO  23          1HB       PRO  23  10.160 -10.144 -29.238
  174   1HG   PRO  23          2HG       PRO  23   7.646  -8.566 -29.625
  175   2HG   PRO  23          1HG       PRO  23   8.142  -9.545 -28.241
  176   1HD   PRO  23          2HD       PRO  23   8.365  -6.847 -28.255
  177   2HD   PRO  23          1HD       PRO  23   9.499  -7.884 -27.390
  178    H    GLN  24           H        GLN  24  10.924  -9.294 -32.616
  179    HA   GLN  24           HA       GLN  24   9.515  -7.122 -34.086
  180   1HB   GLN  24          2HB       GLN  24  11.893  -7.694 -34.684
  181   2HB   GLN  24          1HB       GLN  24  11.327  -9.284 -35.197
  182   1HG   GLN  24          2HG       GLN  24   9.837  -8.249 -36.846
  183   2HG   GLN  24          1HG       GLN  24  10.320  -6.643 -36.301
  184   1HE2  GLN  24          1HE2      GLN  24  10.778  -7.178 -38.974
  185   2HE2  GLN  24          2HE2      GLN  24  12.431  -7.436 -39.260
  186    H    ASP  25           H        ASP  25   7.431  -7.585 -34.579
  187    HA   ASP  25           HA       ASP  25   6.669 -10.432 -35.012
  188   1HB   ASP  25          2HB       ASP  25   4.357  -9.661 -34.708
  189   2HB   ASP  25          1HB       ASP  25   5.353  -9.139 -33.350
  190    H    LYS  26           H        LYS  26   5.006 -10.763 -36.805
  191    HA   LYS  26           HA       LYS  26   5.989  -9.384 -39.228
  192   1HB   LYS  26          2HB       LYS  26   4.103 -11.735 -38.884
  193   2HB   LYS  26          1HB       LYS  26   4.669 -11.114 -40.434
  194   1HG   LYS  26          2HG       LYS  26   7.016 -11.544 -39.710
  195   2HG   LYS  26          1HG       LYS  26   6.400 -12.249 -38.216
  196   1HD   LYS  26          2HD       LYS  26   5.124 -13.912 -39.569
  197   2HD   LYS  26          1HD       LYS  26   5.851 -13.242 -41.029
  198   1HE   LYS  26          2HE       LYS  26   7.506 -14.273 -38.716
  199   2HE   LYS  26          1HE       LYS  26   7.007 -15.304 -40.057
  200   1HZ   LYS  26          1HZ       LYS  26   8.515 -12.763 -40.355
  201   2HZ   LYS  26          3HZ       LYS  26   9.220 -14.306 -40.370
  202   3HZ   LYS  26          2HZ       LYS  26   8.124 -13.863 -41.591
  203    H    LYS  27           H        LYS  27   3.697  -8.681 -37.007
  204    HA   LYS  27           HA       LYS  27   1.811  -7.613 -39.070
  205   1HB   LYS  27          2HB       LYS  27   0.850  -9.289 -37.448
  206   2HB   LYS  27          1HB       LYS  27   1.209  -8.153 -36.148
  207   1HG   LYS  27          2HG       LYS  27  -0.958  -7.505 -36.619
  208   2HG   LYS  27          1HG       LYS  27  -0.101  -6.475 -37.765
  209   1HD   LYS  27          2HD       LYS  27  -0.339  -8.690 -39.279
  210   2HD   LYS  27          1HD       LYS  27  -1.765  -8.894 -38.262
  211   1HE   LYS  27          2HE       LYS  27  -2.827  -7.073 -39.157
  212   2HE   LYS  27          1HE       LYS  27  -1.326  -6.167 -39.350
  213   1HZ   LYS  27          3HZ       LYS  27  -1.934  -8.529 -41.019
  214   2HZ   LYS  27          2HZ       LYS  27  -2.480  -6.978 -41.445
  215   3HZ   LYS  27          1HZ       LYS  27  -0.815  -7.288 -41.312
  216    HA   PRO  28           HA       PRO  28   3.984  -3.974 -37.137
  217   1HB   PRO  28          2HB       PRO  28   4.141  -2.560 -39.435
  218   2HB   PRO  28          1HB       PRO  28   5.346  -3.759 -38.960
  219   1HG   PRO  28          2HG       PRO  28   3.056  -4.024 -40.871
  220   2HG   PRO  28          1HG       PRO  28   4.716  -4.603 -41.039
  221   1HD   PRO  28          1HD       PRO  28   2.687  -6.239 -40.314
  222   2HD   PRO  28          2HD       PRO  28   4.334  -6.468 -39.728
  223    H    ILE  29           H        ILE  29   2.755  -2.412 -36.208
  224    HA   ILE  29           HA       ILE  29   0.132  -1.748 -37.463
  225    HB   ILE  29           HB       ILE  29   0.231  -2.604 -35.068
  226   1HG1  ILE  29          2HG1      ILE  29  -0.933   0.092 -35.776
  227   2HG1  ILE  29          1HG1      ILE  29  -1.754  -1.466 -35.718
  228   1HG2  ILE  29          1HG2      ILE  29   2.214  -0.569 -34.922
  229   2HG2  ILE  29          3HG2      ILE  29   0.886  -0.064 -33.880
  230   3HG2  ILE  29          2HG2      ILE  29   1.665  -1.625 -33.623
  231   1HD1  ILE  29          2HD1      ILE  29  -0.585  -0.015 -33.329
  232   2HD1  ILE  29          1HD1      ILE  29  -2.296  -0.045 -33.757
  233   3HD1  ILE  29          3HD1      ILE  29  -1.479  -1.535 -33.284
  234    H    GLN  30           H        GLN  30  -0.512   0.539 -37.475
  235    HA   GLN  30           HA       GLN  30   1.838   2.319 -37.866
  236   1HB   GLN  30          2HB       GLN  30  -1.074   2.567 -38.673
  237   2HB   GLN  30          1HB       GLN  30   0.103   3.865 -38.880
  238   1HG   GLN  30          2HG       GLN  30   1.514   2.338 -40.241
  239   2HG   GLN  30          1HG       GLN  30   0.287   1.082 -40.076
  240   1HE2  GLN  30          1HE2      GLN  30   0.977   2.062 -42.657
  241   2HE2  GLN  30          2HE2      GLN  30  -0.333   2.944 -43.279
  242    H    SER  31           H        SER  31   2.401   3.395 -36.033
  243    HA   SER  31           HA       SER  31   0.416   3.921 -33.940
  244   1HB   SER  31          2HB       SER  31   3.143   3.485 -33.943
  245   2HB   SER  31          1HB       SER  31   3.027   5.223 -33.658
  246    HG   SER  31           HG       SER  31   1.265   3.590 -32.265
  247    H    LEU  32           H        LEU  32   1.145   6.356 -32.933
  248    HA   LEU  32           HA       LEU  32   0.593   8.271 -35.162
  249   1HB   LEU  32          2HB       LEU  32  -0.854   9.509 -33.477
  250   2HB   LEU  32          1HB       LEU  32  -1.504   7.963 -34.025
  251    HG   LEU  32           HG       LEU  32   0.251   7.598 -31.738
  252   1HD1  LEU  32          2HD1      LEU  32  -2.110   9.477 -31.430
  253   2HD1  LEU  32          1HD1      LEU  32  -1.286   8.688 -30.084
  254   3HD1  LEU  32          3HD1      LEU  32  -0.419   9.847 -31.093
  255   1HD2  LEU  32          2HD2      LEU  32  -2.698   7.092 -32.240
  256   2HD2  LEU  32          1HD2      LEU  32  -1.383   5.945 -32.497
  257   3HD2  LEU  32          3HD2      LEU  32  -1.791   6.466 -30.861
  258    H    ASP  33           H        ASP  33   2.737   7.405 -32.805
  259    HA   ASP  33           HA       ASP  33   3.371  10.114 -31.846
  260   1HB   ASP  33          2HB       ASP  33   4.654   7.409 -31.417
  261   2HB   ASP  33          1HB       ASP  33   5.320   8.901 -30.753
  262    H    GLY  34           H        GLY  34   3.786   8.767 -34.750
  263   1HA   GLY  34          1HA       GLY  34   6.284  10.304 -35.223
  264   2HA   GLY  34          2HA       GLY  34   5.141   9.802 -36.468
  265    H    ILE  35           H        ILE  35   5.433   7.161 -34.552
  266    HA   ILE  35           HA       ILE  35   7.760   6.116 -36.119
  267    HB   ILE  35           HB       ILE  35   6.783   5.169 -33.408
  268   1HG1  ILE  35          2HG1      ILE  35   9.408   6.536 -33.815
  269   2HG1  ILE  35          1HG1      ILE  35   7.960   7.540 -33.760
  270   1HG2  ILE  35          1HG2      ILE  35   9.234   4.511 -35.068
  271   2HG2  ILE  35          3HG2      ILE  35   8.976   3.975 -33.408
  272   3HG2  ILE  35          2HG2      ILE  35   7.901   3.419 -34.690
  273   1HD1  ILE  35          1HD1      ILE  35   7.542   5.837 -31.643
  274   2HD1  ILE  35          3HD1      ILE  35   9.293   6.044 -31.598
  275   3HD1  ILE  35          2HD1      ILE  35   8.235   7.453 -31.505
  276    H    MET  36           H        MET  36   7.582   3.688 -36.507
  277    HA   MET  36           HA       MET  36   4.732   3.014 -37.118
  278   1HB   MET  36          2HB       MET  36   7.320   2.110 -38.412
  279   2HB   MET  36          1HB       MET  36   5.733   1.459 -38.822
  280   1HG   MET  36          2HG       MET  36   4.986   3.809 -39.335
  281   2HG   MET  36          1HG       MET  36   6.654   4.334 -39.101
  282   1HE   MET  36          1HE       MET  36   4.941   1.181 -40.648
  283   2HE   MET  36          3HE       MET  36   4.062   2.589 -41.261
  284   3HE   MET  36          2HE       MET  36   4.987   1.574 -42.365
  285    H    PHE  37           H        PHE  37   3.993   1.728 -35.480
  286    HA   PHE  37           HA       PHE  37   3.800  -0.156 -34.110
  287   1HB   PHE  37          2HB       PHE  37   4.336  -1.454 -36.100
  288   2HB   PHE  37          1HB       PHE  37   6.058  -1.174 -35.848
  289    HD1  PHE  37           HD1      PHE  37   3.029  -2.775 -34.398
  290    HD2  PHE  37           HD2      PHE  37   7.311  -2.464 -34.277
  291    HE1  PHE  37           HE1      PHE  37   3.128  -4.735 -32.882
  292    HE2  PHE  37           HE2      PHE  37   7.410  -4.423 -32.760
  293    HZ   PHE  37           HZ       PHE  37   5.319  -5.559 -32.062
  294    H    ILE  38           H        ILE  38   7.295   0.338 -34.705
  295    HA   ILE  38           HA       ILE  38   8.320  -0.469 -32.265
  296    HB   ILE  38           HB       ILE  38   9.100   2.079 -33.720
  297   1HG1  ILE  38          2HG1      ILE  38   9.188   0.252 -35.278
  298   2HG1  ILE  38          1HG1      ILE  38  10.842   0.536 -34.737
  299   1HG2  ILE  38          3HG2      ILE  38  10.340   0.432 -31.540
  300   2HG2  ILE  38          2HG2      ILE  38  11.389   1.253 -32.696
  301   3HG2  ILE  38          1HG2      ILE  38  10.266   2.186 -31.707
  302   1HD1  ILE  38          1HD1      ILE  38  10.599  -1.283 -33.074
  303   2HD1  ILE  38          3HD1      ILE  38   8.957  -1.577 -33.646
  304   3HD1  ILE  38          2HD1      ILE  38  10.328  -1.872 -34.715
  305    H    ASN  39           H        ASN  39   6.320   2.310 -32.936
  306    HA   ASN  39           HA       ASN  39   6.780   3.873 -30.629
  307   1HB   ASN  39          2HB       ASN  39   5.287   4.473 -32.588
  308   2HB   ASN  39          1HB       ASN  39   4.072   3.399 -31.898
  309   1HD2  ASN  39          1HD2      ASN  39   2.536   4.768 -30.943
  310   2HD2  ASN  39          2HD2      ASN  39   2.907   6.046 -29.890
  311    H    LYS  40           H        LYS  40   4.334   1.274 -31.083
  312    HA   LYS  40           HA       LYS  40   3.172   1.257 -28.585
  313   1HB   LYS  40          2HB       LYS  40   4.055  -1.113 -30.248
  314   2HB   LYS  40          1HB       LYS  40   3.060  -1.276 -28.801
  315   1HG   LYS  40          2HG       LYS  40   1.549   0.525 -29.965
  316   2HG   LYS  40          1HG       LYS  40   2.373   0.001 -31.434
  317   1HD   LYS  40          2HD       LYS  40   1.746  -2.361 -30.881
  318   2HD   LYS  40          1HD       LYS  40   0.817  -1.755 -29.511
  319   1HE   LYS  40          2HE       LYS  40  -0.203  -0.183 -31.447
  320   2HE   LYS  40          1HE       LYS  40   0.235  -1.585 -32.423
  321   1HZ   LYS  40          1HZ       LYS  40  -1.210  -1.961 -29.890
  322   2HZ   LYS  40          3HZ       LYS  40  -2.063  -1.499 -31.282
  323   3HZ   LYS  40          2HZ       LYS  40  -1.183  -2.951 -31.271
  324    H    CYS  41           H        CYS  41   6.274  -0.243 -29.418
  325    HA   CYS  41           HA       CYS  41   6.801  -0.992 -26.636
  326   1HB   CYS  41          2HB       CYS  41   7.708  -1.921 -29.029
  327   2HB   CYS  41          1HB       CYS  41   9.036  -0.861 -28.574
  328    H    ALA  42           H        ALA  42   7.586   1.624 -28.829
  329    HA   ALA  42           HA       ALA  42   9.614   2.790 -27.082
  330   1HB   ALA  42          3HB       ALA  42  10.109   3.993 -28.919
  331   2HB   ALA  42          2HB       ALA  42   8.840   3.102 -29.762
  332   3HB   ALA  42          1HB       ALA  42   8.472   4.646 -28.995
  333    H    THR  43           H        THR  43   6.137   2.976 -27.288
  334    HA   THR  43           HA       THR  43   6.201   5.449 -25.608
  335    HB   THR  43           HB       THR  43   3.543   4.589 -26.381
  336    HG1  THR  43           HG1      THR  43   5.330   5.174 -28.495
  337   1HG2  THR  43          3HG2      THR  43   4.739   6.912 -25.770
  338   2HG2  THR  43          2HG2      THR  43   4.858   7.001 -27.527
  339   3HG2  THR  43          1HG2      THR  43   3.280   6.839 -26.758
  340    H    CYS  44           H        CYS  44   5.269   2.075 -25.662
  341    HA   CYS  44           HA       CYS  44   3.771   2.256 -23.157
  342   1HB   CYS  44          2HB       CYS  44   4.764  -0.084 -24.801
  343   2HB   CYS  44          1HB       CYS  44   3.844  -0.269 -23.308
  344    H    LYS  45           H        LYS  45   7.077   1.694 -24.125
  345    HA   LYS  45           HA       LYS  45   8.088   0.323 -21.880
  346   1HB   LYS  45          2HB       LYS  45   9.386   1.004 -23.947
  347   2HB   LYS  45          1HB       LYS  45   9.481   2.629 -23.270
  348   1HG   LYS  45          2HG       LYS  45  10.620   1.750 -21.278
  349   2HG   LYS  45          1HG       LYS  45  10.492   0.110 -21.915
  350   1HD   LYS  45          2HD       LYS  45  11.813   0.838 -23.913
  351   2HD   LYS  45          1HD       LYS  45  12.026   2.415 -23.153
  352   1HE   LYS  45          2HE       LYS  45  12.725   0.031 -21.511
  353   2HE   LYS  45          1HE       LYS  45  13.807   0.419 -22.849
  354   1HZ   LYS  45          1HZ       LYS  45  12.950   2.312 -20.727
  355   2HZ   LYS  45          3HZ       LYS  45  14.458   1.541 -20.803
  356   3HZ   LYS  45          2HZ       LYS  45  14.017   2.660 -22.003
  357    H    MET  46           H        MET  46   7.552   3.825 -22.309
  358    HA   MET  46           HA       MET  46   8.368   4.415 -19.566
  359   1HB   MET  46          2HB       MET  46   6.865   6.117 -21.581
  360   2HB   MET  46          1HB       MET  46   7.575   6.697 -20.075
  361   1HG   MET  46          2HG       MET  46   9.811   5.953 -20.875
  362   2HG   MET  46          1HG       MET  46   9.079   5.457 -22.401
  363   1HE   MET  46          2HE       MET  46   7.512   6.798 -23.592
  364   2HE   MET  46          1HE       MET  46   6.841   8.182 -22.732
  365   3HE   MET  46          3HE       MET  46   7.884   8.432 -24.139
  366    H    ILE  47           H        ILE  47   5.466   3.471 -21.197
  367    HA   ILE  47           HA       ILE  47   3.659   4.427 -19.106
  368    HB   ILE  47           HB       ILE  47   3.217   2.477 -21.390
  369   1HG1  ILE  47          2HG1      ILE  47   2.327   5.358 -21.131
  370   2HG1  ILE  47          1HG1      ILE  47   3.821   4.891 -21.942
  371   1HG2  ILE  47          1HG2      ILE  47   1.527   3.406 -19.155
  372   2HG2  ILE  47          3HG2      ILE  47   0.781   3.557 -20.747
  373   3HG2  ILE  47          2HG2      ILE  47   1.349   1.984 -20.184
  374   1HD1  ILE  47          1HD1      ILE  47   1.171   3.648 -22.682
  375   2HD1  ILE  47          3HD1      ILE  47   1.712   5.160 -23.410
  376   3HD1  ILE  47          2HD1      ILE  47   2.661   3.689 -23.625
  377    H    LEU  48           H        LEU  48   5.441   1.482 -19.835
  378    HA   LEU  48           HA       LEU  48   3.965  -0.142 -17.910
  379   1HB   LEU  48          2HB       LEU  48   6.672  -0.581 -19.212
  380   2HB   LEU  48          1HB       LEU  48   5.812  -1.777 -18.246
  381    HG   LEU  48           HG       LEU  48   5.099  -0.678 -20.958
  382   1HD1  LEU  48          2HD1      LEU  48   5.360  -3.416 -19.699
  383   2HD1  LEU  48          1HD1      LEU  48   4.647  -3.166 -21.293
  384   3HD1  LEU  48          3HD1      LEU  48   6.331  -2.728 -21.001
  385   1HD2  LEU  48          3HD2      LEU  48   3.231  -1.919 -18.921
  386   2HD2  LEU  48          2HD2      LEU  48   3.050  -0.364 -19.733
  387   3HD2  LEU  48          1HD2      LEU  48   2.873  -1.862 -20.647
  388    H    GLU  49           H        GLU  49   6.609   2.096 -17.811
  389    HA   GLU  49           HA       GLU  49   7.769   1.163 -15.323
  390   1HB   GLU  49          2HB       GLU  49   7.883   3.853 -16.722
  391   2HB   GLU  49          1HB       GLU  49   8.830   3.441 -15.292
  392   1HG   GLU  49          2HG       GLU  49   9.892   1.589 -16.509
  393   2HG   GLU  49          1HG       GLU  49   8.916   1.949 -17.933
  394    H    LYS  50           H        LYS  50   5.262   3.500 -16.207
  395    HA   LYS  50           HA       LYS  50   4.878   4.780 -13.732
  396   1HB   LYS  50          2HB       LYS  50   3.660   5.354 -15.831
  397   2HB   LYS  50          1HB       LYS  50   2.710   3.879 -15.655
  398   1HG   LYS  50          2HG       LYS  50   1.830   4.668 -13.510
  399   2HG   LYS  50          1HG       LYS  50   2.834   6.115 -13.608
  400   1HD   LYS  50          2HD       LYS  50   0.593   6.688 -14.349
  401   2HD   LYS  50          1HD       LYS  50   1.662   6.705 -15.751
  402   1HE   LYS  50          2HE       LYS  50   0.598   4.951 -16.725
  403   2HE   LYS  50          1HE       LYS  50   0.466   4.072 -15.202
  404   1HZ   LYS  50          2HZ       LYS  50  -1.208   6.430 -15.844
  405   2HZ   LYS  50          1HZ       LYS  50  -1.682   4.840 -16.209
  406   3HZ   LYS  50          3HZ       LYS  50  -1.431   5.299 -14.596
  407    H    GLU  51           H        GLU  51   3.815   1.584 -14.814
  408    HA   GLU  51           HA       GLU  51   2.098   0.990 -12.611
  409   1HB   GLU  51          2HB       GLU  51   2.243  -0.368 -14.705
  410   2HB   GLU  51          1HB       GLU  51   3.829  -0.940 -14.188
  411   1HG   GLU  51          2HG       GLU  51   2.235  -2.612 -13.519
  412   2HG   GLU  51          1HG       GLU  51   2.720  -1.756 -12.056
  413    H    ALA  52           H        ALA  52   5.591   0.904 -12.985
  414    HA   ALA  52           HA       ALA  52   6.195  -0.671 -10.670
  415   1HB   ALA  52          1HB       ALA  52   7.658   0.638 -12.662
  416   2HB   ALA  52          3HB       ALA  52   8.131   1.449 -11.170
  417   3HB   ALA  52          2HB       ALA  52   8.325  -0.297 -11.324
  418    H    LYS  53           H        LYS  53   5.266   2.674 -11.092
  419    HA   LYS  53           HA       LYS  53   4.811   4.351  -9.518
  420   1HB   LYS  53          2HB       LYS  53   4.702   1.964  -7.648
  421   2HB   LYS  53          1HB       LYS  53   4.093   3.578  -7.280
  422   1HG   LYS  53          2HG       LYS  53   2.555   3.410  -9.232
  423   2HG   LYS  53          1HG       LYS  53   3.127   1.765  -9.514
  424   1HD   LYS  53          2HD       LYS  53   2.379   1.148  -7.217
  425   2HD   LYS  53          1HD       LYS  53   1.732   2.776  -7.017
  426   1HE   LYS  53          2HE       LYS  53  -0.185   1.988  -7.921
  427   2HE   LYS  53          1HE       LYS  53   0.679   1.934  -9.457
  428   1HZ   LYS  53          1HZ       LYS  53   1.225  -0.307  -7.738
  429   2HZ   LYS  53          3HZ       LYS  53  -0.402  -0.199  -8.205
  430   3HZ   LYS  53          2HZ       LYS  53   0.816  -0.276  -9.386
  431    H    SER  54           H        SER  54   7.478   4.134 -10.125
  432    HA   SER  54           HA       SER  54   9.237   3.671  -7.932
  433   1HB   SER  54          2HB       SER  54  10.878   4.930  -9.193
  434   2HB   SER  54          1HB       SER  54   9.925   3.985 -10.337
  435    HG   SER  54           HG       SER  54  10.299   6.339 -10.755
  436    H    GLN  55           H        GLN  55   7.167   6.377  -8.726
  437    HA   GLN  55           HA       GLN  55   8.182   7.766  -6.277
  438   1HB   GLN  55          2HB       GLN  55   7.194   8.987  -8.872
  439   2HB   GLN  55          1HB       GLN  55   7.534   9.907  -7.407
  440   1HG   GLN  55          2HG       GLN  55   9.869   9.129  -7.446
  441   2HG   GLN  55          1HG       GLN  55   9.536   8.176  -8.892
  442   1HE2  GLN  55          1HE2      GLN  55  11.508  10.237  -8.947
  443   2HE2  GLN  55          2HE2      GLN  55  10.951  11.498  -9.937

  No H/Q in entry =         443
  Start of MODEL   15
    1    H1   LYS   1          1H        LYS   1  -8.426  -0.191  -9.898
    2    H2   LYS   1          3H        LYS   1  -6.987  -0.110  -9.004
    3    H3   LYS   1          2H        LYS   1  -7.565  -1.613  -9.545
    4    HA   LYS   1           HA       LYS   1  -9.058  -1.815  -7.895
    5   1HB   LYS   1          2HB       LYS   1  -7.185   0.303  -6.795
    6   2HB   LYS   1          1HB       LYS   1  -8.254  -0.699  -5.813
    7   1HG   LYS   1          2HG       LYS   1  -7.131  -2.730  -6.745
    8   2HG   LYS   1          1HG       LYS   1  -6.006  -1.675  -7.600
    9   1HD   LYS   1          2HD       LYS   1  -5.350  -0.674  -5.402
   10   2HD   LYS   1          1HD       LYS   1  -6.388  -1.850  -4.596
   11   1HE   LYS   1          2HE       LYS   1  -4.838  -3.389  -6.336
   12   2HE   LYS   1          1HE       LYS   1  -3.708  -2.199  -5.690
   13   1HZ   LYS   1          2HZ       LYS   1  -5.518  -3.380  -3.760
   14   2HZ   LYS   1          1HZ       LYS   1  -4.379  -4.449  -4.428
   15   3HZ   LYS   1          3HZ       LYS   1  -3.858  -3.045  -3.632
   16    H    ASN   2           H        ASN   2  -8.538   1.611  -8.664
   17    HA   ASN   2           HA       ASN   2 -10.767   2.676  -7.264
   18   1HB   ASN   2          2HB       ASN   2  -9.530   3.579  -9.884
   19   2HB   ASN   2          1HB       ASN   2 -10.652   4.537  -8.916
   20   1HD2  ASN   2          1HD2      ASN   2  -7.980   5.448  -9.424
   21   2HD2  ASN   2          2HD2      ASN   2  -7.123   5.437  -7.959
   22    H    GLU   3           H        GLU   3 -10.555   0.978 -10.338
   23    HA   GLU   3           HA       GLU   3 -13.131   1.655 -11.362
   24   1HB   GLU   3          2HB       GLU   3 -11.343   0.478 -12.659
   25   2HB   GLU   3          1HB       GLU   3 -11.647  -0.969 -11.698
   26   1HG   GLU   3          2HG       GLU   3 -14.035  -0.905 -12.452
   27   2HG   GLU   3          1HG       GLU   3 -13.627   0.449 -13.506
   28    H    ASP   4           H        ASP   4 -12.095  -0.660  -8.929
   29    HA   ASP   4           HA       ASP   4 -14.479  -2.229  -8.814
   30   1HB   ASP   4          2HB       ASP   4 -12.647  -1.511  -6.506
   31   2HB   ASP   4          1HB       ASP   4 -13.719  -2.908  -6.607
   32    H    GLN   5           H        GLN   5 -13.681   0.945  -7.560
   33    HA   GLN   5           HA       GLN   5 -15.811   1.166  -5.655
   34   1HB   GLN   5          2HB       GLN   5 -14.436   3.316  -7.296
   35   2HB   GLN   5          1HB       GLN   5 -15.473   3.617  -5.902
   36   1HG   GLN   5          2HG       GLN   5 -13.945   2.294  -4.481
   37   2HG   GLN   5          1HG       GLN   5 -12.906   1.998  -5.876
   38   1HE2  GLN   5          1HE2      GLN   5 -12.038   3.424  -3.483
   39   2HE2  GLN   5          2HE2      GLN   5 -11.679   5.017  -3.946
   40    H    GLU   6           H        GLU   6 -15.679   1.519  -9.144
   41    HA   GLU   6           HA       GLU   6 -18.107   2.940  -9.554
   42   1HB   GLU   6          2HB       GLU   6 -16.427   2.420 -11.336
   43   2HB   GLU   6          1HB       GLU   6 -16.962   0.740 -11.300
   44   1HG   GLU   6          2HG       GLU   6 -19.284   1.525 -11.822
   45   2HG   GLU   6          1HG       GLU   6 -18.651   3.162 -11.994
   46    H    MET   7           H        MET   7 -17.478  -0.480  -8.920
   47    HA   MET   7           HA       MET   7 -20.128  -1.419  -9.499
   48   1HB   MET   7          2HB       MET   7 -17.869  -2.467  -7.795
   49   2HB   MET   7          1HB       MET   7 -19.427  -3.292  -7.853
   50   1HG   MET   7          2HG       MET   7 -19.230  -3.371 -10.350
   51   2HG   MET   7          1HG       MET   7 -17.610  -2.688 -10.205
   52   1HE   MET   7          1HE       MET   7 -15.861  -3.715  -8.459
   53   2HE   MET   7          3HE       MET   7 -17.091  -4.087  -7.244
   54   3HE   MET   7          2HE       MET   7 -15.970  -5.336  -7.778
   55    H    CYS   8           H        CYS   8 -18.675   0.104  -6.686
   56    HA   CYS   8           HA       CYS   8 -20.804  -0.548  -4.851
   57   1HB   CYS   8          2HB       CYS   8 -18.584   0.185  -4.061
   58   2HB   CYS   8          1HB       CYS   8 -18.842   1.766  -4.800
   59    H    HIS   9           H        HIS   9 -20.174   2.193  -7.013
   60    HA   HIS   9           HA       HIS   9 -22.095   4.025  -6.248
   61   1HB   HIS   9          2HB       HIS   9 -20.792   4.571  -8.156
   62   2HB   HIS   9          1HB       HIS   9 -21.264   3.098  -9.001
   63    HD1  HIS   9           HD1      HIS   9 -24.005   2.975  -9.459
   64    HD2  HIS   9           HD2      HIS   9 -22.319   6.747  -8.909
   65    HE1  HIS   9           HE1      HIS   9 -25.660   4.639 -10.399
   66    H    GLU  10           H        GLU  10 -22.687   1.154  -8.292
   67    HA   GLU  10           HA       GLU  10 -25.481   1.515  -8.596
   68   1HB   GLU  10          2HB       GLU  10 -24.053  -0.156  -9.829
   69   2HB   GLU  10          1HB       GLU  10 -24.045  -1.143  -8.368
   70   1HG   GLU  10          2HG       GLU  10 -25.820  -1.925  -9.848
   71   2HG   GLU  10          1HG       GLU  10 -26.545  -1.171  -8.428
   72    H    PHE  11           H        PHE  11 -23.640  -0.078  -5.986
   73    HA   PHE  11           HA       PHE  11 -26.094  -0.894  -4.634
   74   1HB   PHE  11          2HB       PHE  11 -23.204  -1.250  -4.208
   75   2HB   PHE  11          1HB       PHE  11 -24.115  -1.042  -2.716
   76    HD1  PHE  11           HD1      PHE  11 -26.760  -2.280  -3.777
   77    HD2  PHE  11           HD2      PHE  11 -22.663  -3.586  -3.919
   78    HE1  PHE  11           HE1      PHE  11 -27.510  -4.629  -3.946
   79    HE2  PHE  11           HE2      PHE  11 -23.424  -5.932  -4.084
   80    HZ   PHE  11           HZ       PHE  11 -25.845  -6.458  -4.101
   81    H    GLN  12           H        GLN  12 -24.872   2.074  -5.109
   82    HA   GLN  12           HA       GLN  12 -25.110   3.098  -2.364
   83   1HB   GLN  12          2HB       GLN  12 -24.710   4.434  -5.054
   84   2HB   GLN  12          1HB       GLN  12 -24.903   5.344  -3.556
   85   1HG   GLN  12          2HG       GLN  12 -22.957   4.206  -2.589
   86   2HG   GLN  12          1HG       GLN  12 -22.781   3.233  -4.049
   87   1HE2  GLN  12          1HE2      GLN  12 -20.654   4.916  -3.197
   88   2HE2  GLN  12          2HE2      GLN  12 -20.489   6.196  -4.301
   89    H    ALA  13           H        ALA  13 -27.085   2.838  -5.260
   90    HA   ALA  13           HA       ALA  13 -29.185   4.597  -4.243
   91   1HB   ALA  13          2HB       ALA  13 -29.672   2.542  -6.376
   92   2HB   ALA  13          1HB       ALA  13 -30.282   4.193  -6.257
   93   3HB   ALA  13          3HB       ALA  13 -28.608   3.904  -6.730
   94    H    PHE  14           H        PHE  14 -28.345   1.232  -4.003
   95    HA   PHE  14           HA       PHE  14 -31.017   0.433  -3.062
   96   1HB   PHE  14          2HB       PHE  14 -28.371  -1.043  -3.211
   97   2HB   PHE  14          1HB       PHE  14 -29.872  -1.769  -2.637
   98    HD1  PHE  14           HD1      PHE  14 -31.857  -1.903  -4.190
   99    HD2  PHE  14           HD2      PHE  14 -27.943  -0.758  -5.538
  100    HE1  PHE  14           HE1      PHE  14 -32.526  -2.371  -6.532
  101    HE2  PHE  14           HE2      PHE  14 -28.612  -1.225  -7.880
  102    HZ   PHE  14           HZ       PHE  14 -30.904  -2.032  -8.377
  103    H    MET  15           H        MET  15 -28.594   2.189  -1.704
  104    HA   MET  15           HA       MET  15 -28.472   0.890   0.912
  105   1HB   MET  15          2HB       MET  15 -26.708   2.454  -0.219
  106   2HB   MET  15          1HB       MET  15 -27.717   3.759   0.405
  107   1HG   MET  15          2HG       MET  15 -26.682   1.497   2.134
  108   2HG   MET  15          1HG       MET  15 -25.834   3.033   1.945
  109   1HE   MET  15          2HE       MET  15 -27.111   5.041   1.711
  110   2HE   MET  15          1HE       MET  15 -28.740   5.360   2.303
  111   3HE   MET  15          3HE       MET  15 -27.343   5.630   3.355
  112    H    LYS  16           H        LYS  16 -29.813   1.283   2.630
  113    HA   LYS  16           HA       LYS  16 -31.586   3.675   2.518
  114   1HB   LYS  16          2HB       LYS  16 -32.704   1.498   1.655
  115   2HB   LYS  16          1HB       LYS  16 -32.674   0.985   3.342
  116   1HG   LYS  16          2HG       LYS  16 -33.902   3.033   3.983
  117   2HG   LYS  16          1HG       LYS  16 -33.937   3.538   2.294
  118   1HD   LYS  16          2HD       LYS  16 -35.259   1.582   1.690
  119   2HD   LYS  16          1HD       LYS  16 -35.129   0.949   3.331
  120   1HE   LYS  16          2HE       LYS  16 -36.152   3.699   3.231
  121   2HE   LYS  16          1HE       LYS  16 -37.188   2.541   2.396
  122   1HZ   LYS  16          1HZ       LYS  16 -36.916   1.121   4.460
  123   2HZ   LYS  16          3HZ       LYS  16 -36.309   2.512   5.218
  124   3HZ   LYS  16          2HZ       LYS  16 -37.894   2.503   4.605
  125    H    ASN  17           H        ASN  17 -32.033   4.543   4.550
  126    HA   ASN  17           HA       ASN  17 -31.579   4.987   6.814
  127   1HB   ASN  17          2HB       ASN  17 -31.874   1.976   7.021
  128   2HB   ASN  17          1HB       ASN  17 -32.080   3.142   8.328
  129   1HD2  ASN  17          1HD2      ASN  17 -33.528   5.149   6.804
  130   2HD2  ASN  17          2HD2      ASN  17 -35.053   4.506   6.430
  131    H    GLY  18           H        GLY  18 -29.273   4.416   5.045
  132   1HA   GLY  18          1HA       GLY  18 -27.256   4.160   7.118
  133   2HA   GLY  18          2HA       GLY  18 -26.943   4.322   5.389
  134    H    LYS  19           H        LYS  19 -28.907   1.967   5.039
  135    HA   LYS  19           HA       LYS  19 -26.947  -0.175   5.764
  136   1HB   LYS  19          2HB       LYS  19 -29.185  -0.226   6.983
  137   2HB   LYS  19          1HB       LYS  19 -29.927  -0.548   5.415
  138   1HG   LYS  19          2HG       LYS  19 -27.750  -2.327   5.597
  139   2HG   LYS  19          1HG       LYS  19 -28.528  -2.374   7.179
  140   1HD   LYS  19          2HD       LYS  19 -30.744  -2.516   5.762
  141   2HD   LYS  19          1HD       LYS  19 -29.662  -3.081   4.489
  142   1HE   LYS  19          2HE       LYS  19 -30.048  -5.116   5.467
  143   2HE   LYS  19          1HE       LYS  19 -28.764  -4.586   6.555
  144   1HZ   LYS  19          2HZ       LYS  19 -30.868  -3.449   7.702
  145   2HZ   LYS  19          1HZ       LYS  19 -31.623  -4.811   7.023
  146   3HZ   LYS  19          3HZ       LYS  19 -30.328  -5.010   8.100
  147    H    LEU  20           H        LEU  20 -26.356  -1.557   4.096
  148    HA   LEU  20           HA       LEU  20 -27.235  -0.765   1.389
  149   1HB   LEU  20          2HB       LEU  20 -24.864  -1.061   1.622
  150   2HB   LEU  20          1HB       LEU  20 -25.074  -2.627   2.406
  151    HG   LEU  20           HG       LEU  20 -26.169  -3.442   0.272
  152   1HD1  LEU  20          3HD1      LEU  20 -26.569  -0.981  -0.460
  153   2HD1  LEU  20          2HD1      LEU  20 -24.896  -1.034  -1.018
  154   3HD1  LEU  20          1HD1      LEU  20 -26.087  -2.146  -1.694
  155   1HD2  LEU  20          2HD2      LEU  20 -23.304  -2.464   0.233
  156   2HD2  LEU  20          1HD2      LEU  20 -23.885  -4.069   0.680
  157   3HD2  LEU  20          3HD2      LEU  20 -23.976  -3.535  -0.999
  158    H    PHE  21           H        PHE  21 -28.752  -1.901   0.282
  159    HA   PHE  21           HA       PHE  21 -29.700  -4.464   1.443
  160   1HB   PHE  21          2HB       PHE  21 -30.850  -2.537  -0.584
  161   2HB   PHE  21          1HB       PHE  21 -31.544  -4.136  -0.318
  162    HD1  PHE  21           HD1      PHE  21 -30.271  -1.269   1.756
  163    HD2  PHE  21           HD2      PHE  21 -33.309  -4.251   1.185
  164    HE1  PHE  21           HE1      PHE  21 -31.488  -0.410   3.739
  165    HE2  PHE  21           HE2      PHE  21 -34.525  -3.393   3.168
  166    HZ   PHE  21           HZ       PHE  21 -33.615  -1.471   4.445
  167    H    CYS  22           H        CYS  22 -29.022  -6.352   0.532
  168    HA   CYS  22           HA       CYS  22 -27.814  -6.216  -2.194
  169   1HB   CYS  22          2HB       CYS  22 -26.882  -7.363   0.176
  170   2HB   CYS  22          1HB       CYS  22 -27.451  -8.735  -0.775
  171    HA   PRO  23           HA       PRO  23 -31.912  -8.524  -2.630
  172   1HB   PRO  23          2HB       PRO  23 -32.805  -7.095  -4.741
  173   2HB   PRO  23          1HB       PRO  23 -33.105  -6.617  -3.068
  174   1HG   PRO  23          2HG       PRO  23 -31.032  -5.616  -4.986
  175   2HG   PRO  23          1HG       PRO  23 -32.053  -4.697  -3.875
  176   1HD   PRO  23          1HD       PRO  23 -29.477  -5.276  -3.304
  177   2HD   PRO  23          2HD       PRO  23 -30.717  -5.167  -2.054
  178    H    GLN  24           H        GLN  24 -29.083  -7.944  -4.407
  179    HA   GLN  24           HA       GLN  24 -28.053  -9.317  -6.029
  180   1HB   GLN  24          2HB       GLN  24 -29.614 -11.113  -4.959
  181   2HB   GLN  24          1HB       GLN  24 -30.634 -10.832  -6.370
  182   1HG   GLN  24          2HG       GLN  24 -28.706 -11.319  -7.847
  183   2HG   GLN  24          1HG       GLN  24 -27.707 -11.630  -6.427
  184   1HE2  GLN  24          1HE2      GLN  24 -28.124 -13.697  -8.329
  185   2HE2  GLN  24          2HE2      GLN  24 -29.099 -14.900  -7.633
  186    H    ASP  25           H        ASP  25 -27.896  -7.736  -7.620
  187    HA   ASP  25           HA       ASP  25 -30.094  -6.642  -9.074
  188   1HB   ASP  25          2HB       ASP  25 -27.181  -6.918  -9.875
  189   2HB   ASP  25          1HB       ASP  25 -28.362  -5.906 -10.707
  190    H    LYS  26           H        LYS  26 -30.920  -7.173 -11.147
  191    HA   LYS  26           HA       LYS  26 -31.206  -9.912 -11.768
  192   1HB   LYS  26          2HB       LYS  26 -31.429  -7.523 -13.623
  193   2HB   LYS  26          1HB       LYS  26 -32.046  -9.137 -13.973
  194   1HG   LYS  26          2HG       LYS  26 -33.484  -9.001 -11.951
  195   2HG   LYS  26          1HG       LYS  26 -32.900  -7.362 -11.665
  196   1HD   LYS  26          2HD       LYS  26 -33.762  -6.701 -13.909
  197   2HD   LYS  26          1HD       LYS  26 -34.419  -8.325 -14.108
  198   1HE   LYS  26          2HE       LYS  26 -36.267  -7.166 -13.268
  199   2HE   LYS  26          1HE       LYS  26 -35.569  -7.842 -11.796
  200   1HZ   LYS  26          2HZ       LYS  26 -34.696  -5.199 -12.749
  201   2HZ   LYS  26          1HZ       LYS  26 -36.158  -5.342 -11.895
  202   3HZ   LYS  26          3HZ       LYS  26 -34.703  -5.824 -11.169
  203    H    LYS  27           H        LYS  27 -28.851  -7.545 -12.928
  204    HA   LYS  27           HA       LYS  27 -27.519  -9.704 -14.496
  205   1HB   LYS  27          2HB       LYS  27 -28.122  -7.232 -15.345
  206   2HB   LYS  27          1HB       LYS  27 -26.559  -6.881 -14.606
  207   1HG   LYS  27          2HG       LYS  27 -25.400  -8.133 -16.144
  208   2HG   LYS  27          1HG       LYS  27 -26.704  -9.306 -16.326
  209   1HD   LYS  27          2HD       LYS  27 -27.982  -7.293 -17.432
  210   2HD   LYS  27          1HD       LYS  27 -26.361  -6.634 -17.657
  211   1HE   LYS  27          2HE       LYS  27 -25.793  -8.985 -18.625
  212   2HE   LYS  27          1HE       LYS  27 -27.540  -9.168 -18.784
  213   1HZ   LYS  27          1HZ       LYS  27 -27.188  -6.737 -19.809
  214   2HZ   LYS  27          3HZ       LYS  27 -25.714  -7.452 -20.245
  215   3HZ   LYS  27          2HZ       LYS  27 -27.178  -8.157 -20.740
  216    HA   PRO  28           HA       PRO  28 -24.933  -9.549 -10.678
  217   1HB   PRO  28          2HB       PRO  28 -24.055 -12.095 -10.930
  218   2HB   PRO  28          1HB       PRO  28 -25.594 -11.679 -10.172
  219   1HG   PRO  28          2HG       PRO  28 -25.051 -12.631 -12.961
  220   2HG   PRO  28          1HG       PRO  28 -26.318 -13.143 -11.842
  221   1HD   PRO  28          1HD       PRO  28 -26.811 -11.397 -13.834
  222   2HD   PRO  28          2HD       PRO  28 -27.631 -11.281 -12.276
  223    H    ILE  29           H        ILE  29 -22.695  -9.287 -10.526
  224    HA   ILE  29           HA       ILE  29 -21.157  -9.654 -13.068
  225    HB   ILE  29           HB       ILE  29 -21.665  -7.247 -12.372
  226   1HG1  ILE  29          2HG1      ILE  29 -19.756  -7.983 -13.857
  227   2HG1  ILE  29          1HG1      ILE  29 -19.468  -6.476 -12.989
  228   1HG2  ILE  29          1HG2      ILE  29 -21.355  -7.674  -9.925
  229   2HG2  ILE  29          3HG2      ILE  29 -19.630  -7.892 -10.218
  230   3HG2  ILE  29          2HG2      ILE  29 -20.384  -6.327 -10.518
  231   1HD1  ILE  29          1HD1      ILE  29 -18.556  -8.417 -11.218
  232   2HD1  ILE  29          3HD1      ILE  29 -18.058  -9.033 -12.793
  233   3HD1  ILE  29          2HD1      ILE  29 -17.546  -7.429 -12.272
  234    H    GLN  30           H        GLN  30 -19.101 -10.588 -12.848
  235    HA   GLN  30           HA       GLN  30 -18.624 -12.020 -10.339
  236   1HB   GLN  30          2HB       GLN  30 -18.120 -13.097 -12.495
  237   2HB   GLN  30          1HB       GLN  30 -16.954 -11.829 -12.868
  238   1HG   GLN  30          2HG       GLN  30 -15.591 -12.472 -10.940
  239   2HG   GLN  30          1HG       GLN  30 -16.785 -13.681 -10.470
  240   1HE2  GLN  30          1HE2      GLN  30 -14.450 -14.880 -10.832
  241   2HE2  GLN  30          2HE2      GLN  30 -14.295 -15.610 -12.356
  242    H    SER  31           H        SER  31 -17.542 -11.154  -8.681
  243    HA   SER  31           HA       SER  31 -16.136  -8.615  -8.965
  244   1HB   SER  31          2HB       SER  31 -16.216  -8.524  -6.661
  245   2HB   SER  31          1HB       SER  31 -17.540  -9.658  -6.948
  246    HG   SER  31           HG       SER  31 -15.871 -11.329  -6.767
  247    H    LEU  32           H        LEU  32 -13.922  -8.524  -7.681
  248    HA   LEU  32           HA       LEU  32 -12.199 -10.698  -8.796
  249   1HB   LEU  32          2HB       LEU  32 -10.419  -8.747  -8.430
  250   2HB   LEU  32          1HB       LEU  32 -11.412  -8.810  -9.886
  251    HG   LEU  32           HG       LEU  32 -13.053  -7.288  -8.814
  252   1HD1  LEU  32          2HD1      LEU  32 -11.307  -7.830  -6.501
  253   2HD1  LEU  32          1HD1      LEU  32 -11.726  -6.130  -6.706
  254   3HD1  LEU  32          3HD1      LEU  32 -13.000  -7.338  -6.541
  255   1HD2  LEU  32          1HD2      LEU  32 -10.170  -6.485  -9.105
  256   2HD2  LEU  32          3HD2      LEU  32 -11.543  -6.089 -10.139
  257   3HD2  LEU  32          2HD2      LEU  32 -11.360  -5.296  -8.574
  258    H    ASP  33           H        ASP  33 -13.463  -9.559  -5.941
  259    HA   ASP  33           HA       ASP  33 -11.075  -9.871  -4.276
  260   1HB   ASP  33          2HB       ASP  33 -14.009  -9.455  -3.710
  261   2HB   ASP  33          1HB       ASP  33 -12.867  -9.807  -2.414
  262    H    GLY  34           H        GLY  34 -12.680 -12.090  -5.980
  263   1HA   GLY  34          1HA       GLY  34 -12.035 -14.226  -4.043
  264   2HA   GLY  34          2HA       GLY  34 -12.408 -14.458  -5.751
  265    H    ILE  35           H        ILE  35 -14.699 -12.357  -4.775
  266    HA   ILE  35           HA       ILE  35 -16.522 -14.486  -3.744
  267    HB   ILE  35           HB       ILE  35 -16.840 -11.470  -3.655
  268   1HG1  ILE  35          2HG1      ILE  35 -16.303 -13.337  -1.341
  269   2HG1  ILE  35          1HG1      ILE  35 -14.994 -12.556  -2.228
  270   1HG2  ILE  35          1HG2      ILE  35 -18.605 -13.752  -3.070
  271   2HG2  ILE  35          3HG2      ILE  35 -18.488 -12.584  -1.753
  272   3HG2  ILE  35          2HG2      ILE  35 -19.013 -12.060  -3.353
  273   1HD1  ILE  35          2HD1      ILE  35 -17.216 -10.782  -1.371
  274   2HD1  ILE  35          1HD1      ILE  35 -16.207 -11.431  -0.078
  275   3HD1  ILE  35          3HD1      ILE  35 -15.477 -10.486  -1.376
  276    H    MET  36           H        MET  36 -18.637 -14.661  -4.721
  277    HA   MET  36           HA       MET  36 -18.603 -13.904  -7.582
  278   1HB   MET  36          2HB       MET  36 -20.537 -15.662  -6.043
  279   2HB   MET  36          1HB       MET  36 -20.480 -15.470  -7.795
  280   1HG   MET  36          2HG       MET  36 -18.095 -16.282  -7.727
  281   2HG   MET  36          1HG       MET  36 -18.334 -16.659  -6.020
  282   1HE   MET  36          3HE       MET  36 -20.013 -18.148  -5.072
  283   2HE   MET  36          2HE       MET  36 -21.423 -17.599  -5.975
  284   3HE   MET  36          1HE       MET  36 -21.031 -19.316  -5.925
  285    H    PHE  37           H        PHE  37 -19.295 -11.826  -7.830
  286    HA   PHE  37           HA       PHE  37 -20.753 -10.009  -7.888
  287   1HB   PHE  37          2HB       PHE  37 -23.078 -11.483  -6.823
  288   2HB   PHE  37          1HB       PHE  37 -22.935 -10.490  -8.270
  289    HD1  PHE  37           HD1      PHE  37 -21.789 -11.455 -10.316
  290    HD2  PHE  37           HD2      PHE  37 -22.915 -13.857  -6.945
  291    HE1  PHE  37           HE1      PHE  37 -21.587 -13.488 -11.707
  292    HE2  PHE  37           HE2      PHE  37 -22.725 -15.896  -8.336
  293    HZ   PHE  37           HZ       PHE  37 -22.061 -15.716 -10.720
  294    H    ILE  38           H        ILE  38 -21.750 -11.976  -5.078
  295    HA   ILE  38           HA       ILE  38 -22.689 -10.068  -3.360
  296    HB   ILE  38           HB       ILE  38 -20.729 -12.262  -2.625
  297   1HG1  ILE  38          2HG1      ILE  38 -23.761 -12.208  -2.582
  298   2HG1  ILE  38          1HG1      ILE  38 -22.794 -12.993  -3.831
  299   1HG2  ILE  38          1HG2      ILE  38 -21.043 -10.474  -0.884
  300   2HG2  ILE  38          3HG2      ILE  38 -22.769 -10.834  -0.896
  301   3HG2  ILE  38          2HG2      ILE  38 -21.616 -12.062  -0.375
  302   1HD1  ILE  38          2HD1      ILE  38 -22.680 -13.646  -0.869
  303   2HD1  ILE  38          1HD1      ILE  38 -23.528 -14.602  -2.085
  304   3HD1  ILE  38          3HD1      ILE  38 -21.772 -14.457  -2.145
  305    H    ASN  39           H        ASN  39 -19.346 -10.372  -4.388
  306    HA   ASN  39           HA       ASN  39 -17.991  -8.938  -2.412
  307   1HB   ASN  39          2HB       ASN  39 -17.077  -9.903  -4.628
  308   2HB   ASN  39          1HB       ASN  39 -17.545  -8.357  -5.336
  309   1HD2  ASN  39          1HD2      ASN  39 -15.611  -7.177  -5.524
  310   2HD2  ASN  39          2HD2      ASN  39 -14.488  -6.970  -4.268
  311    H    LYS  40           H        LYS  40 -19.851  -7.601  -5.150
  312    HA   LYS  40           HA       LYS  40 -19.411  -4.902  -4.877
  313   1HB   LYS  40          2HB       LYS  40 -22.057  -6.306  -5.312
  314   2HB   LYS  40          1HB       LYS  40 -21.820  -4.572  -5.534
  315   1HG   LYS  40          2HG       LYS  40 -19.910  -5.174  -7.119
  316   2HG   LYS  40          1HG       LYS  40 -20.505  -6.833  -7.054
  317   1HD   LYS  40          2HD       LYS  40 -22.130  -4.416  -7.901
  318   2HD   LYS  40          1HD       LYS  40 -21.448  -5.621  -8.992
  319   1HE   LYS  40          2HE       LYS  40 -23.590  -6.030  -6.893
  320   2HE   LYS  40          1HE       LYS  40 -23.734  -6.252  -8.637
  321   1HZ   LYS  40          3HZ       LYS  40 -21.715  -7.891  -8.101
  322   2HZ   LYS  40          2HZ       LYS  40 -22.564  -7.999  -6.633
  323   3HZ   LYS  40          1HZ       LYS  40 -23.338  -8.385  -8.095
  324    H    CYS  41           H        CYS  41 -21.706  -6.786  -2.900
  325    HA   CYS  41           HA       CYS  41 -22.422  -4.530  -1.238
  326   1HB   CYS  41          2HB       CYS  41 -22.869  -7.478  -1.178
  327   2HB   CYS  41          1HB       CYS  41 -23.021  -6.610   0.346
  328    H    ALA  42           H        ALA  42 -20.017  -7.120  -0.997
  329    HA   ALA  42           HA       ALA  42 -19.169  -6.376   1.683
  330   1HB   ALA  42          3HB       ALA  42 -17.761  -8.033  -0.430
  331   2HB   ALA  42          1HB       ALA  42 -18.853  -8.661   0.803
  332   3HB   ALA  42          2HB       ALA  42 -17.312  -7.945   1.274
  333    H    THR  43           H        THR  43 -18.332  -5.372  -1.556
  334    HA   THR  43           HA       THR  43 -15.954  -3.911  -0.527
  335    HB   THR  43           HB       THR  43 -15.743  -3.361  -3.061
  336    HG1  THR  43           HG1      THR  43 -17.742  -4.004  -3.744
  337   1HG2  THR  43          1HG2      THR  43 -14.551  -5.174  -1.559
  338   2HG2  THR  43          3HG2      THR  43 -15.510  -6.299  -2.520
  339   3HG2  THR  43          2HG2      THR  43 -14.366  -5.216  -3.312
  340    H    CYS  44           H        CYS  44 -19.108  -3.400  -2.054
  341    HA   CYS  44           HA       CYS  44 -18.834  -0.564  -2.380
  342   1HB   CYS  44          2HB       CYS  44 -20.596  -1.847  -3.534
  343   2HB   CYS  44          1HB       CYS  44 -21.349  -2.213  -1.982
  344    H    LYS  45           H        LYS  45 -19.910  -2.583   0.317
  345    HA   LYS  45           HA       LYS  45 -21.098  -0.621   1.942
  346   1HB   LYS  45          2HB       LYS  45 -20.788  -3.157   2.367
  347   2HB   LYS  45          1HB       LYS  45 -19.234  -2.709   3.070
  348   1HG   LYS  45          2HG       LYS  45 -20.440  -1.113   4.581
  349   2HG   LYS  45          1HG       LYS  45 -21.967  -1.723   3.940
  350   1HD   LYS  45          2HD       LYS  45 -21.431  -3.978   4.725
  351   2HD   LYS  45          1HD       LYS  45 -19.853  -3.430   5.289
  352   1HE   LYS  45          2HE       LYS  45 -21.201  -1.712   6.700
  353   2HE   LYS  45          1HE       LYS  45 -22.580  -2.766   6.388
  354   1HZ   LYS  45          1HZ       LYS  45 -20.435  -4.380   7.126
  355   2HZ   LYS  45          3HZ       LYS  45 -20.500  -3.108   8.246
  356   3HZ   LYS  45          2HZ       LYS  45 -21.866  -4.086   7.993
  357    H    MET  46           H        MET  46 -17.625  -1.494   1.789
  358    HA   MET  46           HA       MET  46 -16.847   0.603   3.622
  359   1HB   MET  46          2HB       MET  46 -15.227  -0.926   1.560
  360   2HB   MET  46          1HB       MET  46 -14.542   0.130   2.794
  361   1HG   MET  46          2HG       MET  46 -16.162  -2.391   3.265
  362   2HG   MET  46          1HG       MET  46 -14.444  -2.167   3.592
  363   1HE   MET  46          1HE       MET  46 -13.476  -0.550   4.892
  364   2HE   MET  46          3HE       MET  46 -14.421   0.926   5.130
  365   3HE   MET  46          2HE       MET  46 -14.018  -0.098   6.506
  366    H    ILE  47           H        ILE  47 -16.838   0.300   0.072
  367    HA   ILE  47           HA       ILE  47 -15.814   2.979  -0.351
  368    HB   ILE  47           HB       ILE  47 -17.398   1.252  -2.276
  369   1HG1  ILE  47          2HG1      ILE  47 -14.391   1.378  -1.939
  370   2HG1  ILE  47          1HG1      ILE  47 -15.390   0.113  -1.224
  371   1HG2  ILE  47          2HG2      ILE  47 -15.663   3.693  -2.506
  372   2HG2  ILE  47          1HG2      ILE  47 -15.735   2.553  -3.850
  373   3HG2  ILE  47          3HG2      ILE  47 -17.206   3.346  -3.287
  374   1HD1  ILE  47          3HD1      ILE  47 -16.135   0.402  -3.975
  375   2HD1  ILE  47          2HD1      ILE  47 -14.380   0.254  -3.889
  376   3HD1  ILE  47          1HD1      ILE  47 -15.406  -0.995  -3.182
  377    H    LEU  48           H        LEU  48 -18.814   1.777   0.658
  378    HA   LEU  48           HA       LEU  48 -20.486   3.818  -0.598
  379   1HB   LEU  48          2HB       LEU  48 -21.366   1.583   0.099
  380   2HB   LEU  48          1HB       LEU  48 -21.073   2.023   1.780
  381    HG   LEU  48           HG       LEU  48 -22.519   4.137   1.173
  382   1HD1  LEU  48          3HD1      LEU  48 -22.520   2.901  -1.290
  383   2HD1  LEU  48          2HD1      LEU  48 -24.053   2.362  -0.606
  384   3HD1  LEU  48          1HD1      LEU  48 -23.714   4.086  -0.761
  385   1HD2  LEU  48          1HD2      LEU  48 -23.055   1.585   2.288
  386   2HD2  LEU  48          3HD2      LEU  48 -23.943   3.084   2.560
  387   3HD2  LEU  48          2HD2      LEU  48 -24.434   1.991   1.266
  388    H    GLU  49           H        GLU  49 -18.780   3.377   2.457
  389    HA   GLU  49           HA       GLU  49 -19.983   5.571   3.862
  390   1HB   GLU  49          2HB       GLU  49 -17.192   4.406   4.121
  391   2HB   GLU  49          1HB       GLU  49 -17.957   5.483   5.289
  392   1HG   GLU  49          2HG       GLU  49 -19.765   3.833   5.625
  393   2HG   GLU  49          1HG       GLU  49 -18.995   2.754   4.461
  394    H    LYS  50           H        LYS  50 -17.515   5.376   1.398
  395    HA   LYS  50           HA       LYS  50 -16.318   7.948   1.781
  396   1HB   LYS  50          2HB       LYS  50 -15.388   6.159   0.303
  397   2HB   LYS  50          1HB       LYS  50 -16.716   6.441  -0.823
  398   1HG   LYS  50          2HG       LYS  50 -15.990   8.818  -1.030
  399   2HG   LYS  50          1HG       LYS  50 -14.618   8.464   0.020
  400   1HD   LYS  50          2HD       LYS  50 -13.932   6.673  -1.622
  401   2HD   LYS  50          1HD       LYS  50 -15.197   7.260  -2.701
  402   1HE   LYS  50          2HE       LYS  50 -14.072   9.212  -3.180
  403   2HE   LYS  50          1HE       LYS  50 -13.303   9.281  -1.595
  404   1HZ   LYS  50          2HZ       LYS  50 -12.062   7.202  -2.400
  405   2HZ   LYS  50          1HZ       LYS  50 -12.533   7.695  -3.957
  406   3HZ   LYS  50          3HZ       LYS  50 -11.576   8.716  -2.999
  407    H    GLU  51           H        GLU  51 -19.184   6.878  -0.012
  408    HA   GLU  51           HA       GLU  51 -19.764   9.280  -1.389
  409   1HB   GLU  51          2HB       GLU  51 -20.991   7.124  -1.697
  410   2HB   GLU  51          1HB       GLU  51 -21.765   7.376  -0.132
  411   1HG   GLU  51          2HG       GLU  51 -22.671   9.546  -0.979
  412   2HG   GLU  51          1HG       GLU  51 -21.979   9.183  -2.560
  413    H    ALA  52           H        ALA  52 -20.321   8.360   1.973
  414    HA   ALA  52           HA       ALA  52 -22.053  10.508   2.695
  415   1HB   ALA  52          1HB       ALA  52 -20.153   9.808   4.794
  416   2HB   ALA  52          3HB       ALA  52 -21.899   9.568   4.745
  417   3HB   ALA  52          2HB       ALA  52 -20.825   8.374   4.018
  418    H    LYS  53           H        LYS  53 -18.601  10.361   2.150
  419    HA   LYS  53           HA       LYS  53 -17.763  12.683   3.534
  420   1HB   LYS  53          2HB       LYS  53 -16.796  11.581   0.878
  421   2HB   LYS  53          1HB       LYS  53 -15.945  12.799   1.829
  422   1HG   LYS  53          2HG       LYS  53 -15.857  11.189   3.736
  423   2HG   LYS  53          1HG       LYS  53 -16.605   9.970   2.705
  424   1HD   LYS  53          2HD       LYS  53 -14.706  10.230   1.099
  425   2HD   LYS  53          1HD       LYS  53 -13.942  11.343   2.233
  426   1HE   LYS  53          2HE       LYS  53 -14.813   8.653   3.227
  427   2HE   LYS  53          1HE       LYS  53 -13.338   8.761   2.266
  428   1HZ   LYS  53          2HZ       LYS  53 -13.842  10.529   4.584
  429   2HZ   LYS  53          1HZ       LYS  53 -13.092   9.014   4.752
  430   3HZ   LYS  53          3HZ       LYS  53 -12.367  10.216   3.801
  431    H    SER  54           H        SER  54 -19.415  12.320   0.435
  432    HA   SER  54           HA       SER  54 -19.088  14.948  -0.566
  433   1HB   SER  54          2HB       SER  54 -21.576  13.231  -0.795
  434   2HB   SER  54          1HB       SER  54 -21.090  14.531  -1.884
  435    HG   SER  54           HG       SER  54 -20.486  12.539  -2.741
  436    H    GLN  55           H        GLN  55 -21.273  13.674   1.887
  437    HA   GLN  55           HA       GLN  55 -22.884  14.771   3.218
  438   1HB   GLN  55          2HB       GLN  55 -20.649  16.819   3.112
  439   2HB   GLN  55          1HB       GLN  55 -21.969  16.834   4.281
  440   1HG   GLN  55          2HG       GLN  55 -21.283  14.640   5.126
  441   2HG   GLN  55          1HG       GLN  55 -20.007  14.550   3.912
  442   1HE2  GLN  55          1HE2      GLN  55 -19.394  14.450   6.709
  443   2HE2  GLN  55          2HE2      GLN  55 -18.553  15.865   7.125

  No H/Q in entry =         443
  Start of MODEL   16
    1    H1   LYS   1          3H        LYS   1   0.673  16.464   5.927
    2    H2   LYS   1          2H        LYS   1   0.376  17.782   6.957
    3    H3   LYS   1          1H        LYS   1   1.912  17.574   6.260
    4    HA   LYS   1           HA       LYS   1   2.086  16.872   8.501
    5   1HB   LYS   1          2HB       LYS   1  -0.365  15.207   7.852
    6   2HB   LYS   1          1HB       LYS   1   0.566  15.070   9.344
    7   1HG   LYS   1          2HG       LYS   1   0.142  17.501   9.771
    8   2HG   LYS   1          1HG       LYS   1  -0.897  17.533   8.346
    9   1HD   LYS   1          2HD       LYS   1  -2.285  15.724   9.382
   10   2HD   LYS   1          1HD       LYS   1  -1.294  15.846  10.835
   11   1HE   LYS   1          2HE       LYS   1  -3.206  17.220  11.242
   12   2HE   LYS   1          1HE       LYS   1  -1.892  18.333  10.862
   13   1HZ   LYS   1          3HZ       LYS   1  -3.840  17.329   8.862
   14   2HZ   LYS   1          2HZ       LYS   1  -4.001  18.809   9.680
   15   3HZ   LYS   1          1HZ       LYS   1  -2.682  18.548   8.641
   16    H    ASN   2           H        ASN   2   0.824  14.294   6.352
   17    HA   ASN   2           HA       ASN   2   3.489  12.966   6.604
   18   1HB   ASN   2          2HB       ASN   2   0.772  11.822   5.887
   19   2HB   ASN   2          1HB       ASN   2   2.274  10.898   5.917
   20   1HD2  ASN   2          1HD2      ASN   2   0.088  10.243   7.658
   21   2HD2  ASN   2          2HD2      ASN   2   0.559  10.574   9.255
   22    H    GLU   3           H        GLU   3   4.746  12.933   4.802
   23    HA   GLU   3           HA       GLU   3   4.281  14.286   2.440
   24   1HB   GLU   3          2HB       GLU   3   6.436  13.171   3.078
   25   2HB   GLU   3          1HB       GLU   3   5.733  11.628   2.593
   26   1HG   GLU   3          2HG       GLU   3   5.337  12.570   0.315
   27   2HG   GLU   3          1HG       GLU   3   6.154  14.051   0.817
   28    H    ASP   4           H        ASP   4   3.091  11.092   3.320
   29    HA   ASP   4           HA       ASP   4   2.221  10.207   0.771
   30   1HB   ASP   4          2HB       ASP   4   0.921   9.765   3.476
   31   2HB   ASP   4          1HB       ASP   4   0.586   8.827   2.021
   32    H    GLN   5           H        GLN   5   0.782  12.474   3.053
   33    HA   GLN   5           HA       GLN   5  -1.799  12.676   1.864
   34   1HB   GLN   5          2HB       GLN   5  -1.106  13.679   4.072
   35   2HB   GLN   5          1HB       GLN   5  -0.239  14.923   3.171
   36   1HG   GLN   5          2HG       GLN   5  -2.382  15.503   2.012
   37   2HG   GLN   5          1HG       GLN   5  -3.214  14.346   3.050
   38   1HE2  GLN   5          1HE2      GLN   5  -4.162  15.342   4.826
   39   2HE2  GLN   5          2HE2      GLN   5  -3.559  16.718   5.616
   40    H    GLU   6           H        GLU   6   1.294  14.176   1.052
   41    HA   GLU   6           HA       GLU   6   0.333  16.121  -0.792
   42   1HB   GLU   6          2HB       GLU   6   2.933  14.558  -0.781
   43   2HB   GLU   6          1HB       GLU   6   2.620  15.966  -1.796
   44   1HG   GLU   6          2HG       GLU   6   2.162  17.299   0.265
   45   2HG   GLU   6          1HG       GLU   6   2.600  15.894   1.236
   46    H    MET   7           H        MET   7   1.117  12.682  -1.202
   47    HA   MET   7           HA       MET   7   0.879  12.541  -4.025
   48   1HB   MET   7          2HB       MET   7   0.185  10.502  -1.891
   49   2HB   MET   7          1HB       MET   7   0.233  10.139  -3.616
   50   1HG   MET   7          2HG       MET   7   2.605  10.916  -3.674
   51   2HG   MET   7          1HG       MET   7   2.541  11.153  -1.927
   52   1HE   MET   7          1HE       MET   7   1.196   9.542  -0.642
   53   2HE   MET   7          3HE       MET   7   0.612   8.012  -1.311
   54   3HE   MET   7          2HE       MET   7   2.047   8.040  -0.289
   55    H    CYS   8           H        CYS   8  -1.552  12.798  -1.518
   56    HA   CYS   8           HA       CYS   8  -3.787  12.024  -3.189
   57   1HB   CYS   8          2HB       CYS   8  -3.895  11.955  -0.716
   58   2HB   CYS   8          1HB       CYS   8  -3.727  13.709  -0.667
   59    H    HIS   9           H        HIS   9  -2.080  15.027  -2.532
   60    HA   HIS   9           HA       HIS   9  -3.907  16.941  -3.435
   61   1HB   HIS   9          2HB       HIS   9  -1.810  17.731  -2.635
   62   2HB   HIS   9          1HB       HIS   9  -0.910  16.736  -3.777
   63    HD1  HIS   9           HD1      HIS   9  -1.442  17.391  -6.420
   64    HD2  HIS   9           HD2      HIS   9  -2.188  20.314  -3.544
   65    HE1  HIS   9           HE1      HIS   9  -1.557  19.597  -7.656
   66    H    GLU  10           H        GLU  10  -1.596  15.094  -5.458
   67    HA   GLU  10           HA       GLU  10  -2.382  16.077  -7.968
   68   1HB   GLU  10          2HB       GLU  10  -1.522  13.269  -7.211
   69   2HB   GLU  10          1HB       GLU  10  -1.624  13.866  -8.868
   70   1HG   GLU  10          2HG       GLU  10  -0.031  15.702  -8.239
   71   2HG   GLU  10          1HG       GLU  10   0.151  14.943  -6.657
   72    H    PHE  11           H        PHE  11  -3.786  13.340  -6.141
   73    HA   PHE  11           HA       PHE  11  -5.812  12.810  -8.140
   74   1HB   PHE  11          2HB       PHE  11  -5.042  11.742  -5.544
   75   2HB   PHE  11          1HB       PHE  11  -6.794  11.874  -5.695
   76    HD1  PHE  11           HD1      PHE  11  -7.554  11.287  -8.301
   77    HD2  PHE  11           HD2      PHE  11  -4.216   9.648  -6.152
   78    HE1  PHE  11           HE1      PHE  11  -7.584   9.294  -9.771
   79    HE2  PHE  11           HE2      PHE  11  -4.245   7.656  -7.626
   80    HZ   PHE  11           HZ       PHE  11  -5.930   7.478  -9.436
   81    H    GLN  12           H        GLN  12  -5.525  15.053  -5.495
   82    HA   GLN  12           HA       GLN  12  -8.337  15.578  -5.140
   83   1HB   GLN  12          2HB       GLN  12  -6.567  16.267  -3.511
   84   2HB   GLN  12          1HB       GLN  12  -6.001  17.460  -4.680
   85   1HG   GLN  12          2HG       GLN  12  -8.261  18.501  -4.670
   86   2HG   GLN  12          1HG       GLN  12  -8.769  17.342  -3.441
   87   1HE2  GLN  12          1HE2      GLN  12  -8.954  19.942  -2.630
   88   2HE2  GLN  12          2HE2      GLN  12  -7.683  20.360  -1.585
   89    H    ALA  13           H        ALA  13  -5.885  16.752  -7.375
   90    HA   ALA  13           HA       ALA  13  -7.508  18.922  -8.422
   91   1HB   ALA  13          3HB       ALA  13  -5.685  19.398  -9.718
   92   2HB   ALA  13          2HB       ALA  13  -4.866  18.291  -8.616
   93   3HB   ALA  13          1HB       ALA  13  -5.448  17.711 -10.177
   94    H    PHE  14           H        PHE  14  -7.209  15.500  -9.041
   95    HA   PHE  14           HA       PHE  14  -8.623  15.631 -11.607
   96   1HB   PHE  14          2HB       PHE  14  -8.056  13.213  -9.865
   97   2HB   PHE  14          1HB       PHE  14  -8.496  13.204 -11.573
   98    HD1  PHE  14           HD1      PHE  14  -6.820  15.702 -12.298
   99    HD2  PHE  14           HD2      PHE  14  -5.908  12.105 -10.133
  100    HE1  PHE  14           HE1      PHE  14  -4.430  15.935 -12.917
  101    HE2  PHE  14           HE2      PHE  14  -3.518  12.339 -10.752
  102    HZ   PHE  14           HZ       PHE  14  -2.779  14.254 -12.144
  103    H    MET  15           H        MET  15  -9.665  16.268  -8.618
  104    HA   MET  15           HA       MET  15 -12.052  14.581  -8.511
  105   1HB   MET  15          2HB       MET  15 -10.704  16.466  -6.780
  106   2HB   MET  15          1HB       MET  15 -12.422  16.851  -6.876
  107   1HG   MET  15          2HG       MET  15 -12.914  14.424  -6.406
  108   2HG   MET  15          1HG       MET  15 -11.189  14.185  -6.126
  109   1HE   MET  15          3HE       MET  15 -14.380  15.650  -5.350
  110   2HE   MET  15          2HE       MET  15 -14.344  14.556  -3.969
  111   3HE   MET  15          1HE       MET  15 -14.341  16.298  -3.705
  112    H    LYS  16           H        LYS  16 -14.159  15.224  -9.087
  113    HA   LYS  16           HA       LYS  16 -14.546  17.954 -10.172
  114   1HB   LYS  16          2HB       LYS  16 -13.774  16.433 -12.051
  115   2HB   LYS  16          1HB       LYS  16 -15.251  15.502 -11.806
  116   1HG   LYS  16          2HG       LYS  16 -16.574  17.595 -12.174
  117   2HG   LYS  16          1HG       LYS  16 -15.071  18.439 -12.546
  118   1HD   LYS  16          2HD       LYS  16 -14.647  16.789 -14.374
  119   2HD   LYS  16          1HD       LYS  16 -16.217  16.059 -14.039
  120   1HE   LYS  16          2HE       LYS  16 -17.047  18.573 -14.307
  121   2HE   LYS  16          1HE       LYS  16 -15.576  18.709 -15.271
  122   1HZ   LYS  16          3HZ       LYS  16 -17.406  16.448 -15.709
  123   2HZ   LYS  16          2HZ       LYS  16 -17.769  17.963 -16.385
  124   3HZ   LYS  16          1HZ       LYS  16 -16.320  17.174 -16.791
  125    H    ASN  17           H        ASN  17 -16.671  18.653  -9.932
  126    HA   ASN  17           HA       ASN  17 -18.807  18.659  -8.947
  127   1HB   ASN  17          2HB       ASN  17 -18.841  15.910 -10.234
  128   2HB   ASN  17          1HB       ASN  17 -20.262  16.793  -9.678
  129   1HD2  ASN  17          1HD2      ASN  17 -19.106  15.997 -12.506
  130   2HD2  ASN  17          2HD2      ASN  17 -19.254  17.441 -13.386
  131    H    GLY  18           H        GLY  18 -16.514  17.552  -7.365
  132   1HA   GLY  18          1HA       GLY  18 -18.115  16.431  -5.192
  133   2HA   GLY  18          2HA       GLY  18 -16.382  16.762  -5.138
  134    H    LYS  19           H        LYS  19 -16.261  15.196  -7.811
  135    HA   LYS  19           HA       LYS  19 -16.324  12.477  -6.561
  136   1HB   LYS  19          2HB       LYS  19 -17.990  12.943  -8.456
  137   2HB   LYS  19          1HB       LYS  19 -16.588  13.035  -9.521
  138   1HG   LYS  19          2HG       LYS  19 -16.081  10.718  -8.139
  139   2HG   LYS  19          1HG       LYS  19 -17.840  10.681  -8.257
  140   1HD   LYS  19          2HD       LYS  19 -17.452  11.292 -10.760
  141   2HD   LYS  19          1HD       LYS  19 -15.801  10.739 -10.476
  142   1HE   LYS  19          2HE       LYS  19 -17.775   8.890  -9.378
  143   2HE   LYS  19          1HE       LYS  19 -17.985   9.125 -11.113
  144   1HZ   LYS  19          1HZ       LYS  19 -15.274   8.918 -10.730
  145   2HZ   LYS  19          3HZ       LYS  19 -15.937   7.725  -9.724
  146   3HZ   LYS  19          2HZ       LYS  19 -16.300   7.732 -11.384
  147    H    LEU  20           H        LEU  20 -14.438  11.287  -6.722
  148    HA   LEU  20           HA       LEU  20 -12.077  12.710  -7.783
  149   1HB   LEU  20          2HB       LEU  20 -11.717  11.707  -5.640
  150   2HB   LEU  20          1HB       LEU  20 -12.438  10.183  -6.153
  151    HG   LEU  20           HG       LEU  20 -10.549  10.017  -7.868
  152   1HD1  LEU  20          1HD1      LEU  20  -9.946  12.583  -6.607
  153   2HD1  LEU  20          3HD1      LEU  20  -8.569  11.479  -6.574
  154   3HD1  LEU  20          2HD1      LEU  20  -9.328  11.901  -8.112
  155   1HD2  LEU  20          1HD2      LEU  20 -10.665   8.843  -5.601
  156   2HD2  LEU  20          3HD2      LEU  20  -9.057   9.024  -6.302
  157   3HD2  LEU  20          2HD2      LEU  20  -9.581  10.101  -5.008
  158    H    PHE  21           H        PHE  21 -11.348  12.317  -9.816
  159    HA   PHE  21           HA       PHE  21 -12.460  10.069 -11.349
  160   1HB   PHE  21          2HB       PHE  21 -10.535  12.304 -12.040
  161   2HB   PHE  21          1HB       PHE  21 -10.963  11.028 -13.178
  162    HD1  PHE  21           HD1      PHE  21 -13.853  10.633 -12.405
  163    HD2  PHE  21           HD2      PHE  21 -11.549  14.203 -13.036
  164    HE1  PHE  21           HE1      PHE  21 -15.921  11.863 -12.995
  165    HE2  PHE  21           HE2      PHE  21 -13.617  15.431 -13.628
  166    HZ   PHE  21           HZ       PHE  21 -15.804  14.263 -13.609
  167    H    CYS  22           H        CYS  22 -11.495   8.101 -11.359
  168    HA   CYS  22           HA       CYS  22  -8.636   7.951 -10.519
  169   1HB   CYS  22          2HB       CYS  22 -10.589   6.700  -9.298
  170   2HB   CYS  22          1HB       CYS  22 -10.471   5.577 -10.652
  171    HA   PRO  23           HA       PRO  23  -8.857   6.795 -15.105
  172   1HB   PRO  23          2HB       PRO  23  -6.946   8.517 -15.929
  173   2HB   PRO  23          1HB       PRO  23  -8.654   8.955 -15.838
  174   1HG   PRO  23          2HG       PRO  23  -6.441   9.534 -13.903
  175   2HG   PRO  23          1HG       PRO  23  -7.722  10.605 -14.478
  176   1HD   PRO  23          2HD       PRO  23  -7.852   9.385 -12.070
  177   2HD   PRO  23          1HD       PRO  23  -9.292   9.718 -13.034
  178    H    GLN  24           H        GLN  24  -6.968   5.931 -16.389
  179    HA   GLN  24           HA       GLN  24  -5.019   4.673 -14.538
  180   1HB   GLN  24          2HB       GLN  24  -5.782   4.110 -17.415
  181   2HB   GLN  24          1HB       GLN  24  -4.473   3.274 -16.580
  182   1HG   GLN  24          2HG       GLN  24  -6.081   2.545 -14.832
  183   2HG   GLN  24          1HG       GLN  24  -7.382   3.338 -15.720
  184   1HE2  GLN  24          1HE2      GLN  24  -7.532   0.553 -15.283
  185   2HE2  GLN  24          2HE2      GLN  24  -7.297  -0.261 -16.754
  186    H    ASP  25           H        ASP  25  -3.192   5.866 -14.249
  187    HA   ASP  25           HA       ASP  25  -2.243   7.738 -16.275
  188   1HB   ASP  25          2HB       ASP  25  -1.968   8.127 -13.819
  189   2HB   ASP  25          1HB       ASP  25  -0.848   6.766 -13.764
  190    H    LYS  26           H        LYS  26  -0.884   7.239 -17.928
  191    HA   LYS  26           HA       LYS  26   0.023   4.577 -18.420
  192   1HB   LYS  26          2HB       LYS  26   1.005   7.219 -19.541
  193   2HB   LYS  26          1HB       LYS  26   1.450   5.637 -20.181
  194   1HG   LYS  26          2HG       LYS  26  -0.969   5.150 -20.555
  195   2HG   LYS  26          1HG       LYS  26  -1.354   6.783 -20.011
  196   1HD   LYS  26          2HD       LYS  26   0.093   7.691 -21.827
  197   2HD   LYS  26          1HD       LYS  26   0.369   6.046 -22.397
  198   1HE   LYS  26          2HE       LYS  26  -1.530   6.184 -23.599
  199   2HE   LYS  26          1HE       LYS  26  -2.437   6.342 -22.094
  200   1HZ   LYS  26          3HZ       LYS  26  -1.128   8.610 -23.488
  201   2HZ   LYS  26          2HZ       LYS  26  -2.767   8.202 -23.671
  202   3HZ   LYS  26          1HZ       LYS  26  -2.176   8.695 -22.157
  203    H    LYS  27           H        LYS  27   1.494   7.306 -16.761
  204    HA   LYS  27           HA       LYS  27   4.128   6.045 -16.605
  205   1HB   LYS  27          2HB       LYS  27   2.878   8.492 -15.351
  206   2HB   LYS  27          1HB       LYS  27   4.476   7.924 -14.864
  207   1HG   LYS  27          2HG       LYS  27   5.338   8.184 -17.090
  208   2HG   LYS  27          1HG       LYS  27   3.725   8.448 -17.750
  209   1HD   LYS  27          2HD       LYS  27   5.075  10.271 -15.736
  210   2HD   LYS  27          1HD       LYS  27   5.018  10.571 -17.473
  211   1HE   LYS  27          2HE       LYS  27   2.404  10.169 -17.068
  212   2HE   LYS  27          1HE       LYS  27   2.829  10.719 -15.447
  213   1HZ   LYS  27          2HZ       LYS  27   4.089  12.552 -16.790
  214   2HZ   LYS  27          1HZ       LYS  27   2.954  12.163 -17.994
  215   3HZ   LYS  27          3HZ       LYS  27   2.426  12.698 -16.474
  216    HA   PRO  28           HA       PRO  28   2.908   3.408 -13.183
  217   1HB   PRO  28          2HB       PRO  28   5.362   2.381 -12.708
  218   2HB   PRO  28          1HB       PRO  28   4.343   1.856 -14.051
  219   1HG   PRO  28          2HG       PRO  28   6.642   3.774 -14.049
  220   2HG   PRO  28          1HG       PRO  28   6.255   2.503 -15.213
  221   1HD   PRO  28          1HD       PRO  28   5.695   5.111 -15.679
  222   2HD   PRO  28          2HD       PRO  28   4.691   3.803 -16.306
  223    H    ILE  29           H        ILE  29   2.780   3.844 -11.024
  224    HA   ILE  29           HA       ILE  29   4.844   5.664  -9.854
  225    HB   ILE  29           HB       ILE  29   1.878   5.726  -9.755
  226   1HG1  ILE  29          2HG1      ILE  29   3.423   7.437 -10.803
  227   2HG1  ILE  29          1HG1      ILE  29   2.259   8.094  -9.652
  228   1HG2  ILE  29          2HG2      ILE  29   2.461   5.059  -7.409
  229   2HG2  ILE  29          1HG2      ILE  29   3.493   6.484  -7.302
  230   3HG2  ILE  29          3HG2      ILE  29   1.750   6.670  -7.512
  231   1HD1  ILE  29          2HD1      ILE  29   4.568   7.281  -8.184
  232   2HD1  ILE  29          1HD1      ILE  29   5.117   8.241  -9.559
  233   3HD1  ILE  29          3HD1      ILE  29   3.952   8.918  -8.420
  234    H    GLN  30           H        GLN  30   5.991   4.731  -8.236
  235    HA   GLN  30           HA       GLN  30   5.053   2.144  -7.161
  236   1HB   GLN  30          2HB       GLN  30   7.388   2.255  -7.801
  237   2HB   GLN  30          1HB       GLN  30   7.641   3.683  -6.797
  238   1HG   GLN  30          2HG       GLN  30   7.236   2.411  -4.778
  239   2HG   GLN  30          1HG       GLN  30   6.739   0.999  -5.712
  240   1HE2  GLN  30          1HE2      GLN  30   8.641   0.058  -4.301
  241   2HE2  GLN  30          2HE2      GLN  30  10.192   0.148  -4.985
  242    H    SER  31           H        SER  31   3.404   2.647  -5.725
  243    HA   SER  31           HA       SER  31   3.684   4.829  -3.805
  244   1HB   SER  31          2HB       SER  31   1.461   4.526  -3.472
  245   2HB   SER  31          1HB       SER  31   1.547   3.471  -4.884
  246    HG   SER  31           HG       SER  31   1.873   1.723  -3.495
  247    H    LEU  32           H        LEU  32   3.268   4.241  -1.385
  248    HA   LEU  32           HA       LEU  32   5.250   2.137  -0.679
  249   1HB   LEU  32          2HB       LEU  32   5.205   3.308   1.572
  250   2HB   LEU  32          1HB       LEU  32   5.797   4.290   0.232
  251    HG   LEU  32           HG       LEU  32   2.894   4.455   0.512
  252   1HD1  LEU  32          1HD1      LEU  32   4.634   5.348   2.832
  253   2HD1  LEU  32          3HD1      LEU  32   2.947   5.808   2.603
  254   3HD1  LEU  32          2HD1      LEU  32   3.370   4.119   2.890
  255   1HD2  LEU  32          1HD2      LEU  32   5.169   6.460   0.558
  256   2HD2  LEU  32          3HD2      LEU  32   4.186   6.014  -0.836
  257   3HD2  LEU  32          2HD2      LEU  32   3.461   6.897   0.508
  258    H    ASP  33           H        ASP  33   1.909   2.502  -0.810
  259    HA   ASP  33           HA       ASP  33   1.317   1.002   1.645
  260   1HB   ASP  33          2HB       ASP  33  -0.357   1.965  -0.675
  261   2HB   ASP  33          1HB       ASP  33  -1.024   0.951   0.603
  262    H    GLY  34           H        GLY  34   2.842   0.016  -0.980
  263   1HA   GLY  34          1HA       GLY  34   1.770  -2.726  -0.756
  264   2HA   GLY  34          2HA       GLY  34   3.260  -2.262  -1.580
  265    H    ILE  35           H        ILE  35   1.172  -0.028  -2.647
  266    HA   ILE  35           HA       ILE  35   0.188  -1.753  -4.886
  267    HB   ILE  35           HB       ILE  35  -0.970   0.915  -4.042
  268   1HG1  ILE  35          2HG1      ILE  35  -2.102  -1.806  -3.368
  269   2HG1  ILE  35          1HG1      ILE  35  -1.075  -0.910  -2.248
  270   1HG2  ILE  35          3HG2      ILE  35  -1.924  -1.358  -5.803
  271   2HG2  ILE  35          2HG2      ILE  35  -2.943  -0.005  -5.308
  272   3HG2  ILE  35          1HG2      ILE  35  -1.520   0.282  -6.310
  273   1HD1  ILE  35          3HD1      ILE  35  -3.104   0.846  -3.308
  274   2HD1  ILE  35          2HD1      ILE  35  -3.866  -0.602  -2.650
  275   3HD1  ILE  35          1HD1      ILE  35  -2.815   0.382  -1.631
  276    H    MET  36           H        MET  36   0.216  -0.714  -7.025
  277    HA   MET  36           HA       MET  36   2.476   1.227  -7.244
  278   1HB   MET  36          2HB       MET  36   1.296  -0.746  -9.219
  279   2HB   MET  36          1HB       MET  36   2.512   0.455  -9.655
  280   1HG   MET  36          2HG       MET  36   3.988  -0.483  -7.848
  281   2HG   MET  36          1HG       MET  36   2.799  -1.763  -7.608
  282   1HE   MET  36          2HE       MET  36   4.914  -2.828  -7.675
  283   2HE   MET  36          1HE       MET  36   4.650  -4.122  -8.842
  284   3HE   MET  36          3HE       MET  36   6.011  -3.010  -9.042
  285    H    PHE  37           H        PHE  37   1.693   3.281  -7.370
  286    HA   PHE  37           HA       PHE  37   0.521   5.124  -8.211
  287   1HB   PHE  37          2HB       PHE  37   1.068   4.221 -10.420
  288   2HB   PHE  37          1HB       PHE  37  -0.325   3.149 -10.339
  289    HD1  PHE  37           HD1      PHE  37  -2.643   4.117 -10.231
  290    HD2  PHE  37           HD2      PHE  37   0.821   6.532 -11.023
  291    HE1  PHE  37           HE1      PHE  37  -4.100   5.925 -11.102
  292    HE2  PHE  37           HE2      PHE  37  -0.635   8.339 -11.889
  293    HZ   PHE  37           HZ       PHE  37  -3.097   8.036 -11.931
  294    H    ILE  38           H        ILE  38  -1.561   2.267  -8.745
  295    HA   ILE  38           HA       ILE  38  -4.043   3.412  -8.329
  296    HB   ILE  38           HB       ILE  38  -3.084   0.753  -7.228
  297   1HG1  ILE  38          2HG1      ILE  38  -2.775   0.849  -9.617
  298   2HG1  ILE  38          1HG1      ILE  38  -4.236  -0.090  -9.316
  299   1HG2  ILE  38          3HG2      ILE  38  -5.425   2.039  -6.590
  300   2HG2  ILE  38          2HG2      ILE  38  -5.907   1.104  -8.005
  301   3HG2  ILE  38          1HG2      ILE  38  -5.221   0.288  -6.600
  302   1HD1  ILE  38          2HD1      ILE  38  -5.234   2.466  -9.449
  303   2HD1  ILE  38          1HD1      ILE  38  -3.924   2.531 -10.628
  304   3HD1  ILE  38          3HD1      ILE  38  -5.207   1.333 -10.800
  305    H    ASN  39           H        ASN  39  -1.517   2.911  -5.969
  306    HA   ASN  39           HA       ASN  39  -3.015   3.107  -3.574
  307   1HB   ASN  39          2HB       ASN  39  -0.489   2.688  -3.848
  308   2HB   ASN  39          1HB       ASN  39  -0.333   4.440  -3.959
  309   1HD2  ASN  39          1HD2      ASN  39   0.569   4.923  -1.898
  310   2HD2  ASN  39          2HD2      ASN  39  -0.182   4.525  -0.430
  311    H    LYS  40           H        LYS  40  -1.353   5.776  -5.312
  312    HA   LYS  40           HA       LYS  40  -2.202   7.935  -3.836
  313   1HB   LYS  40          2HB       LYS  40  -2.184   7.752  -6.862
  314   2HB   LYS  40          1HB       LYS  40  -2.237   9.258  -5.944
  315   1HG   LYS  40          2HG       LYS  40  -0.096   8.555  -4.816
  316   2HG   LYS  40          1HG       LYS  40  -0.020   7.191  -5.931
  317   1HD   LYS  40          2HD       LYS  40  -0.063   8.781  -7.842
  318   2HD   LYS  40          1HD       LYS  40  -0.067  10.126  -6.701
  319   1HE   LYS  40          2HE       LYS  40   2.057   8.140  -6.217
  320   2HE   LYS  40          1HE       LYS  40   2.200   8.989  -7.756
  321   1HZ   LYS  40          3HZ       LYS  40   1.490  10.800  -5.707
  322   2HZ   LYS  40          2HZ       LYS  40   2.877   9.934  -5.244
  323   3HZ   LYS  40          1HZ       LYS  40   2.862  10.804  -6.703
  324    H    CYS  41           H        CYS  41  -4.132   6.103  -6.150
  325    HA   CYS  41           HA       CYS  41  -6.482   7.815  -5.832
  326   1HB   CYS  41          2HB       CYS  41  -5.769   6.214  -7.816
  327   2HB   CYS  41          1HB       CYS  41  -6.614   5.004  -6.861
  328    H    ALA  42           H        ALA  42  -5.370   4.676  -4.631
  329    HA   ALA  42           HA       ALA  42  -7.796   4.138  -3.130
  330   1HB   ALA  42          1HB       ALA  42  -5.233   2.831  -3.626
  331   2HB   ALA  42          2HB       ALA  42  -6.812   2.117  -3.301
  332   3HB   ALA  42          3HB       ALA  42  -5.784   2.631  -1.963
  333    H    THR  43           H        THR  43  -4.896   5.968  -2.515
  334    HA   THR  43           HA       THR  43  -5.513   6.032   0.396
  335    HB   THR  43           HB       THR  43  -3.321   7.319   0.495
  336    HG1  THR  43           HG1      THR  43  -2.944   8.030  -1.488
  337   1HG2  THR  43          1HG2      THR  43  -3.418   4.513  -0.631
  338   2HG2  THR  43          3HG2      THR  43  -1.943   5.255  -0.012
  339   3HG2  THR  43          2HG2      THR  43  -3.314   4.986   1.065
  340    H    CYS  44           H        CYS  44  -5.050   8.199  -2.395
  341    HA   CYS  44           HA       CYS  44  -5.569  10.632  -1.040
  342   1HB   CYS  44          2HB       CYS  44  -4.728  10.439  -3.396
  343   2HB   CYS  44          1HB       CYS  44  -6.348   9.953  -3.892
  344    H    LYS  45           H        LYS  45  -7.790   8.228  -2.416
  345    HA   LYS  45           HA       LYS  45 -10.186   9.727  -2.236
  346   1HB   LYS  45          2HB       LYS  45  -9.951   7.439  -3.260
  347   2HB   LYS  45          1HB       LYS  45  -9.901   6.771  -1.628
  348   1HG   LYS  45          2HG       LYS  45 -12.112   7.857  -1.174
  349   2HG   LYS  45          1HG       LYS  45 -12.168   8.361  -2.863
  350   1HD   LYS  45          2HD       LYS  45 -11.963   5.961  -3.537
  351   2HD   LYS  45          1HD       LYS  45 -12.052   5.510  -1.834
  352   1HE   LYS  45          2HE       LYS  45 -14.175   7.120  -3.281
  353   2HE   LYS  45          1HE       LYS  45 -14.264   5.379  -3.017
  354   1HZ   LYS  45          1HZ       LYS  45 -13.846   7.268  -0.783
  355   2HZ   LYS  45          3HZ       LYS  45 -15.402   6.874  -1.331
  356   3HZ   LYS  45          2HZ       LYS  45 -14.385   5.658  -0.721
  357    H    MET  46           H        MET  46  -8.408   7.957   0.262
  358    HA   MET  46           HA       MET  46 -10.464   8.478   2.283
  359   1HB   MET  46          2HB       MET  46  -7.634   7.403   2.499
  360   2HB   MET  46          1HB       MET  46  -8.760   7.520   3.852
  361   1HG   MET  46          2HG       MET  46  -9.154   5.899   1.317
  362   2HG   MET  46          1HG       MET  46  -8.838   5.259   2.930
  363   1HE   MET  46          2HE       MET  46 -10.264   5.458   4.898
  364   2HE   MET  46          1HE       MET  46 -10.575   7.190   4.802
  365   3HE   MET  46          3HE       MET  46 -11.920   6.054   4.977
  366    H    ILE  47           H        ILE  47  -7.339   9.811   1.306
  367    HA   ILE  47           HA       ILE  47  -7.253  11.714   3.520
  368    HB   ILE  47           HB       ILE  47  -5.695  11.775   0.917
  369   1HG1  ILE  47          2HG1      ILE  47  -5.340   9.610   1.931
  370   2HG1  ILE  47          1HG1      ILE  47  -3.928  10.602   2.290
  371   1HG2  ILE  47          2HG2      ILE  47  -5.847  13.590   3.042
  372   2HG2  ILE  47          1HG2      ILE  47  -4.374  12.670   3.353
  373   3HG2  ILE  47          3HG2      ILE  47  -4.578  13.517   1.819
  374   1HD1  ILE  47          2HD1      ILE  47  -5.507  11.215   4.417
  375   2HD1  ILE  47          1HD1      ILE  47  -6.019   9.556   4.112
  376   3HD1  ILE  47          3HD1      ILE  47  -4.321   9.909   4.433
  377    H    LEU  48           H        LEU  48  -8.819  11.537   0.470
  378    HA   LEU  48           HA       LEU  48  -8.981  14.375  -0.086
  379   1HB   LEU  48          2HB       LEU  48  -9.531  12.231  -1.585
  380   2HB   LEU  48          1HB       LEU  48 -11.149  12.499  -0.946
  381    HG   LEU  48           HG       LEU  48 -11.158  13.789  -2.899
  382   1HD1  LEU  48          2HD1      LEU  48 -11.798  15.155  -0.927
  383   2HD1  LEU  48          1HD1      LEU  48 -10.127  15.699  -0.779
  384   3HD1  LEU  48          3HD1      LEU  48 -11.076  16.139  -2.199
  385   1HD2  LEU  48          3HD2      LEU  48  -8.322  13.738  -2.524
  386   2HD2  LEU  48          2HD2      LEU  48  -9.225  14.193  -3.970
  387   3HD2  LEU  48          1HD2      LEU  48  -8.819  15.413  -2.762
  388    H    GLU  49           H        GLU  49 -11.086  12.030   1.568
  389    HA   GLU  49           HA       GLU  49 -13.240  13.818   2.114
  390   1HB   GLU  49          2HB       GLU  49 -12.271  11.490   3.801
  391   2HB   GLU  49          1HB       GLU  49 -13.872  12.227   3.869
  392   1HG   GLU  49          2HG       GLU  49 -14.281  11.582   1.530
  393   2HG   GLU  49          1HG       GLU  49 -12.668  10.875   1.433
  394    H    LYS  50           H        LYS  50 -10.204  13.192   3.829
  395    HA   LYS  50           HA       LYS  50 -10.720  14.575   6.230
  396   1HB   LYS  50          2HB       LYS  50  -8.163  14.388   4.612
  397   2HB   LYS  50          1HB       LYS  50  -8.243  15.027   6.254
  398   1HG   LYS  50          2HG       LYS  50  -9.273  12.848   6.977
  399   2HG   LYS  50          1HG       LYS  50  -8.973  12.226   5.354
  400   1HD   LYS  50          2HD       LYS  50  -6.546  12.742   5.653
  401   2HD   LYS  50          1HD       LYS  50  -6.887  13.233   7.312
  402   1HE   LYS  50          2HE       LYS  50  -6.105  10.769   6.824
  403   2HE   LYS  50          1HE       LYS  50  -7.395  11.057   7.991
  404   1HZ   LYS  50          2HZ       LYS  50  -7.895  10.516   5.120
  405   2HZ   LYS  50          1HZ       LYS  50  -7.860   9.296   6.302
  406   3HZ   LYS  50          3HZ       LYS  50  -9.027  10.524   6.388
  407    H    GLU  51           H        GLU  51  -9.809  15.833   3.043
  408    HA   GLU  51           HA       GLU  51  -9.376  18.544   3.849
  409   1HB   GLU  51          2HB       GLU  51 -10.362  17.430   1.204
  410   2HB   GLU  51          1HB       GLU  51  -9.806  19.085   1.455
  411   1HG   GLU  51          2HG       GLU  51  -7.599  18.225   2.177
  412   2HG   GLU  51          1HG       GLU  51  -8.157  16.576   1.897
  413    H    ALA  52           H        ALA  52 -12.296  16.731   3.043
  414    HA   ALA  52           HA       ALA  52 -14.073  18.972   2.861
  415   1HB   ALA  52          2HB       ALA  52 -15.310  17.203   2.175
  416   2HB   ALA  52          3HB       ALA  52 -15.604  16.896   3.886
  417   3HB   ALA  52          1HB       ALA  52 -14.296  16.057   3.052
  418    H    LYS  53           H        LYS  53 -12.708  17.224   5.573
  419    HA   LYS  53           HA       LYS  53 -14.543  18.094   7.589
  420   1HB   LYS  53          2HB       LYS  53 -12.834  16.296   7.906
  421   2HB   LYS  53          1HB       LYS  53 -11.577  17.532   7.892
  422   1HG   LYS  53          2HG       LYS  53 -12.691  18.640   9.827
  423   2HG   LYS  53          1HG       LYS  53 -13.872  17.331   9.867
  424   1HD   LYS  53          2HD       LYS  53 -11.968  15.713  10.151
  425   2HD   LYS  53          1HD       LYS  53 -10.879  17.093  10.289
  426   1HE   LYS  53          2HE       LYS  53 -13.097  17.534  12.040
  427   2HE   LYS  53          1HE       LYS  53 -12.484  15.907  12.333
  428   1HZ   LYS  53          3HZ       LYS  53 -10.605  18.155  12.076
  429   2HZ   LYS  53          2HZ       LYS  53 -11.420  17.905  13.545
  430   3HZ   LYS  53          1HZ       LYS  53 -10.417  16.690  12.910
  431    H    SER  54           H        SER  54 -11.736  19.620   6.095
  432    HA   SER  54           HA       SER  54 -11.406  21.758   7.958
  433   1HB   SER  54          2HB       SER  54  -9.799  21.176   6.119
  434   2HB   SER  54          1HB       SER  54 -10.944  21.854   4.962
  435    HG   SER  54           HG       SER  54 -10.152  23.367   7.183
  436    H    GLN  55           H        GLN  55 -13.733  21.212   5.401
  437    HA   GLN  55           HA       GLN  55 -14.689  23.997   5.477
  438   1HB   GLN  55          2HB       GLN  55 -15.703  21.529   4.036
  439   2HB   GLN  55          1HB       GLN  55 -16.425  23.131   3.881
  440   1HG   GLN  55          2HG       GLN  55 -14.279  24.025   3.060
  441   2HG   GLN  55          1HG       GLN  55 -13.544  22.430   3.231
  442   1HE2  GLN  55          1HE2      GLN  55 -13.660  23.713   0.680
  443   2HE2  GLN  55          2HE2      GLN  55 -14.729  22.847  -0.314

  No H/Q in entry =         443
  Start of MODEL   17
    1    H1   LYS   1          3H        LYS   1 -29.713   5.284  -3.978
    2    H2   LYS   1          2H        LYS   1 -31.223   4.555  -3.700
    3    H3   LYS   1          1H        LYS   1 -29.837   3.979  -2.902
    4    HA   LYS   1           HA       LYS   1 -29.401   2.582  -4.543
    5   1HB   LYS   1          2HB       LYS   1 -31.111   2.191  -6.216
    6   2HB   LYS   1          1HB       LYS   1 -31.914   2.598  -4.700
    7   1HG   LYS   1          2HG       LYS   1 -31.926   5.023  -5.539
    8   2HG   LYS   1          1HG       LYS   1 -31.491   4.365  -7.116
    9   1HD   LYS   1          2HD       LYS   1 -33.508   2.818  -6.879
   10   2HD   LYS   1          1HD       LYS   1 -33.989   3.807  -5.500
   11   1HE   LYS   1          2HE       LYS   1 -33.589   5.789  -7.232
   12   2HE   LYS   1          1HE       LYS   1 -33.905   4.513  -8.408
   13   1HZ   LYS   1          2HZ       LYS   1 -35.839   4.121  -6.569
   14   2HZ   LYS   1          1HZ       LYS   1 -35.709   5.815  -6.583
   15   3HZ   LYS   1          3HZ       LYS   1 -36.038   4.979  -8.022
   16    H    ASN   2           H        ASN   2 -29.954   3.037  -7.431
   17    HA   ASN   2           HA       ASN   2 -27.531   4.033  -8.326
   18   1HB   ASN   2          2HB       ASN   2 -30.213   4.436  -9.688
   19   2HB   ASN   2          1HB       ASN   2 -28.637   4.515 -10.475
   20   1HD2  ASN   2          1HD2      ASN   2 -27.351   2.296  -9.240
   21   2HD2  ASN   2          2HD2      ASN   2 -28.157   0.872  -9.694
   22    H    GLU   3           H        GLU   3 -30.406   5.896  -7.435
   23    HA   GLU   3           HA       GLU   3 -29.620   8.438  -8.385
   24   1HB   GLU   3          2HB       GLU   3 -31.841   7.854  -7.337
   25   2HB   GLU   3          1HB       GLU   3 -31.045   7.900  -5.764
   26   1HG   GLU   3          2HG       GLU   3 -30.354  10.246  -6.207
   27   2HG   GLU   3          1HG       GLU   3 -31.216  10.192  -7.745
   28    H    ASP   4           H        ASP   4 -28.640   6.684  -5.474
   29    HA   ASP   4           HA       ASP   4 -27.350   8.757  -4.070
   30   1HB   ASP   4          2HB       ASP   4 -27.659   6.311  -3.362
   31   2HB   ASP   4          1HB       ASP   4 -26.215   5.965  -4.317
   32    H    GLN   5           H        GLN   5 -26.299   6.958  -6.907
   33    HA   GLN   5           HA       GLN   5 -23.560   7.745  -6.911
   34   1HB   GLN   5          2HB       GLN   5 -25.441   7.133  -9.210
   35   2HB   GLN   5          1HB       GLN   5 -23.696   7.325  -9.384
   36   1HG   GLN   5          2HG       GLN   5 -23.332   5.475  -7.791
   37   2HG   GLN   5          1HG       GLN   5 -25.076   5.285  -7.611
   38   1HE2  GLN   5          1HE2      GLN   5 -23.500   3.125  -8.590
   39   2HE2  GLN   5          2HE2      GLN   5 -23.871   2.873 -10.227
   40    H    GLU   6           H        GLU   6 -26.474   9.367  -8.121
   41    HA   GLU   6           HA       GLU   6 -25.143  11.495  -9.491
   42   1HB   GLU   6          2HB       GLU   6 -27.853  11.426  -8.130
   43   2HB   GLU   6          1HB       GLU   6 -27.307  12.715  -9.203
   44   1HG   GLU   6          2HG       GLU   6 -27.556   9.786  -9.956
   45   2HG   GLU   6          1HG       GLU   6 -28.679  11.063 -10.426
   46    H    MET   7           H        MET   7 -26.217  11.152  -6.118
   47    HA   MET   7           HA       MET   7 -25.547  13.819  -5.308
   48   1HB   MET   7          2HB       MET   7 -25.742  11.224  -3.758
   49   2HB   MET   7          1HB       MET   7 -25.469  12.789  -2.994
   50   1HG   MET   7          2HG       MET   7 -27.564  13.640  -3.977
   51   2HG   MET   7          1HG       MET   7 -27.835  12.081  -4.756
   52   1HE   MET   7          1HE       MET   7 -30.009  11.521  -3.886
   53   2HE   MET   7          3HE       MET   7 -30.561  11.661  -2.212
   54   3HE   MET   7          2HE       MET   7 -30.157  13.107  -3.133
   55    H    CYS   8           H        CYS   8 -23.613  11.003  -5.929
   56    HA   CYS   8           HA       CYS   8 -21.326  11.825  -4.345
   57   1HB   CYS   8          2HB       CYS   8 -21.536   9.917  -6.693
   58   2HB   CYS   8          1HB       CYS   8 -20.117  10.095  -5.660
   59    H    HIS   9           H        HIS   9 -22.419  12.402  -7.642
   60    HA   HIS   9           HA       HIS   9 -20.084  13.349  -8.853
   61   1HB   HIS   9          2HB       HIS   9 -22.009  13.298 -10.222
   62   2HB   HIS   9          1HB       HIS   9 -22.968  14.215  -9.062
   63    HD1  HIS   9           HD1      HIS   9 -21.958  16.778  -8.653
   64    HD2  HIS   9           HD2      HIS   9 -21.016  14.893 -12.249
   65    HE1  HIS   9           HE1      HIS   9 -21.232  18.603 -10.247
   66    H    GLU  10           H        GLU  10 -22.321  15.164  -6.741
   67    HA   GLU  10           HA       GLU  10 -20.804  17.604  -6.810
   68   1HB   GLU  10          2HB       GLU  10 -22.784  16.545  -4.775
   69   2HB   GLU  10          1HB       GLU  10 -22.139  18.186  -4.770
   70   1HG   GLU  10          2HG       GLU  10 -23.021  18.498  -7.085
   71   2HG   GLU  10          1HG       GLU  10 -23.747  16.893  -6.993
   72    H    PHE  11           H        PHE  11 -20.756  14.797  -4.610
   73    HA   PHE  11           HA       PHE  11 -18.893  16.019  -2.768
   74   1HB   PHE  11          2HB       PHE  11 -20.361  13.585  -2.915
   75   2HB   PHE  11          1HB       PHE  11 -18.660  13.157  -2.733
   76    HD1  PHE  11           HD1      PHE  11 -17.797  15.685  -1.249
   77    HD2  PHE  11           HD2      PHE  11 -21.126  13.025  -0.690
   78    HE1  PHE  11           HE1      PHE  11 -17.901  16.314   1.145
   79    HE2  PHE  11           HE2      PHE  11 -21.229  13.660   1.700
   80    HZ   PHE  11           HZ       PHE  11 -19.618  15.303   2.620
   81    H    GLN  12           H        GLN  12 -18.535  14.686  -5.892
   82    HA   GLN  12           HA       GLN  12 -15.864  13.633  -5.664
   83   1HB   GLN  12          2HB       GLN  12 -17.471  14.718  -7.986
   84   2HB   GLN  12          1HB       GLN  12 -15.819  14.134  -8.184
   85   1HG   GLN  12          2HG       GLN  12 -16.455  11.941  -7.308
   86   2HG   GLN  12          1HG       GLN  12 -18.093  12.516  -6.995
   87   1HE2  GLN  12          1HE2      GLN  12 -17.875  10.331  -8.688
   88   2HE2  GLN  12          2HE2      GLN  12 -18.170  10.792 -10.295
   89    H    ALA  13           H        ALA  13 -17.160  16.867  -6.344
   90    HA   ALA  13           HA       ALA  13 -14.748  18.154  -7.077
   91   1HB   ALA  13          2HB       ALA  13 -17.153  19.189  -5.550
   92   2HB   ALA  13          1HB       ALA  13 -15.843  20.226  -6.114
   93   3HB   ALA  13          3HB       ALA  13 -16.835  19.347  -7.277
   94    H    PHE  14           H        PHE  14 -16.069  17.389  -3.877
   95    HA   PHE  14           HA       PHE  14 -13.853  18.721  -2.497
   96   1HB   PHE  14          2HB       PHE  14 -16.003  16.837  -1.476
   97   2HB   PHE  14          1HB       PHE  14 -14.868  17.724  -0.459
   98    HD1  PHE  14           HD1      PHE  14 -14.936  20.216  -0.380
   99    HD2  PHE  14           HD2      PHE  14 -17.890  17.923  -2.495
  100    HE1  PHE  14           HE1      PHE  14 -16.427  22.196  -0.445
  101    HE2  PHE  14           HE2      PHE  14 -19.380  19.904  -2.560
  102    HZ   PHE  14           HZ       PHE  14 -18.649  22.041  -1.535
  103    H    MET  15           H        MET  15 -13.965  15.990  -4.299
  104    HA   MET  15           HA       MET  15 -12.521  14.181  -2.514
  105   1HB   MET  15          2HB       MET  15 -14.031  13.441  -4.415
  106   2HB   MET  15          1HB       MET  15 -12.780  13.999  -5.526
  107   1HG   MET  15          2HG       MET  15 -11.154  12.502  -4.310
  108   2HG   MET  15          1HG       MET  15 -12.519  11.843  -3.411
  109   1HE   MET  15          3HE       MET  15 -11.882  13.106  -6.970
  110   2HE   MET  15          2HE       MET  15 -10.564  11.955  -6.767
  111   3HE   MET  15          1HE       MET  15 -11.830  11.634  -7.950
  112    H    LYS  16           H        LYS  16 -10.290  13.674  -2.664
  113    HA   LYS  16           HA       LYS  16  -8.593  15.151  -4.557
  114   1HB   LYS  16          2HB       LYS  16  -9.020  16.731  -2.626
  115   2HB   LYS  16          1HB       LYS  16  -8.216  15.563  -1.578
  116   1HG   LYS  16          2HG       LYS  16  -6.188  15.709  -2.999
  117   2HG   LYS  16          1HG       LYS  16  -6.992  16.918  -4.000
  118   1HD   LYS  16          2HD       LYS  16  -7.255  18.366  -1.994
  119   2HD   LYS  16          1HD       LYS  16  -6.378  17.171  -1.040
  120   1HE   LYS  16          2HE       LYS  16  -4.371  17.501  -2.309
  121   2HE   LYS  16          1HE       LYS  16  -5.224  18.442  -3.533
  122   1HZ   LYS  16          2HZ       LYS  16  -5.534  19.484  -0.876
  123   2HZ   LYS  16          1HZ       LYS  16  -3.916  19.464  -1.393
  124   3HZ   LYS  16          3HZ       LYS  16  -5.087  20.281  -2.309
  125    H    ASN  17           H        ASN  17  -6.623  14.087  -4.856
  126    HA   ASN  17           HA       ASN  17  -5.188  12.222  -4.807
  127   1HB   ASN  17          2HB       ASN  17  -4.813  13.541  -2.548
  128   2HB   ASN  17          1HB       ASN  17  -5.568  12.117  -1.832
  129   1HD2  ASN  17          1HD2      ASN  17  -2.989  12.388  -1.077
  130   2HD2  ASN  17          2HD2      ASN  17  -1.959  11.342  -1.929
  131    H    GLY  18           H        GLY  18  -8.129  11.732  -4.953
  132   1HA   GLY  18          1HA       GLY  18  -8.029   8.856  -4.464
  133   2HA   GLY  18          2HA       GLY  18  -9.392   9.742  -5.149
  134    H    LYS  19           H        LYS  19  -8.923  11.594  -2.645
  135    HA   LYS  19           HA       LYS  19 -10.396   9.836  -0.722
  136   1HB   LYS  19          2HB       LYS  19  -8.103  10.734  -0.033
  137   2HB   LYS  19          1HB       LYS  19  -8.842  12.335  -0.024
  138   1HG   LYS  19          2HG       LYS  19 -10.664  10.862   1.417
  139   2HG   LYS  19          1HG       LYS  19  -9.138  10.117   1.895
  140   1HD   LYS  19          2HD       LYS  19  -8.307  12.571   2.194
  141   2HD   LYS  19          1HD       LYS  19 -10.023  12.979   2.218
  142   1HE   LYS  19          2HE       LYS  19  -9.896  10.805   3.922
  143   2HE   LYS  19          1HE       LYS  19  -8.388  11.652   4.265
  144   1HZ   LYS  19          2HZ       LYS  19 -10.866  13.207   4.047
  145   2HZ   LYS  19          1HZ       LYS  19 -10.585  12.318   5.467
  146   3HZ   LYS  19          3HZ       LYS  19  -9.479  13.509   4.982
  147    H    LEU  20           H        LEU  20 -12.275  10.704   0.243
  148    HA   LEU  20           HA       LEU  20 -13.416  13.035  -1.203
  149   1HB   LEU  20          2HB       LEU  20 -14.797  11.021  -1.148
  150   2HB   LEU  20          1HB       LEU  20 -14.692  10.966   0.611
  151    HG   LEU  20           HG       LEU  20 -15.812  13.188   0.716
  152   1HD1  LEU  20          1HD1      LEU  20 -15.110  13.282  -1.997
  153   2HD1  LEU  20          3HD1      LEU  20 -16.866  13.115  -1.993
  154   3HD1  LEU  20          2HD1      LEU  20 -16.104  14.452  -1.130
  155   1HD2  LEU  20          2HD2      LEU  20 -17.238  10.990  -0.809
  156   2HD2  LEU  20          1HD2      LEU  20 -17.201  11.217   0.940
  157   3HD2  LEU  20          3HD2      LEU  20 -18.058  12.371  -0.081
  158    H    PHE  21           H        PHE  21 -13.393  14.996  -0.209
  159    HA   PHE  21           HA       PHE  21 -12.687  15.153   2.645
  160   1HB   PHE  21          2HB       PHE  21 -13.090  17.231   0.484
  161   2HB   PHE  21          1HB       PHE  21 -12.792  17.661   2.168
  162    HD1  PHE  21           HD1      PHE  21 -10.899  15.466   2.942
  163    HD2  PHE  21           HD2      PHE  21 -11.087  17.905  -0.591
  164    HE1  PHE  21           HE1      PHE  21  -8.469  15.140   2.587
  165    HE2  PHE  21           HE2      PHE  21  -8.653  17.580  -0.942
  166    HZ   PHE  21           HZ       PHE  21  -7.345  16.198   0.647
  167    H    CYS  22           H        CYS  22 -14.343  14.853   4.049
  168    HA   CYS  22           HA       CYS  22 -17.087  15.618   3.328
  169   1HB   CYS  22          2HB       CYS  22 -16.017  14.550   5.957
  170   2HB   CYS  22          1HB       CYS  22 -17.706  14.597   5.449
  171    HA   PRO  23           HA       PRO  23 -16.328  19.726   5.064
  172   1HB   PRO  23          2HB       PRO  23 -18.746  20.732   4.402
  173   2HB   PRO  23          1HB       PRO  23 -17.425  20.566   3.242
  174   1HG   PRO  23          2HG       PRO  23 -19.798  18.793   3.684
  175   2HG   PRO  23          1HG       PRO  23 -19.083  19.334   2.162
  176   1HD   PRO  23          2HD       PRO  23 -18.613  16.871   3.183
  177   2HD   PRO  23          1HD       PRO  23 -17.408  17.744   2.236
  178    H    GLN  24           H        GLN  24 -16.842  20.584   7.065
  179    HA   GLN  24           HA       GLN  24 -18.295  19.010   8.956
  180   1HB   GLN  24          2HB       GLN  24 -17.548  21.949   9.057
  181   2HB   GLN  24          1HB       GLN  24 -18.099  20.997  10.435
  182   1HG   GLN  24          2HG       GLN  24 -16.175  19.517  10.239
  183   2HG   GLN  24          1HG       GLN  24 -15.654  20.335   8.766
  184   1HE2  GLN  24          1HE2      GLN  24 -13.959  20.196  11.079
  185   2HE2  GLN  24          2HE2      GLN  24 -13.781  21.764  11.704
  186    H    ASP  25           H        ASP  25 -19.271  21.593   6.793
  187    HA   ASP  25           HA       ASP  25 -21.723  22.330   8.022
  188   1HB   ASP  25          2HB       ASP  25 -20.959  22.203   5.090
  189   2HB   ASP  25          1HB       ASP  25 -22.430  22.965   5.694
  190    H    LYS  26           H        LYS  26 -23.843  21.504   7.789
  191    HA   LYS  26           HA       LYS  26 -24.026  18.801   6.518
  192   1HB   LYS  26          2HB       LYS  26 -23.992  18.709   9.028
  193   2HB   LYS  26          1HB       LYS  26 -25.455  19.694   9.040
  194   1HG   LYS  26          2HG       LYS  26 -26.613  17.965   7.692
  195   2HG   LYS  26          1HG       LYS  26 -25.153  16.976   7.724
  196   1HD   LYS  26          2HD       LYS  26 -25.271  16.965  10.223
  197   2HD   LYS  26          1HD       LYS  26 -26.801  17.838  10.121
  198   1HE   LYS  26          2HE       LYS  26 -27.860  15.866   9.880
  199   2HE   LYS  26          1HE       LYS  26 -27.015  15.639   8.349
  200   1HZ   LYS  26          3HZ       LYS  26 -25.089  14.870   9.848
  201   2HZ   LYS  26          2HZ       LYS  26 -26.291  14.656  11.029
  202   3HZ   LYS  26          1HZ       LYS  26 -26.376  13.804   9.562
  203    H    LYS  27           H        LYS  27 -25.786  18.517   5.186
  204    HA   LYS  27           HA       LYS  27 -27.714  20.799   5.028
  205   1HB   LYS  27          2HB       LYS  27 -26.447  19.038   2.968
  206   2HB   LYS  27          1HB       LYS  27 -28.084  19.620   2.665
  207   1HG   LYS  27          2HG       LYS  27 -26.975  21.433   1.812
  208   2HG   LYS  27          1HG       LYS  27 -26.921  21.919   3.507
  209   1HD   LYS  27          2HD       LYS  27 -24.673  22.105   2.831
  210   2HD   LYS  27          1HD       LYS  27 -24.727  20.517   3.598
  211   1HE   LYS  27          2HE       LYS  27 -23.620  20.073   1.574
  212   2HE   LYS  27          1HE       LYS  27 -25.291  19.649   1.201
  213   1HZ   LYS  27          1HZ       LYS  27 -24.522  22.423   0.775
  214   2HZ   LYS  27          3HZ       LYS  27 -23.857  21.287  -0.295
  215   3HZ   LYS  27          2HZ       LYS  27 -25.543  21.423  -0.144
  216    HA   PRO  28           HA       PRO  28 -31.036  18.080   6.117
  217   1HB   PRO  28          2HB       PRO  28 -33.056  19.086   4.626
  218   2HB   PRO  28          1HB       PRO  28 -32.416  19.902   6.054
  219   1HG   PRO  28          2HG       PRO  28 -31.836  20.410   3.160
  220   2HG   PRO  28          1HG       PRO  28 -32.129  21.574   4.457
  221   1HD   PRO  28          2HD       PRO  28 -29.637  20.998   3.581
  222   2HD   PRO  28          1HD       PRO  28 -29.968  21.416   5.262
  223    H    ILE  29           H        ILE  29 -29.651  16.432   4.697
  224    HA   ILE  29           HA       ILE  29 -31.383  15.572   2.415
  225    HB   ILE  29           HB       ILE  29 -28.463  15.836   2.680
  226   1HG1  ILE  29          2HG1      ILE  29 -30.030  16.935   1.007
  227   2HG1  ILE  29          1HG1      ILE  29 -28.602  16.163   0.317
  228   1HG2  ILE  29          3HG2      ILE  29 -28.695  13.339   2.851
  229   2HG2  ILE  29          2HG2      ILE  29 -29.557  13.355   1.314
  230   3HG2  ILE  29          1HG2      ILE  29 -27.868  13.857   1.383
  231   1HD1  ILE  29          1HD1      ILE  29 -30.679  14.198   0.544
  232   2HD1  ILE  29          3HD1      ILE  29 -31.338  15.620  -0.268
  233   3HD1  ILE  29          2HD1      ILE  29 -29.911  14.814  -0.920
  234    H    GLN  30           H        GLN  30 -32.547  13.801   2.957
  235    HA   GLN  30           HA       GLN  30 -31.698  12.130   5.224
  236   1HB   GLN  30          2HB       GLN  30 -34.104  11.969   3.381
  237   2HB   GLN  30          1HB       GLN  30 -33.834  10.915   4.770
  238   1HG   GLN  30          2HG       GLN  30 -33.744  12.932   6.236
  239   2HG   GLN  30          1HG       GLN  30 -34.128  13.934   4.836
  240   1HE2  GLN  30          1HE2      GLN  30 -35.875  13.815   7.108
  241   2HE2  GLN  30          2HE2      GLN  30 -37.316  13.053   6.634
  242    H    SER  31           H        SER  31 -29.990  10.829   4.659
  243    HA   SER  31           HA       SER  31 -29.789   9.655   1.995
  244   1HB   SER  31          2HB       SER  31 -27.657   9.124   2.587
  245   2HB   SER  31          1HB       SER  31 -27.953  10.288   3.880
  246    HG   SER  31           HG       SER  31 -28.538   8.584   5.225
  247    H    LEU  32           H        LEU  32 -28.875   7.112   2.456
  248    HA   LEU  32           HA       LEU  32 -31.340   5.741   3.444
  249   1HB   LEU  32          2HB       LEU  32 -29.324   4.769   1.397
  250   2HB   LEU  32          1HB       LEU  32 -30.834   3.975   1.834
  251    HG   LEU  32           HG       LEU  32 -32.051   6.054   1.062
  252   1HD1  LEU  32          1HD1      LEU  32 -29.225   6.826   0.491
  253   2HD1  LEU  32          3HD1      LEU  32 -30.440   7.282  -0.702
  254   3HD1  LEU  32          2HD1      LEU  32 -30.590   7.837   0.965
  255   1HD2  LEU  32          1HD2      LEU  32 -31.591   3.940  -0.328
  256   2HD2  LEU  32          3HD2      LEU  32 -32.007   5.401  -1.225
  257   3HD2  LEU  32          2HD2      LEU  32 -30.325   4.879  -1.121
  258    H    ASP  33           H        ASP  33 -27.960   6.096   3.945
  259    HA   ASP  33           HA       ASP  33 -27.532   3.449   5.101
  260   1HB   ASP  33          2HB       ASP  33 -25.700   4.843   4.096
  261   2HB   ASP  33          1HB       ASP  33 -25.862   5.954   5.456
  262    H    GLY  34           H        GLY  34 -29.463   5.825   6.159
  263   1HA   GLY  34          1HA       GLY  34 -29.152   4.979   8.969
  264   2HA   GLY  34          2HA       GLY  34 -30.502   5.907   8.311
  265    H    ILE  35           H        ILE  35 -28.202   7.551   6.941
  266    HA   ILE  35           HA       ILE  35 -27.633   9.244   9.344
  267    HB   ILE  35           HB       ILE  35 -25.947   9.212   6.838
  268   1HG1  ILE  35          2HG1      ILE  35 -25.454   7.586   9.348
  269   2HG1  ILE  35          1HG1      ILE  35 -26.092   6.908   7.849
  270   1HG2  ILE  35          3HG2      ILE  35 -25.508  10.068   9.713
  271   2HG2  ILE  35          2HG2      ILE  35 -24.237  10.035   8.491
  272   3HG2  ILE  35          1HG2      ILE  35 -25.617  11.117   8.300
  273   1HD1  ILE  35          3HD1      ILE  35 -24.051   7.820   6.671
  274   2HD1  ILE  35          2HD1      ILE  35 -23.402   8.246   8.254
  275   3HD1  ILE  35          1HD1      ILE  35 -23.700   6.556   7.849
  276    H    MET  36           H        MET  36 -27.384  11.605   8.765
  277    HA   MET  36           HA       MET  36 -29.404  12.310   6.687
  278   1HB   MET  36          2HB       MET  36 -28.354  13.841   9.085
  279   2HB   MET  36          1HB       MET  36 -29.455  14.526   7.889
  280   1HG   MET  36          2HG       MET  36 -31.038  12.627   8.371
  281   2HG   MET  36          1HG       MET  36 -29.971  12.142   9.688
  282   1HE   MET  36          3HE       MET  36 -28.810  14.531  10.824
  283   2HE   MET  36          2HE       MET  36 -29.924  15.177  12.027
  284   3HE   MET  36          1HE       MET  36 -29.652  13.439  11.932
  285    H    PHE  37           H        PHE  37 -28.305  12.620   4.787
  286    HA   PHE  37           HA       PHE  37 -26.900  13.682   3.245
  287   1HB   PHE  37          2HB       PHE  37 -27.576  15.772   4.296
  288   2HB   PHE  37          1HB       PHE  37 -26.394  15.538   5.579
  289    HD1  PHE  37           HD1      PHE  37 -26.822  16.225   1.964
  290    HD2  PHE  37           HD2      PHE  37 -24.044  15.947   5.228
  291    HE1  PHE  37           HE1      PHE  37 -25.080  17.298   0.570
  292    HE2  PHE  37           HE2      PHE  37 -22.299  17.021   3.832
  293    HZ   PHE  37           HZ       PHE  37 -22.816  17.697   1.502
  294    H    ILE  38           H        ILE  38 -25.253  13.785   6.417
  295    HA   ILE  38           HA       ILE  38 -22.621  13.550   5.681
  296    HB   ILE  38           HB       ILE  38 -23.996  11.920   7.839
  297   1HG1  ILE  38          2HG1      ILE  38 -24.394  14.262   8.204
  298   2HG1  ILE  38          1HG1      ILE  38 -23.079  13.799   9.284
  299   1HG2  ILE  38          2HG2      ILE  38 -21.355  11.756   6.876
  300   2HG2  ILE  38          1HG2      ILE  38 -21.256  12.706   8.358
  301   3HG2  ILE  38          3HG2      ILE  38 -21.972  11.095   8.390
  302   1HD1  ILE  38          3HD1      ILE  38 -21.453  14.599   7.547
  303   2HD1  ILE  38          2HD1      ILE  38 -22.820  15.190   6.602
  304   3HD1  ILE  38          1HD1      ILE  38 -22.478  15.883   8.187
  305    H    ASN  39           H        ASN  39 -25.102  11.105   5.301
  306    HA   ASN  39           HA       ASN  39 -23.477   8.822   4.857
  307   1HB   ASN  39          2HB       ASN  39 -26.052   8.981   4.975
  308   2HB   ASN  39          1HB       ASN  39 -25.966   9.416   3.268
  309   1HD2  ASN  39          1HD2      ASN  39 -26.928   7.401   2.512
  310   2HD2  ASN  39          2HD2      ASN  39 -26.101   5.923   2.633
  311    H    LYS  40           H        LYS  40 -24.592  11.332   2.566
  312    HA   LYS  40           HA       LYS  40 -23.675  10.328   0.169
  313   1HB   LYS  40          2HB       LYS  40 -23.289  13.167   1.163
  314   2HB   LYS  40          1HB       LYS  40 -23.194  12.663  -0.525
  315   1HG   LYS  40          2HG       LYS  40 -25.519  11.952  -0.494
  316   2HG   LYS  40          1HG       LYS  40 -25.634  12.281   1.235
  317   1HD   LYS  40          2HD       LYS  40 -26.609  14.153   0.027
  318   2HD   LYS  40          1HD       LYS  40 -25.091  14.684   0.750
  319   1HE   LYS  40          2HE       LYS  40 -24.274  13.696  -1.697
  320   2HE   LYS  40          1HE       LYS  40 -25.827  14.436  -2.084
  321   1HZ   LYS  40          3HZ       LYS  40 -24.036  15.951  -0.355
  322   2HZ   LYS  40          2HZ       LYS  40 -23.583  15.812  -1.986
  323   3HZ   LYS  40          1HZ       LYS  40 -25.084  16.493  -1.574
  324    H    CYS  41           H        CYS  41 -21.697  11.967   2.618
  325    HA   CYS  41           HA       CYS  41 -19.222  11.558   1.142
  326   1HB   CYS  41          2HB       CYS  41 -19.928  13.238   3.141
  327   2HB   CYS  41          1HB       CYS  41 -19.147  11.972   4.079
  328    H    ALA  42           H        ALA  42 -20.951   9.900   3.731
  329    HA   ALA  42           HA       ALA  42 -18.794   8.023   4.271
  330   1HB   ALA  42          2HB       ALA  42 -20.688   8.708   5.863
  331   2HB   ALA  42          3HB       ALA  42 -20.299   6.989   5.790
  332   3HB   ALA  42          1HB       ALA  42 -21.710   7.611   4.935
  333    H    THR  43           H        THR  43 -21.375   8.199   1.943
  334    HA   THR  43           HA       THR  43 -21.029   5.307   1.310
  335    HB   THR  43           HB       THR  43 -22.949   6.844  -0.301
  336    HG1  THR  43           HG1      THR  43 -23.747   7.881   1.327
  337   1HG2  THR  43          3HG2      THR  43 -22.515   4.212   0.465
  338   2HG2  THR  43          2HG2      THR  43 -23.925   4.686   1.413
  339   3HG2  THR  43          1HG2      THR  43 -23.958   4.824  -0.345
  340    H    CYS  44           H        CYS  44 -21.038   8.503  -0.283
  341    HA   CYS  44           HA       CYS  44 -20.156   7.603  -2.826
  342   1HB   CYS  44          2HB       CYS  44 -19.718  10.247  -1.415
  343   2HB   CYS  44          1HB       CYS  44 -19.338   9.961  -3.113
  344    H    LYS  45           H        LYS  45 -18.364   8.291   0.139
  345    HA   LYS  45           HA       LYS  45 -15.751   8.510  -0.821
  346   1HB   LYS  45          2HB       LYS  45 -16.535   8.480   1.620
  347   2HB   LYS  45          1HB       LYS  45 -16.471   6.721   1.513
  348   1HG   LYS  45          2HG       LYS  45 -14.102   6.803   0.935
  349   2HG   LYS  45          1HG       LYS  45 -14.143   8.566   0.896
  350   1HD   LYS  45          2HD       LYS  45 -14.744   8.602   3.293
  351   2HD   LYS  45          1HD       LYS  45 -14.693   6.839   3.330
  352   1HE   LYS  45          2HE       LYS  45 -12.420   6.789   3.381
  353   2HE   LYS  45          1HE       LYS  45 -12.274   8.094   2.204
  354   1HZ   LYS  45          2HZ       LYS  45 -13.315   9.321   4.388
  355   2HZ   LYS  45          1HZ       LYS  45 -12.227   8.207   5.068
  356   3HZ   LYS  45          3HZ       LYS  45 -11.679   9.340   3.932
  357    H    MET  46           H        MET  46 -17.619   5.521  -0.293
  358    HA   MET  46           HA       MET  46 -15.499   3.843  -1.391
  359   1HB   MET  46          2HB       MET  46 -18.427   3.214  -0.895
  360   2HB   MET  46          1HB       MET  46 -17.156   2.034  -1.215
  361   1HG   MET  46          2HG       MET  46 -15.962   2.815   0.829
  362   2HG   MET  46          1HG       MET  46 -17.303   3.911   1.165
  363   1HE   MET  46          2HE       MET  46 -19.648   3.281   1.660
  364   2HE   MET  46          1HE       MET  46 -19.812   2.296   0.209
  365   3HE   MET  46          3HE       MET  46 -20.305   1.650   1.780
  366    H    ILE  47           H        ILE  47 -18.191   5.653  -2.610
  367    HA   ILE  47           HA       ILE  47 -18.406   4.211  -5.134
  368    HB   ILE  47           HB       ILE  47 -19.362   6.996  -4.395
  369   1HG1  ILE  47          2HG1      ILE  47 -20.398   5.437  -2.900
  370   2HG1  ILE  47          1HG1      ILE  47 -21.581   5.762  -4.165
  371   1HG2  ILE  47          1HG2      ILE  47 -19.450   5.401  -6.841
  372   2HG2  ILE  47          3HG2      ILE  47 -21.059   5.872  -6.293
  373   3HG2  ILE  47          2HG2      ILE  47 -19.837   7.105  -6.602
  374   1HD1  ILE  47          3HD1      ILE  47 -20.379   3.686  -5.324
  375   2HD1  ILE  47          2HD1      ILE  47 -19.975   3.290  -3.654
  376   3HD1  ILE  47          1HD1      ILE  47 -21.663   3.449  -4.139
  377    H    LEU  48           H        LEU  48 -16.564   6.942  -3.894
  378    HA   LEU  48           HA       LEU  48 -15.661   7.798  -6.538
  379   1HB   LEU  48          2HB       LEU  48 -14.614   8.439  -3.761
  380   2HB   LEU  48          1HB       LEU  48 -14.075   9.222  -5.246
  381    HG   LEU  48           HG       LEU  48 -16.818   9.326  -3.979
  382   1HD1  LEU  48          2HD1      LEU  48 -15.029  10.948  -3.277
  383   2HD1  LEU  48          1HD1      LEU  48 -14.957  11.513  -4.946
  384   3HD1  LEU  48          3HD1      LEU  48 -16.437  11.719  -4.009
  385   1HD2  LEU  48          1HD2      LEU  48 -15.953   9.982  -6.800
  386   2HD2  LEU  48          3HD2      LEU  48 -17.309   8.980  -6.283
  387   3HD2  LEU  48          2HD2      LEU  48 -17.370  10.729  -6.061
  388    H    GLU  49           H        GLU  49 -14.584   5.568  -4.061
  389    HA   GLU  49           HA       GLU  49 -11.876   5.264  -4.966
  390   1HB   GLU  49          2HB       GLU  49 -13.735   3.386  -3.482
  391   2HB   GLU  49          1HB       GLU  49 -12.034   3.031  -3.784
  392   1HG   GLU  49          2HG       GLU  49 -11.390   5.097  -2.595
  393   2HG   GLU  49          1HG       GLU  49 -13.091   5.455  -2.295
  394    H    LYS  50           H        LYS  50 -14.929   3.726  -5.898
  395    HA   LYS  50           HA       LYS  50 -13.878   1.654  -7.527
  396   1HB   LYS  50          2HB       LYS  50 -16.413   3.286  -7.873
  397   2HB   LYS  50          1HB       LYS  50 -16.059   1.791  -8.740
  398   1HG   LYS  50          2HG       LYS  50 -15.838   0.621  -6.543
  399   2HG   LYS  50          1HG       LYS  50 -16.321   2.112  -5.735
  400   1HD   LYS  50          2HD       LYS  50 -18.449   2.082  -7.042
  401   2HD   LYS  50          1HD       LYS  50 -17.970   0.532  -7.732
  402   1HE   LYS  50          2HE       LYS  50 -17.821   0.686  -4.781
  403   2HE   LYS  50          1HE       LYS  50 -19.449   0.787  -5.452
  404   1HZ   LYS  50          2HZ       LYS  50 -18.722  -1.206  -6.858
  405   2HZ   LYS  50          1HZ       LYS  50 -17.472  -1.386  -5.720
  406   3HZ   LYS  50          3HZ       LYS  50 -19.091  -1.475  -5.221
  407    H    GLU  51           H        GLU  51 -14.384   5.090  -8.178
  408    HA   GLU  51           HA       GLU  51 -13.950   5.032 -10.994
  409   1HB   GLU  51          2HB       GLU  51 -14.780   7.016  -9.716
  410   2HB   GLU  51          1HB       GLU  51 -13.159   7.226  -9.054
  411   1HG   GLU  51          2HG       GLU  51 -13.337   8.694 -10.954
  412   2HG   GLU  51          1HG       GLU  51 -12.313   7.344 -11.442
  413    H    ALA  52           H        ALA  52 -11.720   4.989  -8.266
  414    HA   ALA  52           HA       ALA  52  -9.322   5.565  -9.709
  415   1HB   ALA  52          1HB       ALA  52  -9.242   3.600  -7.463
  416   2HB   ALA  52          2HB       ALA  52  -9.839   5.220  -7.104
  417   3HB   ALA  52          3HB       ALA  52  -8.217   5.004  -7.762
  418    H    LYS  53           H        LYS  53 -11.251   2.657  -9.393
  419    HA   LYS  53           HA       LYS  53  -9.317   0.748 -10.258
  420   1HB   LYS  53          2HB       LYS  53 -12.323   0.806 -10.664
  421   2HB   LYS  53          1HB       LYS  53 -11.302  -0.600 -10.966
  422   1HG   LYS  53          2HG       LYS  53 -10.540  -0.499  -8.586
  423   2HG   LYS  53          1HG       LYS  53 -11.677   0.820  -8.311
  424   1HD   LYS  53          2HD       LYS  53 -13.527  -0.693  -9.071
  425   2HD   LYS  53          1HD       LYS  53 -12.357  -2.009  -9.168
  426   1HE   LYS  53          2HE       LYS  53 -12.856  -0.396  -6.651
  427   2HE   LYS  53          1HE       LYS  53 -13.658  -1.927  -7.001
  428   1HZ   LYS  53          3HZ       LYS  53 -11.243  -2.740  -7.387
  429   2HZ   LYS  53          2HZ       LYS  53 -10.824  -1.402  -6.427
  430   3HZ   LYS  53          1HZ       LYS  53 -11.843  -2.611  -5.806
  431    H    SER  54           H        SER  54 -11.423   2.955 -12.054
  432    HA   SER  54           HA       SER  54 -10.911   1.863 -14.657
  433   1HB   SER  54          2HB       SER  54 -11.796   3.952 -15.512
  434   2HB   SER  54          1HB       SER  54 -12.743   3.496 -14.095
  435    HG   SER  54           HG       SER  54 -10.734   5.459 -14.333
  436    H    GLN  55           H        GLN  55  -9.070   3.948 -12.548
  437    HA   GLN  55           HA       GLN  55  -7.297   4.957 -14.620
  438   1HB   GLN  55          2HB       GLN  55  -6.963   4.810 -11.608
  439   2HB   GLN  55          1HB       GLN  55  -5.894   5.692 -12.699
  440   1HG   GLN  55          2HG       GLN  55  -7.770   7.097 -13.430
  441   2HG   GLN  55          1HG       GLN  55  -8.873   6.189 -12.396
  442   1HE2  GLN  55          1HE2      GLN  55  -8.590   8.969 -11.981
  443   2HE2  GLN  55          2HE2      GLN  55  -7.767   9.239 -10.521

  No H/Q in entry =         443
  Start of MODEL   18
    1    H1   LYS   1          3H        LYS   1   3.939   0.162  -3.199
    2    H2   LYS   1          2H        LYS   1   4.886   1.554  -2.971
    3    H3   LYS   1          1H        LYS   1   3.697   1.520  -4.185
    4    HA   LYS   1           HA       LYS   1   5.241   0.874  -5.616
    5   1HB   LYS   1          2HB       LYS   1   6.936   0.487  -3.133
    6   2HB   LYS   1          1HB       LYS   1   7.550   0.281  -4.773
    7   1HG   LYS   1          2HG       LYS   1   6.824   2.620  -5.287
    8   2HG   LYS   1          1HG       LYS   1   6.357   2.809  -3.597
    9   1HD   LYS   1          2HD       LYS   1   8.720   2.213  -2.957
   10   2HD   LYS   1          1HD       LYS   1   9.138   2.254  -4.669
   11   1HE   LYS   1          2HE       LYS   1   9.609   4.448  -4.204
   12   2HE   LYS   1          1HE       LYS   1   7.873   4.639  -4.447
   13   1HZ   LYS   1          2HZ       LYS   1   7.687   4.110  -1.985
   14   2HZ   LYS   1          1HZ       LYS   1   9.357   4.409  -1.902
   15   3HZ   LYS   1          3HZ       LYS   1   8.301   5.639  -2.402
   16    H    ASN   2           H        ASN   2   5.698  -1.327  -2.820
   17    HA   ASN   2           HA       ASN   2   6.163  -3.680  -4.280
   18   1HB   ASN   2          2HB       ASN   2   4.637  -3.389  -1.673
   19   2HB   ASN   2          1HB       ASN   2   5.330  -4.891  -2.286
   20   1HD2  ASN   2          1HD2      ASN   2   6.140  -3.644   0.222
   21   2HD2  ASN   2          2HD2      ASN   2   7.767  -3.189   0.060
   22    H    GLU   3           H        GLU   3   3.155  -1.977  -3.710
   23    HA   GLU   3           HA       GLU   3   1.266  -3.988  -4.254
   24   1HB   GLU   3          2HB       GLU   3   0.724  -1.632  -3.606
   25   2HB   GLU   3          1HB       GLU   3   1.149  -1.122  -5.240
   26   1HG   GLU   3          2HG       GLU   3  -0.573  -2.733  -6.115
   27   2HG   GLU   3          1HG       GLU   3  -1.065  -3.036  -4.449
   28    H    ASP   4           H        ASP   4   3.593  -2.533  -6.371
   29    HA   ASP   4           HA       ASP   4   2.251  -3.147  -8.860
   30   1HB   ASP   4          2HB       ASP   4   4.487  -2.777  -9.873
   31   2HB   ASP   4          1HB       ASP   4   4.051  -1.478  -8.760
   32    H    GLN   5           H        GLN   5   4.132  -4.990  -6.589
   33    HA   GLN   5           HA       GLN   5   4.974  -7.083  -8.378
   34   1HB   GLN   5          2HB       GLN   5   4.507  -7.048  -5.384
   35   2HB   GLN   5          1HB       GLN   5   5.189  -8.426  -6.248
   36   1HG   GLN   5          2HG       GLN   5   7.022  -6.994  -7.082
   37   2HG   GLN   5          1HG       GLN   5   6.342  -5.619  -6.210
   38   1HE2  GLN   5          1HE2      GLN   5   8.969  -6.531  -5.600
   39   2HE2  GLN   5          2HE2      GLN   5   8.963  -7.225  -4.051
   40    H    GLU   6           H        GLU   6   1.989  -6.433  -6.641
   41    HA   GLU   6           HA       GLU   6   0.861  -9.072  -6.927
   42   1HB   GLU   6          2HB       GLU   6  -0.501  -6.378  -6.614
   43   2HB   GLU   6          1HB       GLU   6  -1.301  -7.942  -6.451
   44   1HG   GLU   6          2HG       GLU   6   0.227  -8.527  -4.600
   45   2HG   GLU   6          1HG       GLU   6   1.020  -6.960  -4.761
   46    H    MET   7           H        MET   7   0.180  -6.044  -8.730
   47    HA   MET   7           HA       MET   7  -1.498  -7.049 -10.696
   48   1HB   MET   7          2HB       MET   7   0.723  -5.005 -10.918
   49   2HB   MET   7          1HB       MET   7  -0.397  -5.338 -12.240
   50   1HG   MET   7          2HG       MET   7  -2.301  -4.769 -10.797
   51   2HG   MET   7          1HG       MET   7  -1.210  -4.497  -9.438
   52   1HE   MET   7          3HE       MET   7  -1.949  -2.496  -8.847
   53   2HE   MET   7          2HE       MET   7  -1.685  -0.931  -9.613
   54   3HE   MET   7          1HE       MET   7  -3.078  -1.906 -10.075
   55    H    CYS   8           H        CYS   8   1.888  -7.736 -10.250
   56    HA   CYS   8           HA       CYS   8   2.356  -8.758 -12.921
   57   1HB   CYS   8          2HB       CYS   8   4.203  -8.001 -11.470
   58   2HB   CYS   8          1HB       CYS   8   3.834  -9.292 -10.329
   59    H    HIS   9           H        HIS   9   1.162 -10.128  -9.900
   60    HA   HIS   9           HA       HIS   9   1.493 -12.878 -10.455
   61   1HB   HIS   9          2HB       HIS   9  -0.126 -13.285  -8.790
   62   2HB   HIS   9          1HB       HIS   9   0.517 -11.708  -8.341
   63    HD1  HIS   9           HD1      HIS   9  -2.354 -13.083 -10.457
   64    HD2  HIS   9           HD2      HIS   9  -1.471  -9.818  -8.021
   65    HE1  HIS   9           HE1      HIS   9  -4.471 -11.700 -10.318
   66    H    GLU  10           H        GLU  10  -0.812 -10.560 -11.731
   67    HA   GLU  10           HA       GLU  10  -2.577 -12.494 -12.949
   68   1HB   GLU  10          2HB       GLU  10  -3.250 -10.151 -12.523
   69   2HB   GLU  10          1HB       GLU  10  -2.054  -9.600 -13.695
   70   1HG   GLU  10          2HG       GLU  10  -4.147  -9.682 -14.861
   71   2HG   GLU  10          1HG       GLU  10  -3.224 -11.084 -15.403
   72    H    PHE  11           H        PHE  11   0.433 -10.956 -13.920
   73    HA   PHE  11           HA       PHE  11   0.190 -12.111 -16.641
   74   1HB   PHE  11          2HB       PHE  11   1.818  -9.982 -15.373
   75   2HB   PHE  11          1HB       PHE  11   2.643 -10.933 -16.605
   76    HD1  PHE  11           HD1      PHE  11   0.236 -11.573 -18.355
   77    HD2  PHE  11           HD2      PHE  11   1.546  -7.916 -16.513
   78    HE1  PHE  11           HE1      PHE  11  -0.928 -10.270 -20.105
   79    HE2  PHE  11           HE2      PHE  11   0.386  -6.621 -18.271
   80    HZ   PHE  11           HZ       PHE  11  -0.856  -7.792 -20.066
   81    H    GLN  12           H        GLN  12   1.169 -13.166 -13.673
   82    HA   GLN  12           HA       GLN  12   3.699 -14.397 -14.259
   83   1HB   GLN  12          2HB       GLN  12   1.553 -14.893 -12.198
   84   2HB   GLN  12          1HB       GLN  12   2.961 -15.948 -12.315
   85   1HG   GLN  12          2HG       GLN  12   4.421 -13.912 -12.131
   86   2HG   GLN  12          1HG       GLN  12   2.970 -12.953 -11.840
   87   1HE2  GLN  12          1HE2      GLN  12   4.621 -12.799  -9.742
   88   2HE2  GLN  12          2HE2      GLN  12   4.170 -13.831  -8.472
   89    H    ALA  13           H        ALA  13   0.336 -15.470 -14.624
   90    HA   ALA  13           HA       ALA  13   1.043 -18.174 -15.392
   91   1HB   ALA  13          2HB       ALA  13  -1.436 -17.662 -16.530
   92   2HB   ALA  13          3HB       ALA  13  -1.396 -16.571 -15.146
   93   3HB   ALA  13          1HB       ALA  13  -1.164 -18.303 -14.910
   94    H    PHE  14           H        PHE  14   0.915 -15.121 -17.031
   95    HA   PHE  14           HA       PHE  14   0.919 -16.407 -19.698
   96   1HB   PHE  14          2HB       PHE  14   0.984 -13.503 -18.829
   97   2HB   PHE  14          1HB       PHE  14   1.011 -14.029 -20.513
   98    HD1  PHE  14           HD1      PHE  14  -0.919 -15.393 -21.413
   99    HD2  PHE  14           HD2      PHE  14  -1.044 -13.460 -17.579
  100    HE1  PHE  14           HE1      PHE  14  -3.390 -15.607 -21.385
  101    HE2  PHE  14           HE2      PHE  14  -3.515 -13.674 -17.551
  102    HZ   PHE  14           HZ       PHE  14  -4.688 -14.748 -19.454
  103    H    MET  15           H        MET  15   3.169 -15.846 -17.343
  104    HA   MET  15           HA       MET  15   5.341 -14.838 -19.024
  105   1HB   MET  15          2HB       MET  15   5.068 -14.613 -16.447
  106   2HB   MET  15          1HB       MET  15   5.708 -16.254 -16.388
  107   1HG   MET  15          2HG       MET  15   7.093 -13.982 -17.841
  108   2HG   MET  15          1HG       MET  15   7.455 -14.431 -16.176
  109   1HE   MET  15          2HE       MET  15   7.381 -16.740 -15.550
  110   2HE   MET  15          1HE       MET  15   7.679 -18.148 -16.566
  111   3HE   MET  15          3HE       MET  15   9.032 -17.297 -15.808
  112    H    LYS  16           H        LYS  16   6.749 -16.075 -20.203
  113    HA   LYS  16           HA       LYS  16   6.858 -19.001 -19.658
  114   1HB   LYS  16          2HB       LYS  16   5.209 -18.460 -21.531
  115   2HB   LYS  16          1HB       LYS  16   6.599 -17.904 -22.465
  116   1HG   LYS  16          2HG       LYS  16   7.666 -20.121 -22.173
  117   2HG   LYS  16          1HG       LYS  16   6.252 -20.673 -21.275
  118   1HD   LYS  16          2HD       LYS  16   4.831 -20.292 -23.240
  119   2HD   LYS  16          1HD       LYS  16   6.217 -19.676 -24.140
  120   1HE   LYS  16          2HE       LYS  16   7.341 -21.855 -23.919
  121   2HE   LYS  16          1HE       LYS  16   5.974 -22.475 -22.993
  122   1HZ   LYS  16          3HZ       LYS  16   5.631 -21.346 -25.703
  123   2HZ   LYS  16          2HZ       LYS  16   6.032 -22.980 -25.464
  124   3HZ   LYS  16          1HZ       LYS  16   4.579 -22.359 -24.840
  125    H    ASN  17           H        ASN  17   8.877 -19.929 -20.138
  126    HA   ASN  17           HA       ASN  17  11.223 -19.867 -20.317
  127   1HB   ASN  17          2HB       ASN  17  10.470 -18.051 -22.630
  128   2HB   ASN  17          1HB       ASN  17  12.043 -18.815 -22.407
  129   1HD2  ASN  17          1HD2      ASN  17   9.592 -19.197 -24.394
  130   2HD2  ASN  17          2HD2      ASN  17   9.438 -20.886 -24.451
  131    H    GLY  18           H        GLY  18   9.925 -17.834 -18.593
  132   1HA   GLY  18          1HA       GLY  18  12.254 -16.148 -18.165
  133   2HA   GLY  18          2HA       GLY  18  10.744 -16.075 -17.253
  134    H    LYS  19           H        LYS  19   9.370 -15.909 -20.014
  135    HA   LYS  19           HA       LYS  19   9.912 -13.002 -20.470
  136   1HB   LYS  19          2HB       LYS  19  10.459 -14.647 -22.364
  137   2HB   LYS  19          1HB       LYS  19   8.719 -14.903 -22.494
  138   1HG   LYS  19          2HG       LYS  19   9.049 -12.111 -22.380
  139   2HG   LYS  19          1HG       LYS  19  10.321 -12.683 -23.459
  140   1HD   LYS  19          2HD       LYS  19   8.500 -14.076 -24.612
  141   2HD   LYS  19          1HD       LYS  19   7.337 -13.106 -23.707
  142   1HE   LYS  19          2HE       LYS  19   7.624 -12.036 -25.842
  143   2HE   LYS  19          1HE       LYS  19   8.479 -11.047 -24.657
  144   1HZ   LYS  19          1HZ       LYS  19  10.525 -12.286 -25.270
  145   2HZ   LYS  19          3HZ       LYS  19   9.659 -13.028 -26.525
  146   3HZ   LYS  19          2HZ       LYS  19   9.888 -11.345 -26.533
  147    H    LEU  20           H        LEU  20   8.070 -11.654 -20.691
  148    HA   LEU  20           HA       LEU  20   5.600 -12.806 -19.526
  149   1HB   LEU  20          2HB       LEU  20   6.872 -10.477 -18.982
  150   2HB   LEU  20          1HB       LEU  20   5.744  -9.917 -20.215
  151    HG   LEU  20           HG       LEU  20   5.115 -11.236 -17.569
  152   1HD1  LEU  20          1HD1      LEU  20   4.603  -8.603 -18.913
  153   2HD1  LEU  20          3HD1      LEU  20   3.440  -9.190 -17.724
  154   3HD1  LEU  20          2HD1      LEU  20   5.123  -8.928 -17.260
  155   1HD2  LEU  20          3HD2      LEU  20   3.463 -11.071 -20.081
  156   2HD2  LEU  20          2HD2      LEU  20   3.644 -12.422 -18.962
  157   3HD2  LEU  20          1HD2      LEU  20   2.681 -11.017 -18.501
  158    H    PHE  21           H        PHE  21   4.324 -13.722 -21.092
  159    HA   PHE  21           HA       PHE  21   4.128 -12.433 -23.750
  160   1HB   PHE  21          2HB       PHE  21   3.108 -15.035 -22.595
  161   2HB   PHE  21          1HB       PHE  21   2.574 -14.445 -24.170
  162    HD1  PHE  21           HD1      PHE  21   5.493 -15.585 -22.197
  163    HD2  PHE  21           HD2      PHE  21   4.058 -14.430 -26.078
  164    HE1  PHE  21           HE1      PHE  21   7.576 -16.452 -23.225
  165    HE2  PHE  21           HE2      PHE  21   6.143 -15.296 -27.106
  166    HZ   PHE  21           HZ       PHE  21   7.901 -16.308 -25.680
  167    H    CYS  22           H        CYS  22   3.138 -10.642 -22.081
  168    HA   CYS  22           HA       CYS  22   0.488 -10.905 -21.148
  169   1HB   CYS  22          2HB       CYS  22   0.409  -8.355 -21.552
  170   2HB   CYS  22          1HB       CYS  22   1.648  -8.965 -20.457
  171    HA   PRO  23           HA       PRO  23  -1.420 -11.098 -25.247
  172   1HB   PRO  23          2HB       PRO  23  -3.478 -12.659 -24.479
  173   2HB   PRO  23          1HB       PRO  23  -1.873 -13.298 -24.830
  174   1HG   PRO  23          2HG       PRO  23  -3.243 -13.010 -22.252
  175   2HG   PRO  23          1HG       PRO  23  -1.878 -14.038 -22.681
  176   1HD   PRO  23          1HD       PRO  23  -1.836 -11.522 -21.292
  177   2HD   PRO  23          2HD       PRO  23  -0.475 -12.570 -21.686
  178    H    GLN  24           H        GLN  24  -3.918 -11.327 -22.739
  179    HA   GLN  24           HA       GLN  24  -4.881  -8.608 -23.506
  180   1HB   GLN  24          2HB       GLN  24  -6.514 -11.157 -23.347
  181   2HB   GLN  24          1HB       GLN  24  -7.226  -9.544 -23.407
  182   1HG   GLN  24          2HG       GLN  24  -6.049  -9.124 -25.551
  183   2HG   GLN  24          1HG       GLN  24  -5.391 -10.759 -25.497
  184   1HE2  GLN  24          1HE2      GLN  24  -7.018 -10.065 -27.678
  185   2HE2  GLN  24          2HE2      GLN  24  -8.514 -10.859 -27.552
  186    H    ASP  25           H        ASP  25  -5.710  -7.432 -21.773
  187    HA   ASP  25           HA       ASP  25  -5.285  -8.622 -19.101
  188   1HB   ASP  25          2HB       ASP  25  -4.434  -6.331 -19.651
  189   2HB   ASP  25          1HB       ASP  25  -6.104  -5.797 -19.839
  190    H    LYS  26           H        LYS  26  -7.018  -9.848 -18.450
  191    HA   LYS  26           HA       LYS  26  -9.708  -9.520 -19.274
  192   1HB   LYS  26          2HB       LYS  26  -8.647 -10.642 -16.662
  193   2HB   LYS  26          1HB       LYS  26 -10.286 -10.869 -17.271
  194   1HG   LYS  26          2HG       LYS  26  -9.364 -11.963 -19.298
  195   2HG   LYS  26          1HG       LYS  26  -7.736 -11.771 -18.646
  196   1HD   LYS  26          2HD       LYS  26  -8.419 -13.112 -16.653
  197   2HD   LYS  26          1HD       LYS  26  -9.995 -13.370 -17.402
  198   1HE   LYS  26          2HE       LYS  26  -9.130 -15.134 -18.503
  199   2HE   LYS  26          1HE       LYS  26  -8.067 -14.024 -19.368
  200   1HZ   LYS  26          3HZ       LYS  26  -7.028 -14.390 -16.805
  201   2HZ   LYS  26          2HZ       LYS  26  -7.388 -15.930 -17.427
  202   3HZ   LYS  26          1HZ       LYS  26  -6.359 -14.883 -18.283
  203    H    LYS  27           H        LYS  27  -7.913  -8.046 -16.617
  204    HA   LYS  27           HA       LYS  27 -10.265  -6.254 -16.158
  205   1HB   LYS  27          2HB       LYS  27 -10.074  -7.651 -14.209
  206   2HB   LYS  27          1HB       LYS  27  -8.325  -7.432 -14.151
  207   1HG   LYS  27          2HG       LYS  27  -8.679  -4.998 -13.743
  208   2HG   LYS  27          1HG       LYS  27 -10.420  -5.282 -13.709
  209   1HD   LYS  27          2HD       LYS  27 -10.350  -6.213 -11.630
  210   2HD   LYS  27          1HD       LYS  27  -8.839  -7.061 -11.956
  211   1HE   LYS  27          2HE       LYS  27  -7.924  -5.514 -10.561
  212   2HE   LYS  27          1HE       LYS  27  -8.009  -4.448 -11.963
  213   1HZ   LYS  27          3HZ       LYS  27 -10.301  -3.862 -11.198
  214   2HZ   LYS  27          2HZ       LYS  27  -9.970  -4.694  -9.754
  215   3HZ   LYS  27          1HZ       LYS  27  -9.051  -3.330 -10.182
  216    HA   PRO  28           HA       PRO  28  -6.939  -3.469 -17.572
  217   1HB   PRO  28          2HB       PRO  28  -8.605  -1.412 -18.126
  218   2HB   PRO  28          1HB       PRO  28  -8.342  -2.764 -19.231
  219   1HG   PRO  28          2HG       PRO  28 -10.589  -2.297 -17.306
  220   2HG   PRO  28          1HG       PRO  28 -10.658  -2.872 -18.974
  221   1HD   PRO  28          1HD       PRO  28 -10.840  -4.560 -16.875
  222   2HD   PRO  28          2HD       PRO  28 -10.069  -5.033 -18.389
  223    H    ILE  29           H        ILE  29  -5.758  -2.323 -16.130
  224    HA   ILE  29           HA       ILE  29  -7.214  -0.735 -14.055
  225    HB   ILE  29           HB       ILE  29  -6.092  -2.857 -13.198
  226   1HG1  ILE  29          2HG1      ILE  29  -6.590  -0.760 -11.840
  227   2HG1  ILE  29          1HG1      ILE  29  -5.311  -1.793 -11.205
  228   1HG2  ILE  29          1HG2      ILE  29  -4.112  -2.695 -14.709
  229   2HG2  ILE  29          3HG2      ILE  29  -3.578  -1.275 -13.811
  230   3HG2  ILE  29          2HG2      ILE  29  -3.657  -2.845 -13.012
  231   1HD1  ILE  29          2HD1      ILE  29  -4.016  -0.037 -12.981
  232   2HD1  ILE  29          1HD1      ILE  29  -5.162   0.965 -12.095
  233   3HD1  ILE  29          3HD1      ILE  29  -3.963   0.014 -11.220
  234    H    GLN  30           H        GLN  30  -6.253   1.304 -13.559
  235    HA   GLN  30           HA       GLN  30  -4.577   2.386 -15.702
  236   1HB   GLN  30          2HB       GLN  30  -5.584   3.634 -13.122
  237   2HB   GLN  30          1HB       GLN  30  -4.754   4.509 -14.409
  238   1HG   GLN  30          2HG       GLN  30  -6.541   3.866 -15.993
  239   2HG   GLN  30          1HG       GLN  30  -7.374   3.004 -14.699
  240   1HE2  GLN  30          1HE2      GLN  30  -8.532   5.267 -16.118
  241   2HE2  GLN  30          2HE2      GLN  30  -8.730   6.525 -14.995
  242    H    SER  31           H        SER  31  -2.437   2.052 -15.674
  243    HA   SER  31           HA       SER  31  -1.047   1.257 -13.239
  244   1HB   SER  31          2HB       SER  31   0.639   0.599 -14.642
  245   2HB   SER  31          1HB       SER  31  -0.652   0.686 -15.842
  246    HG   SER  31           HG       SER  31   0.026   2.930 -16.125
  247    H    LEU  32           H        LEU  32   1.113   2.374 -12.747
  248    HA   LEU  32           HA       LEU  32   0.658   5.327 -12.721
  249   1HB   LEU  32          2HB       LEU  32   2.481   5.005 -10.776
  250   2HB   LEU  32          1HB       LEU  32   0.753   4.825 -10.473
  251    HG   LEU  32           HG       LEU  32   0.962   2.378 -10.879
  252   1HD1  LEU  32          2HD1      LEU  32   2.937   2.495 -12.375
  253   2HD1  LEU  32          1HD1      LEU  32   3.932   2.984 -11.004
  254   3HD1  LEU  32          3HD1      LEU  32   3.202   1.379 -11.036
  255   1HD2  LEU  32          2HD2      LEU  32   2.653   3.701  -8.763
  256   2HD2  LEU  32          1HD2      LEU  32   1.069   2.944  -8.591
  257   3HD2  LEU  32          3HD2      LEU  32   2.502   1.944  -8.839
  258    H    ASP  33           H        ASP  33   2.459   3.024 -14.270
  259    HA   ASP  33           HA       ASP  33   5.038   4.418 -14.231
  260   1HB   ASP  33          2HB       ASP  33   3.939   2.053 -15.753
  261   2HB   ASP  33          1HB       ASP  33   5.517   2.744 -16.132
  262    H    GLY  34           H        GLY  34   2.219   5.347 -15.476
  263   1HA   GLY  34          1HA       GLY  34   3.522   6.838 -17.668
  264   2HA   GLY  34          2HA       GLY  34   1.913   7.152 -17.018
  265    H    ILE  35           H        ILE  35   1.971   3.910 -17.348
  266    HA   ILE  35           HA       ILE  35   1.233   3.939 -20.238
  267    HB   ILE  35           HB       ILE  35   1.774   1.585 -18.405
  268   1HG1  ILE  35          2HG1      ILE  35   3.540   2.686 -20.601
  269   2HG1  ILE  35          1HG1      ILE  35   3.738   3.130 -18.906
  270   1HG2  ILE  35          1HG2      ILE  35   1.417   1.798 -21.408
  271   2HG2  ILE  35          3HG2      ILE  35   1.897   0.334 -20.549
  272   3HG2  ILE  35          2HG2      ILE  35   0.300   1.030 -20.279
  273   1HD1  ILE  35          3HD1      ILE  35   3.520   0.223 -19.460
  274   2HD1  ILE  35          2HD1      ILE  35   4.990   1.005 -20.041
  275   3HD1  ILE  35          1HD1      ILE  35   4.570   1.077 -18.330
  276    H    MET  36           H        MET  36  -0.693   2.539 -20.800
  277    HA   MET  36           HA       MET  36  -2.820   2.953 -18.751
  278   1HB   MET  36          2HB       MET  36  -2.964   2.558 -21.754
  279   2HB   MET  36          1HB       MET  36  -4.376   2.669 -20.704
  280   1HG   MET  36          2HG       MET  36  -3.524   4.898 -19.910
  281   2HG   MET  36          1HG       MET  36  -2.259   4.793 -21.135
  282   1HE   MET  36          2HE       MET  36  -3.765   3.173 -23.352
  283   2HE   MET  36          1HE       MET  36  -4.314   4.459 -24.423
  284   3HE   MET  36          3HE       MET  36  -2.705   4.538 -23.692
  285    H    PHE  37           H        PHE  37  -2.805   1.096 -17.520
  286    HA   PHE  37           HA       PHE  37  -3.206  -1.138 -16.967
  287   1HB   PHE  37          2HB       PHE  37  -4.052  -1.910 -19.699
  288   2HB   PHE  37          1HB       PHE  37  -4.825  -2.222 -18.148
  289    HD1  PHE  37           HD1      PHE  37  -6.078  -0.349 -17.002
  290    HD2  PHE  37           HD2      PHE  37  -4.737  -0.083 -21.064
  291    HE1  PHE  37           HE1      PHE  37  -7.641   1.526 -17.383
  292    HE2  PHE  37           HE2      PHE  37  -6.305   1.787 -21.458
  293    HZ   PHE  37           HZ       PHE  37  -7.763   2.597 -19.620
  294    H    ILE  38           H        ILE  38  -2.130  -1.165 -20.365
  295    HA   ILE  38           HA       ILE  38  -0.759  -3.527 -20.505
  296    HB   ILE  38           HB       ILE  38   0.262  -0.856 -21.513
  297   1HG1  ILE  38          2HG1      ILE  38  -1.413  -2.993 -22.868
  298   2HG1  ILE  38          1HG1      ILE  38  -2.041  -1.466 -22.246
  299   1HG2  ILE  38          3HG2      ILE  38   1.945  -2.738 -21.470
  300   2HG2  ILE  38          2HG2      ILE  38   0.865  -3.648 -22.527
  301   3HG2  ILE  38          1HG2      ILE  38   1.578  -2.135 -23.086
  302   1HD1  ILE  38          1HD1      ILE  38  -0.470  -0.248 -23.754
  303   2HD1  ILE  38          3HD1      ILE  38   0.049  -1.797 -24.421
  304   3HD1  ILE  38          2HD1      ILE  38  -1.614  -1.254 -24.644
  305    H    ASN  39           H        ASN  39   0.209  -0.759 -18.576
  306    HA   ASN  39           HA       ASN  39   2.909  -1.161 -18.140
  307   1HB   ASN  39          2HB       ASN  39   1.370   0.506 -16.960
  308   2HB   ASN  39          1HB       ASN  39   0.992  -0.794 -15.832
  309   1HD2  ASN  39          1HD2      ASN  39   2.167  -0.210 -13.959
  310   2HD2  ASN  39          2HD2      ASN  39   3.832   0.115 -13.947
  311    H    LYS  40           H        LYS  40   0.257  -3.039 -16.662
  312    HA   LYS  40           HA       LYS  40   1.629  -4.648 -14.892
  313   1HB   LYS  40          2HB       LYS  40  -0.544  -5.408 -16.854
  314   2HB   LYS  40          1HB       LYS  40   0.052  -6.521 -15.623
  315   1HG   LYS  40          2HG       LYS  40  -0.413  -4.562 -13.965
  316   2HG   LYS  40          1HG       LYS  40  -1.428  -3.923 -15.259
  317   1HD   LYS  40          2HD       LYS  40  -2.587  -6.170 -15.336
  318   2HD   LYS  40          1HD       LYS  40  -1.688  -6.613 -13.885
  319   1HE   LYS  40          2HE       LYS  40  -2.638  -4.416 -12.882
  320   2HE   LYS  40          1HE       LYS  40  -3.790  -4.475 -14.216
  321   1HZ   LYS  40          1HZ       LYS  40  -3.331  -6.773 -12.406
  322   2HZ   LYS  40          3HZ       LYS  40  -4.496  -5.583 -12.085
  323   3HZ   LYS  40          2HZ       LYS  40  -4.618  -6.532 -13.489
  324    H    CYS  41           H        CYS  41   1.634  -4.927 -18.417
  325    HA   CYS  41           HA       CYS  41   3.177  -7.368 -18.478
  326   1HB   CYS  41          2HB       CYS  41   1.813  -6.473 -20.399
  327   2HB   CYS  41          1HB       CYS  41   3.031  -5.218 -20.606
  328    H    ALA  42           H        ALA  42   4.102  -4.007 -19.248
  329    HA   ALA  42           HA       ALA  42   6.905  -4.497 -19.323
  330   1HB   ALA  42          3HB       ALA  42   7.158  -2.077 -19.143
  331   2HB   ALA  42          1HB       ALA  42   5.502  -1.924 -18.555
  332   3HB   ALA  42          2HB       ALA  42   5.805  -2.447 -20.212
  333    H    THR  43           H        THR  43   4.724  -4.075 -16.615
  334    HA   THR  43           HA       THR  43   6.988  -3.605 -14.766
  335    HB   THR  43           HB       THR  43   5.034  -3.746 -13.049
  336    HG1  THR  43           HG1      THR  43   3.248  -2.930 -14.864
  337   1HG2  THR  43          1HG2      THR  43   6.233  -1.680 -14.063
  338   2HG2  THR  43          3HG2      THR  43   4.785  -1.510 -15.055
  339   3HG2  THR  43          2HG2      THR  43   4.664  -1.433 -13.297
  340    H    CYS  44           H        CYS  44   4.325  -5.991 -15.047
  341    HA   CYS  44           HA       CYS  44   5.230  -7.831 -13.150
  342   1HB   CYS  44          2HB       CYS  44   3.088  -8.013 -14.426
  343   2HB   CYS  44          1HB       CYS  44   4.006  -8.525 -15.837
  344    H    LYS  45           H        LYS  45   6.315  -7.420 -16.510
  345    HA   LYS  45           HA       LYS  45   7.947  -9.735 -16.685
  346   1HB   LYS  45          2HB       LYS  45   7.405  -8.118 -18.563
  347   2HB   LYS  45          1HB       LYS  45   8.619  -7.034 -17.883
  348   1HG   LYS  45          2HG       LYS  45  10.320  -8.825 -18.101
  349   2HG   LYS  45          1HG       LYS  45   9.103  -9.880 -18.818
  350   1HD   LYS  45          2HD       LYS  45   8.789  -8.272 -20.662
  351   2HD   LYS  45          1HD       LYS  45   9.997  -7.207 -19.942
  352   1HE   LYS  45          2HE       LYS  45  11.463  -8.330 -21.272
  353   2HE   LYS  45          1HE       LYS  45  11.356  -9.587 -20.040
  354   1HZ   LYS  45          3HZ       LYS  45   9.462 -10.519 -21.311
  355   2HZ   LYS  45          2HZ       LYS  45   9.775  -9.393 -22.543
  356   3HZ   LYS  45          1HZ       LYS  45  10.935 -10.571 -22.150
  357    H    MET  46           H        MET  46   8.810  -6.438 -15.598
  358    HA   MET  46           HA       MET  46  11.504  -7.120 -14.870
  359   1HB   MET  46          2HB       MET  46   9.673  -4.906 -13.898
  360   2HB   MET  46          1HB       MET  46  11.390  -5.011 -13.509
  361   1HG   MET  46          2HG       MET  46  11.878  -5.038 -15.975
  362   2HG   MET  46          1HG       MET  46  10.164  -4.744 -16.269
  363   1HE   MET  46          3HE       MET  46   8.969  -3.306 -14.713
  364   2HE   MET  46          2HE       MET  46   9.764  -2.304 -13.500
  365   3HE   MET  46          1HE       MET  46   9.214  -1.579 -15.009
  366    H    ILE  47           H        ILE  47   8.421  -7.258 -13.153
  367    HA   ILE  47           HA       ILE  47   9.598  -7.811 -10.561
  368    HB   ILE  47           HB       ILE  47   6.810  -8.459 -11.567
  369   1HG1  ILE  47          1HG1      ILE  47   7.195  -6.098 -11.867
  370   2HG1  ILE  47          2HG1      ILE  47   6.246  -6.286 -10.392
  371   1HG2  ILE  47          2HG2      ILE  47   8.208  -8.753  -9.006
  372   2HG2  ILE  47          1HG2      ILE  47   6.710  -7.833  -8.872
  373   3HG2  ILE  47          3HG2      ILE  47   6.685  -9.464  -9.540
  374   1HD1  ILE  47          1HD1      ILE  47   8.406  -6.232  -9.092
  375   2HD1  ILE  47          3HD1      ILE  47   9.237  -5.831 -10.595
  376   3HD1  ILE  47          2HD1      ILE  47   8.036  -4.724  -9.928
  377    H    LEU  48           H        LEU  48   8.585  -9.760 -13.313
  378    HA   LEU  48           HA       LEU  48   8.692 -12.297 -11.922
  379   1HB   LEU  48          2HB       LEU  48   8.821 -11.555 -14.857
  380   2HB   LEU  48          1HB       LEU  48   8.842 -13.224 -14.286
  381    HG   LEU  48           HG       LEU  48   6.670 -11.202 -13.671
  382   1HD1  LEU  48          3HD1      LEU  48   7.083 -12.467 -16.062
  383   2HD1  LEU  48          2HD1      LEU  48   6.051 -13.627 -15.226
  384   3HD1  LEU  48          1HD1      LEU  48   5.501 -11.968 -15.463
  385   1HD2  LEU  48          2HD2      LEU  48   7.424 -13.638 -12.407
  386   2HD2  LEU  48          1HD2      LEU  48   5.994 -12.656 -12.092
  387   3HD2  LEU  48          3HD2      LEU  48   5.931 -13.946 -13.292
  388    H    GLU  49           H        GLU  49  11.039 -10.275 -13.584
  389    HA   GLU  49           HA       GLU  49  13.108 -12.251 -13.833
  390   1HB   GLU  49          2HB       GLU  49  13.242  -9.230 -13.607
  391   2HB   GLU  49          1HB       GLU  49  14.629 -10.252 -13.987
  392   1HG   GLU  49          2HG       GLU  49  13.437 -11.126 -15.969
  393   2HG   GLU  49          1HG       GLU  49  12.057 -10.095 -15.591
  394    H    LYS  50           H        LYS  50  12.127 -10.096 -11.215
  395    HA   LYS  50           HA       LYS  50  14.390 -10.321  -9.539
  396   1HB   LYS  50          2HB       LYS  50  12.416  -8.846  -9.104
  397   2HB   LYS  50          1HB       LYS  50  11.490 -10.277  -8.653
  398   1HG   LYS  50          2HG       LYS  50  13.160 -10.773  -6.882
  399   2HG   LYS  50          1HG       LYS  50  14.029  -9.300  -7.311
  400   1HD   LYS  50          2HD       LYS  50  11.928  -8.003  -6.840
  401   2HD   LYS  50          1HD       LYS  50  11.196  -9.495  -6.250
  402   1HE   LYS  50          2HE       LYS  50  12.091  -9.008  -4.235
  403   2HE   LYS  50          1HE       LYS  50  13.665  -9.371  -4.943
  404   1HZ   LYS  50          3HZ       LYS  50  12.387  -6.708  -5.158
  405   2HZ   LYS  50          2HZ       LYS  50  13.432  -7.123  -3.885
  406   3HZ   LYS  50          1HZ       LYS  50  13.999  -7.119  -5.486
  407    H    GLU  51           H        GLU  51  11.707 -12.567 -10.067
  408    HA   GLU  51           HA       GLU  51  12.288 -14.355  -7.918
  409   1HB   GLU  51          2HB       GLU  51  11.072 -14.910 -10.641
  410   2HB   GLU  51          1HB       GLU  51  11.054 -16.038  -9.286
  411   1HG   GLU  51          2HG       GLU  51   9.855 -13.250  -9.256
  412   2HG   GLU  51          1HG       GLU  51   8.940 -14.748  -9.428
  413    H    ALA  52           H        ALA  52  13.657 -14.017 -11.151
  414    HA   ALA  52           HA       ALA  52  15.078 -16.497 -11.225
  415   1HB   ALA  52          2HB       ALA  52  15.922 -15.707 -13.188
  416   2HB   ALA  52          3HB       ALA  52  16.420 -14.177 -12.466
  417   3HB   ALA  52          1HB       ALA  52  14.746 -14.411 -12.967
  418    H    LYS  53           H        LYS  53  15.721 -13.456  -9.610
  419    HA   LYS  53           HA       LYS  53  18.511 -13.796  -9.128
  420   1HB   LYS  53          2HB       LYS  53  16.391 -12.426  -7.446
  421   2HB   LYS  53          1HB       LYS  53  18.129 -12.269  -7.187
  422   1HG   LYS  53          2HG       LYS  53  18.360 -11.409  -9.518
  423   2HG   LYS  53          1HG       LYS  53  16.607 -11.480  -9.690
  424   1HD   LYS  53          2HD       LYS  53  16.398  -9.944  -7.728
  425   2HD   LYS  53          1HD       LYS  53  18.156  -9.810  -7.686
  426   1HE   LYS  53          2HE       LYS  53  18.239  -8.684  -9.756
  427   2HE   LYS  53          1HE       LYS  53  16.625  -9.225 -10.217
  428   1HZ   LYS  53          3HZ       LYS  53  17.168  -7.399  -7.943
  429   2HZ   LYS  53          2HZ       LYS  53  16.747  -6.868  -9.501
  430   3HZ   LYS  53          1HZ       LYS  53  15.656  -7.803  -8.595
  431    H    SER  54           H        SER  54  15.671 -15.169  -7.573
  432    HA   SER  54           HA       SER  54  16.894 -16.108  -5.181
  433   1HB   SER  54          2HB       SER  54  14.704 -17.481  -6.768
  434   2HB   SER  54          1HB       SER  54  15.041 -17.680  -5.049
  435    HG   SER  54           HG       SER  54  14.514 -15.506  -4.745
  436    H    GLN  55           H        GLN  55  17.019 -17.292  -8.476
  437    HA   GLN  55           HA       GLN  55  18.859 -19.451  -7.532
  438   1HB   GLN  55          2HB       GLN  55  16.777 -19.616  -9.732
  439   2HB   GLN  55          1HB       GLN  55  18.002 -20.848  -9.426
  440   1HG   GLN  55          2HG       GLN  55  17.129 -21.155  -7.141
  441   2HG   GLN  55          1HG       GLN  55  15.912 -19.913  -7.434
  442   1HE2  GLN  55          1HE2      GLN  55  15.124 -22.574  -6.779
  443   2HE2  GLN  55          2HE2      GLN  55  14.394 -23.277  -8.141

  No H/Q in entry =         443
  Start of MODEL   19
    1    H1   LYS   1          1H        LYS   1  18.324  -7.606   8.724
    2    H2   LYS   1          3H        LYS   1  18.278  -8.010  10.371
    3    H3   LYS   1          2H        LYS   1  18.660  -6.424   9.897
    4    HA   LYS   1           HA       LYS   1  20.764  -7.115  10.230
    5   1HB   LYS   1          2HB       LYS   1  19.968  -9.313  11.102
    6   2HB   LYS   1          1HB       LYS   1  19.881  -9.909   9.444
    7   1HG   LYS   1          2HG       LYS   1  22.307  -9.424   9.172
    8   2HG   LYS   1          1HG       LYS   1  22.374  -8.913  10.859
    9   1HD   LYS   1          2HD       LYS   1  21.525 -11.186  11.513
   10   2HD   LYS   1          1HD       LYS   1  21.664 -11.673   9.824
   11   1HE   LYS   1          2HE       LYS   1  24.066 -11.206   9.855
   12   2HE   LYS   1          1HE       LYS   1  23.952 -10.613  11.512
   13   1HZ   LYS   1          1HZ       LYS   1  22.945 -12.922  11.970
   14   2HZ   LYS   1          3HZ       LYS   1  23.677 -13.369  10.507
   15   3HZ   LYS   1          2HZ       LYS   1  24.629 -12.785  11.788
   16    H    ASN   2           H        ASN   2  19.724  -9.331   7.625
   17    HA   ASN   2           HA       ASN   2  21.849  -8.616   5.872
   18   1HB   ASN   2          2HB       ASN   2  19.102  -9.731   5.228
   19   2HB   ASN   2          1HB       ASN   2  20.455  -9.677   4.098
   20   1HD2  ASN   2          1HD2      ASN   2  19.304 -12.175   4.895
   21   2HD2  ASN   2          2HD2      ASN   2  20.442 -13.018   5.831
   22    H    GLU   3           H        GLU   3  18.739  -7.129   6.482
   23    HA   GLU   3           HA       GLU   3  18.619  -5.534   4.090
   24   1HB   GLU   3          2HB       GLU   3  17.433  -5.071   6.844
   25   2HB   GLU   3          1HB       GLU   3  17.027  -4.128   5.410
   26   1HG   GLU   3          2HG       GLU   3  16.287  -6.213   4.276
   27   2HG   GLU   3          1HG       GLU   3  16.640  -7.119   5.747
   28    H    ASP   4           H        ASP   4  20.268  -5.167   7.170
   29    HA   ASP   4           HA       ASP   4  20.854  -2.393   7.057
   30   1HB   ASP   4          2HB       ASP   4  22.576  -4.651   8.131
   31   2HB   ASP   4          1HB       ASP   4  22.792  -2.940   8.499
   32    H    GLN   5           H        GLN   5  22.225  -5.114   5.318
   33    HA   GLN   5           HA       GLN   5  24.618  -3.847   4.397
   34   1HB   GLN   5          2HB       GLN   5  22.900  -6.006   3.136
   35   2HB   GLN   5          1HB       GLN   5  24.486  -5.529   2.530
   36   1HG   GLN   5          2HG       GLN   5  25.493  -6.103   4.711
   37   2HG   GLN   5          1HG       GLN   5  23.907  -6.580   5.318
   38   1HE2  GLN   5          1HE2      GLN   5  25.961  -8.506   5.268
   39   2HE2  GLN   5          2HE2      GLN   5  25.631  -9.656   4.064
   40    H    GLU   6           H        GLU   6  21.297  -3.870   3.137
   41    HA   GLU   6           HA       GLU   6  21.822  -2.554   0.668
   42   1HB   GLU   6          2HB       GLU   6  19.373  -2.455   2.456
   43   2HB   GLU   6          1HB       GLU   6  19.424  -1.837   0.805
   44   1HG   GLU   6          2HG       GLU   6  19.952  -4.704   1.650
   45   2HG   GLU   6          1HG       GLU   6  18.505  -4.116   0.830
   46    H    MET   7           H        MET   7  20.941  -1.192   3.858
   47    HA   MET   7           HA       MET   7  20.996   1.543   3.078
   48   1HB   MET   7          2HB       MET   7  21.588   0.206   5.731
   49   2HB   MET   7          1HB       MET   7  21.505   1.956   5.531
   50   1HG   MET   7          2HG       MET   7  19.207   1.859   4.863
   51   2HG   MET   7          1HG       MET   7  19.263   0.105   4.694
   52   1HE   MET   7          1HE       MET   7  17.066   1.040   5.851
   53   2HE   MET   7          3HE       MET   7  17.216  -0.573   6.560
   54   3HE   MET   7          2HE       MET   7  16.830   0.809   7.581
   55    H    CYS   8           H        CYS   8  23.568  -0.704   3.883
   56    HA   CYS   8           HA       CYS   8  25.653   1.239   4.245
   57   1HB   CYS   8          2HB       CYS   8  25.901  -1.608   3.231
   58   2HB   CYS   8          1HB       CYS   8  27.181  -0.637   3.961
   59    H    HIS   9           H        HIS   9  24.553  -0.604   1.398
   60    HA   HIS   9           HA       HIS   9  26.416   0.099  -0.513
   61   1HB   HIS   9          2HB       HIS   9  24.554  -1.244  -1.187
   62   2HB   HIS   9          1HB       HIS   9  23.398   0.004  -0.723
   63    HD1  HIS   9           HD1      HIS   9  23.711   2.352  -2.144
   64    HD2  HIS   9           HD2      HIS   9  25.251  -1.120  -3.862
   65    HE1  HIS   9           HE1      HIS   9  24.040   2.856  -4.602
   66    H    GLU  10           H        GLU  10  23.576   2.118   0.339
   67    HA   GLU  10           HA       GLU  10  24.476   4.373  -1.208
   68   1HB   GLU  10          2HB       GLU  10  22.109   4.032  -0.489
   69   2HB   GLU  10          1HB       GLU  10  22.599   4.362   1.173
   70   1HG   GLU  10          2HG       GLU  10  23.530   6.576   0.330
   71   2HG   GLU  10          1HG       GLU  10  22.711   6.245  -1.195
   72    H    PHE  11           H        PHE  11  25.045   3.318   2.111
   73    HA   PHE  11           HA       PHE  11  26.237   5.849   2.920
   74   1HB   PHE  11          2HB       PHE  11  25.704   3.239   4.163
   75   2HB   PHE  11          1HB       PHE  11  27.231   3.956   4.676
   76    HD1  PHE  11           HD1      PHE  11  24.494   6.096   3.510
   77    HD2  PHE  11           HD2      PHE  11  26.350   4.360   6.985
   78    HE1  PHE  11           HE1      PHE  11  23.273   7.687   4.963
   79    HE2  PHE  11           HE2      PHE  11  25.131   5.953   8.417
   80    HZ   PHE  11           HZ       PHE  11  23.591   7.617   7.419
   81    H    GLN  12           H        GLN  12  27.251   3.641   0.722
   82    HA   GLN  12           HA       GLN  12  30.080   3.525   1.490
   83   1HB   GLN  12          2HB       GLN  12  28.572   2.734  -1.020
   84   2HB   GLN  12          1HB       GLN  12  30.320   2.575  -0.860
   85   1HG   GLN  12          2HG       GLN  12  30.066   1.070   1.027
   86   2HG   GLN  12          1HG       GLN  12  28.324   1.335   1.055
   87   1HE2  GLN  12          1HE2      GLN  12  29.537  -1.282   0.689
   88   2HE2  GLN  12          2HE2      GLN  12  29.126  -1.822  -0.866
   89    H    ALA  13           H        ALA  13  28.044   5.307  -0.818
   90    HA   ALA  13           HA       ALA  13  30.204   6.763  -2.044
   91   1HB   ALA  13          2HB       ALA  13  27.251   6.903  -2.004
   92   2HB   ALA  13          1HB       ALA  13  28.059   8.446  -2.276
   93   3HB   ALA  13          3HB       ALA  13  28.367   7.087  -3.357
   94    H    PHE  14           H        PHE  14  28.073   7.411   0.726
   95    HA   PHE  14           HA       PHE  14  29.006  10.050   1.294
   96   1HB   PHE  14          2HB       PHE  14  27.858   7.860   3.041
   97   2HB   PHE  14          1HB       PHE  14  28.305   9.437   3.691
   98    HD1  PHE  14           HD1      PHE  14  27.219  11.516   2.759
   99    HD2  PHE  14           HD2      PHE  14  25.849   7.561   1.790
  100    HE1  PHE  14           HE1      PHE  14  25.061  12.455   1.978
  101    HE2  PHE  14           HE2      PHE  14  23.690   8.501   1.010
  102    HZ   PHE  14           HZ       PHE  14  23.297  10.947   1.103
  103    H    MET  15           H        MET  15  30.536   7.005   1.498
  104    HA   MET  15           HA       MET  15  32.409   7.700   3.626
  105   1HB   MET  15          2HB       MET  15  31.607   5.335   2.771
  106   2HB   MET  15          1HB       MET  15  32.922   5.533   1.612
  107   1HG   MET  15          2HG       MET  15  33.269   5.873   4.600
  108   2HG   MET  15          1HG       MET  15  33.575   4.356   3.756
  109   1HE   MET  15          1HE       MET  15  34.780   4.145   1.760
  110   2HE   MET  15          3HE       MET  15  35.003   5.635   0.833
  111   3HE   MET  15          2HE       MET  15  36.398   4.798   1.510
  112    H    LYS  16           H        LYS  16  34.419   8.633   3.359
  113    HA   LYS  16           HA       LYS  16  35.515   8.881   0.607
  114   1HB   LYS  16          2HB       LYS  16  34.123  10.930   1.181
  115   2HB   LYS  16          1HB       LYS  16  35.291  11.266   2.459
  116   1HG   LYS  16          2HG       LYS  16  37.106  11.307   0.771
  117   2HG   LYS  16          1HG       LYS  16  35.919  11.009  -0.499
  118   1HD   LYS  16          2HD       LYS  16  34.746  13.102   0.123
  119   2HD   LYS  16          1HD       LYS  16  35.963  13.405   1.363
  120   1HE   LYS  16          2HE       LYS  16  37.647  13.117  -0.648
  121   2HE   LYS  16          1HE       LYS  16  36.232  13.511  -1.624
  122   1HZ   LYS  16          3HZ       LYS  16  36.260  15.298   0.490
  123   2HZ   LYS  16          2HZ       LYS  16  37.858  15.231  -0.083
  124   3HZ   LYS  16          1HZ       LYS  16  36.590  15.628  -1.141
  125    H    ASN  17           H        ASN  17  37.719   8.654   0.597
  126    HA   ASN  17           HA       ASN  17  39.873   8.245   1.432
  127   1HB   ASN  17          2HB       ASN  17  38.965  10.232   3.538
  128   2HB   ASN  17          1HB       ASN  17  40.635   9.761   3.222
  129   1HD2  ASN  17          1HD2      ASN  17  38.937  12.388   2.788
  130   2HD2  ASN  17          2HD2      ASN  17  39.366  12.850   1.212
  131    H    GLY  18           H        GLY  18  37.691   6.504   2.302
  132   1HA   GLY  18          1HA       GLY  18  39.068   5.199   4.511
  133   2HA   GLY  18          2HA       GLY  18  37.583   4.638   3.743
  134    H    LYS  19           H        LYS  19  36.924   7.756   4.383
  135    HA   LYS  19           HA       LYS  19  36.144   7.289   7.222
  136   1HB   LYS  19          2HB       LYS  19  37.456   9.356   6.624
  137   2HB   LYS  19          1HB       LYS  19  36.085   9.877   5.646
  138   1HG   LYS  19          2HG       LYS  19  34.879   9.224   8.037
  139   2HG   LYS  19          1HG       LYS  19  36.419   9.898   8.569
  140   1HD   LYS  19          2HD       LYS  19  34.911  11.348   6.429
  141   2HD   LYS  19          1HD       LYS  19  34.326  11.472   8.088
  142   1HE   LYS  19          2HE       LYS  19  36.145  12.679   8.779
  143   2HE   LYS  19          1HE       LYS  19  37.252  11.813   7.713
  144   1HZ   LYS  19          1HZ       LYS  19  35.278  13.418   6.350
  145   2HZ   LYS  19          3HZ       LYS  19  36.370  14.314   7.290
  146   3HZ   LYS  19          2HZ       LYS  19  36.948  13.279   6.072
  147    H    LEU  20           H        LEU  20  33.970   7.352   7.819
  148    HA   LEU  20           HA       LEU  20  32.024   7.309   5.563
  149   1HB   LEU  20          2HB       LEU  20  31.840   5.318   6.835
  150   2HB   LEU  20          1HB       LEU  20  32.008   6.176   8.363
  151    HG   LEU  20           HG       LEU  20  29.778   7.354   7.698
  152   1HD1  LEU  20          1HD1      LEU  20  29.698   4.883   5.944
  153   2HD1  LEU  20          3HD1      LEU  20  28.333   5.957   6.264
  154   3HD1  LEU  20          2HD1      LEU  20  29.733   6.551   5.363
  155   1HD2  LEU  20          1HD2      LEU  20  30.183   4.537   8.619
  156   2HD2  LEU  20          3HD2      LEU  20  29.601   5.933   9.527
  157   3HD2  LEU  20          2HD2      LEU  20  28.544   5.128   8.364
  158    H    PHE  21           H        PHE  21  30.762   9.079   5.292
  159    HA   PHE  21           HA       PHE  21  30.714  11.150   7.392
  160   1HB   PHE  21          2HB       PHE  21  29.653  11.044   4.557
  161   2HB   PHE  21          1HB       PHE  21  29.397  12.421   5.629
  162    HD1  PHE  21           HD1      PHE  21  32.266  10.161   4.724
  163    HD2  PHE  21           HD2      PHE  21  30.877  14.184   5.307
  164    HE1  PHE  21           HE1      PHE  21  34.520  11.022   4.153
  165    HE2  PHE  21           HE2      PHE  21  33.131  15.045   4.736
  166    HZ   PHE  21           HZ       PHE  21  34.953  13.464   4.159
  167    H    CYS  22           H        CYS  22  29.163  11.041   8.938
  168    HA   CYS  22           HA       CYS  22  26.591   9.684   8.269
  169   1HB   CYS  22          2HB       CYS  22  27.690  10.398  11.003
  170   2HB   CYS  22          1HB       CYS  22  26.299   9.371  10.657
  171    HA   PRO  23           HA       PRO  23  25.498  14.204   8.380
  172   1HB   PRO  23          2HB       PRO  23  23.691  14.050   6.379
  173   2HB   PRO  23          1HB       PRO  23  25.417  14.282   6.095
  174   1HG   PRO  23          2HG       PRO  23  23.785  11.779   5.926
  175   2HG   PRO  23          1HG       PRO  23  25.052  12.356   4.839
  176   1HD   PRO  23          2HD       PRO  23  25.501  10.447   6.711
  177   2HD   PRO  23          1HD       PRO  23  26.748  11.585   6.200
  178    H    GLN  24           H        GLN  24  23.409  15.165   8.944
  179    HA   GLN  24           HA       GLN  24  21.866  13.594  10.762
  180   1HB   GLN  24          2HB       GLN  24  21.307  16.241   9.401
  181   2HB   GLN  24          1HB       GLN  24  20.243  15.545  10.623
  182   1HG   GLN  24          2HG       GLN  24  22.180  15.456  12.198
  183   2HG   GLN  24          1HG       GLN  24  23.169  16.263  10.981
  184   1HE2  GLN  24          1HE2      GLN  24  22.810  17.571  13.432
  185   2HE2  GLN  24          2HE2      GLN  24  21.781  18.905  13.228
  186    H    ASP  25           H        ASP  25  20.721  11.848  10.023
  187    HA   ASP  25           HA       ASP  25  19.341  12.005   7.412
  188   1HB   ASP  25          2HB       ASP  25  20.603   9.952   8.047
  189   2HB   ASP  25          1HB       ASP  25  19.493   9.717   9.398
  190    H    LYS  26           H        LYS  26  17.271  12.720   7.331
  191    HA   LYS  26           HA       LYS  26  15.705  13.306   9.645
  192   1HB   LYS  26          2HB       LYS  26  14.863  12.889   6.761
  193   2HB   LYS  26          1HB       LYS  26  13.817  13.549   8.018
  194   1HG   LYS  26          2HG       LYS  26  15.491  15.365   8.398
  195   2HG   LYS  26          1HG       LYS  26  16.435  14.734   7.047
  196   1HD   LYS  26          2HD       LYS  26  14.437  15.042   5.572
  197   2HD   LYS  26          1HD       LYS  26  13.595  15.793   6.927
  198   1HE   LYS  26          2HE       LYS  26  16.124  17.064   6.738
  199   2HE   LYS  26          1HE       LYS  26  15.476  16.982   5.100
  200   1HZ   LYS  26          3HZ       LYS  26  13.376  17.670   6.785
  201   2HZ   LYS  26          2HZ       LYS  26  14.689  18.658   7.219
  202   3HZ   LYS  26          1HZ       LYS  26  14.129  18.641   5.615
  203    H    LYS  27           H        LYS  27  15.926  10.449   7.600
  204    HA   LYS  27           HA       LYS  27  13.580   9.146   8.688
  205   1HB   LYS  27          2HB       LYS  27  15.933   7.664   7.531
  206   2HB   LYS  27          1HB       LYS  27  14.215   7.284   7.404
  207   1HG   LYS  27          2HG       LYS  27  14.088   9.607   6.171
  208   2HG   LYS  27          1HG       LYS  27  15.814   9.349   5.919
  209   1HD   LYS  27          2HD       LYS  27  13.712   7.284   5.221
  210   2HD   LYS  27          1HD       LYS  27  14.322   8.468   4.065
  211   1HE   LYS  27          2HE       LYS  27  16.181   6.670   5.626
  212   2HE   LYS  27          1HE       LYS  27  15.477   6.166   4.089
  213   1HZ   LYS  27          2HZ       LYS  27  16.366   8.630   3.512
  214   2HZ   LYS  27          1HZ       LYS  27  17.543   8.111   4.622
  215   3HZ   LYS  27          3HZ       LYS  27  17.241   7.203   3.221
  216    HA   PRO  28           HA       PRO  28  15.294   7.876  12.591
  217   1HB   PRO  28          2HB       PRO  28  13.541   5.907  13.174
  218   2HB   PRO  28          1HB       PRO  28  13.131   7.620  13.289
  219   1HG   PRO  28          2HG       PRO  28  12.511   5.662  11.111
  220   2HG   PRO  28          1HG       PRO  28  11.471   6.900  11.822
  221   1HD   PRO  28          2HD       PRO  28  12.725   7.245   9.444
  222   2HD   PRO  28          1HD       PRO  28  12.385   8.586  10.538
  223    H    ILE  29           H        ILE  29  16.834   6.396  13.208
  224    HA   ILE  29           HA       ILE  29  17.127   3.960  11.495
  225    HB   ILE  29           HB       ILE  29  19.580   4.207  12.608
  226   1HG1  ILE  29          2HG1      ILE  29  20.154   6.677  12.432
  227   2HG1  ILE  29          1HG1      ILE  29  18.421   6.996  12.422
  228   1HG2  ILE  29          2HG2      ILE  29  18.375   4.667  10.074
  229   2HG2  ILE  29          1HG2      ILE  29  19.528   5.973  10.346
  230   3HG2  ILE  29          3HG2      ILE  29  20.065   4.294  10.415
  231   1HD1  ILE  29          3HD1      ILE  29  18.913   5.171  14.544
  232   2HD1  ILE  29          2HD1      ILE  29  20.124   6.449  14.673
  233   3HD1  ILE  29          1HD1      ILE  29  18.408   6.857  14.669
  234    H    GLN  30           H        GLN  30  18.140   2.105  12.659
  235    HA   GLN  30           HA       GLN  30  17.847   2.101  15.596
  236   1HB   GLN  30          2HB       GLN  30  16.296   0.192  13.814
  237   2HB   GLN  30          1HB       GLN  30  16.343   0.151  15.576
  238   1HG   GLN  30          2HG       GLN  30  15.316   2.467  13.905
  239   2HG   GLN  30          1HG       GLN  30  14.305   1.296  14.752
  240   1HE2  GLN  30          1HE2      GLN  30  14.542   4.259  15.247
  241   2HE2  GLN  30          2HE2      GLN  30  15.010   4.409  16.872
  242    H    SER  31           H        SER  31  19.669   1.092  16.299
  243    HA   SER  31           HA       SER  31  21.276  -0.489  14.447
  244   1HB   SER  31          2HB       SER  31  21.831   1.050  16.671
  245   2HB   SER  31          1HB       SER  31  22.034  -0.594  17.278
  246    HG   SER  31           HG       SER  31  23.656  -0.921  15.942
  247    H    LEU  32           H        LEU  32  21.666  -2.691  14.528
  248    HA   LEU  32           HA       LEU  32  19.609  -4.301  15.903
  249   1HB   LEU  32          2HB       LEU  32  21.808  -5.097  13.967
  250   2HB   LEU  32          1HB       LEU  32  20.536  -6.165  14.558
  251    HG   LEU  32           HG       LEU  32  18.850  -4.547  13.597
  252   1HD1  LEU  32          3HD1      LEU  32  21.415  -3.256  12.721
  253   2HD1  LEU  32          2HD1      LEU  32  19.994  -3.136  11.685
  254   3HD1  LEU  32          1HD1      LEU  32  19.942  -2.501  13.330
  255   1HD2  LEU  32          2HD2      LEU  32  20.873  -5.774  11.699
  256   2HD2  LEU  32          1HD2      LEU  32  19.467  -6.587  12.387
  257   3HD2  LEU  32          3HD2      LEU  32  19.248  -5.261  11.244
  258    H    ASP  33           H        ASP  33  22.908  -3.387  16.298
  259    HA   ASP  33           HA       ASP  33  23.754  -5.700  17.827
  260   1HB   ASP  33          2HB       ASP  33  24.863  -2.879  17.722
  261   2HB   ASP  33          1HB       ASP  33  25.663  -4.250  18.490
  262    H    GLY  34           H        GLY  34  21.490  -3.373  18.510
  263   1HA   GLY  34          1HA       GLY  34  21.867  -3.793  21.440
  264   2HA   GLY  34          2HA       GLY  34  20.320  -3.454  20.663
  265    H    ILE  35           H        ILE  35  21.878  -1.417  18.946
  266    HA   ILE  35           HA       ILE  35  22.070   0.720  21.032
  267    HB   ILE  35           HB       ILE  35  23.280   0.889  18.269
  268   1HG1  ILE  35          2HG1      ILE  35  25.134   0.238  20.443
  269   2HG1  ILE  35          1HG1      ILE  35  23.997  -1.066  20.106
  270   1HG2  ILE  35          2HG2      ILE  35  22.978   2.900  19.835
  271   2HG2  ILE  35          1HG2      ILE  35  24.188   2.138  20.868
  272   3HG2  ILE  35          3HG2      ILE  35  24.608   2.618  19.224
  273   1HD1  ILE  35          3HD1      ILE  35  24.586  -0.925  17.694
  274   2HD1  ILE  35          2HD1      ILE  35  25.767   0.329  18.074
  275   3HD1  ILE  35          1HD1      ILE  35  25.989  -1.307  18.693
  276    H    MET  36           H        MET  36  20.936   2.659  20.649
  277    HA   MET  36           HA       MET  36  18.873   2.470  18.510
  278   1HB   MET  36          2HB       MET  36  19.023   4.301  20.927
  279   2HB   MET  36          1HB       MET  36  17.676   4.201  19.793
  280   1HG   MET  36          2HG       MET  36  17.360   1.819  20.390
  281   2HG   MET  36          1HG       MET  36  18.691   1.937  21.541
  282   1HE   MET  36          1HE       MET  36  18.922   3.996  22.813
  283   2HE   MET  36          3HE       MET  36  17.680   5.255  22.856
  284   3HE   MET  36          2HE       MET  36  17.838   4.121  24.195
  285    H    PHE  37           H        PHE  37  21.375   3.107  17.541
  286    HA   PHE  37           HA       PHE  37  21.078   6.018  16.936
  287   1HB   PHE  37          2HB       PHE  37  23.465   4.454  17.779
  288   2HB   PHE  37          1HB       PHE  37  23.714   5.654  16.511
  289    HD1  PHE  37           HD1      PHE  37  22.268   7.938  17.021
  290    HD2  PHE  37           HD2      PHE  37  23.857   5.217  19.940
  291    HE1  PHE  37           HE1      PHE  37  22.240   9.745  18.719
  292    HE2  PHE  37           HE2      PHE  37  23.829   7.024  21.639
  293    HZ   PHE  37           HZ       PHE  37  23.021   9.288  21.029
  294    H    ILE  38           H        ILE  38  22.590   6.426  14.838
  295    HA   ILE  38           HA       ILE  38  21.327   5.266  12.634
  296    HB   ILE  38           HB       ILE  38  24.201   6.227  12.776
  297   1HG1  ILE  38          2HG1      ILE  38  21.735   7.747  11.896
  298   2HG1  ILE  38          1HG1      ILE  38  22.365   7.823  13.542
  299   1HG2  ILE  38          3HG2      ILE  38  23.295   4.828  10.743
  300   2HG2  ILE  38          2HG2      ILE  38  22.435   6.315  10.346
  301   3HG2  ILE  38          1HG2      ILE  38  24.196   6.314  10.440
  302   1HD1  ILE  38          2HD1      ILE  38  24.553   8.584  12.651
  303   2HD1  ILE  38          1HD1      ILE  38  23.887   8.550  11.018
  304   3HD1  ILE  38          3HD1      ILE  38  23.251   9.687  12.206
  305    H    ASN  39           H        ASN  39  21.123   3.072  12.458
  306    HA   ASN  39           HA       ASN  39  23.110   1.184  13.289
  307   1HB   ASN  39          2HB       ASN  39  20.753   0.565  13.011
  308   2HB   ASN  39          1HB       ASN  39  20.862   0.867  11.280
  309   1HD2  ASN  39          1HD2      ASN  39  22.910  -0.932  13.665
  310   2HD2  ASN  39          2HD2      ASN  39  23.027  -2.336  12.721
  311    H    LYS  40           H        LYS  40  22.613   2.951  10.303
  312    HA   LYS  40           HA       LYS  40  24.206   1.308   8.616
  313   1HB   LYS  40          2HB       LYS  40  23.854   4.314   8.497
  314   2HB   LYS  40          1HB       LYS  40  24.362   3.269   7.169
  315   1HG   LYS  40          2HG       LYS  40  22.204   2.088   7.262
  316   2HG   LYS  40          1HG       LYS  40  21.695   3.110   8.605
  317   1HD   LYS  40          2HD       LYS  40  22.004   5.111   7.120
  318   2HD   LYS  40          1HD       LYS  40  22.336   4.012   5.781
  319   1HE   LYS  40          2HE       LYS  40  20.145   3.248   5.688
  320   2HE   LYS  40          1HE       LYS  40  19.840   3.601   7.389
  321   1HZ   LYS  40          2HZ       LYS  40  20.427   6.021   6.211
  322   2HZ   LYS  40          1HZ       LYS  40  19.394   5.236   5.115
  323   3HZ   LYS  40          3HZ       LYS  40  18.900   5.477   6.719
  324    H    CYS  41           H        CYS  41  25.158   4.440  10.036
  325    HA   CYS  41           HA       CYS  41  27.949   4.052   9.674
  326   1HB   CYS  41          2HB       CYS  41  26.409   5.711  11.686
  327   2HB   CYS  41          1HB       CYS  41  28.165   5.749  11.555
  328    H    ALA  42           H        ALA  42  25.758   2.651  11.916
  329    HA   ALA  42           HA       ALA  42  27.772   1.999  13.929
  330   1HB   ALA  42          3HB       ALA  42  25.177   2.237  14.199
  331   2HB   ALA  42          2HB       ALA  42  25.150   0.561  13.652
  332   3HB   ALA  42          1HB       ALA  42  26.029   0.996  15.118
  333    H    THR  43           H        THR  43  26.031   0.179  11.385
  334    HA   THR  43           HA       THR  43  27.998  -2.028  11.790
  335    HB   THR  43           HB       THR  43  26.242  -3.265  10.291
  336    HG1  THR  43           HG1      THR  43  24.639  -2.033   9.787
  337   1HG2  THR  43          3HG2      THR  43  25.935  -2.469  13.182
  338   2HG2  THR  43          2HG2      THR  43  24.796  -3.578  12.418
  339   3HG2  THR  43          1HG2      THR  43  26.505  -4.000  12.518
  340    H    CYS  44           H        CYS  44  26.500   0.006   9.269
  341    HA   CYS  44           HA       CYS  44  27.760  -1.149   7.023
  342   1HB   CYS  44          2HB       CYS  44  27.098   1.765   7.536
  343   2HB   CYS  44          1HB       CYS  44  27.563   1.109   5.970
  344    H    LYS  45           H        LYS  45  29.064   0.983   9.497
  345    HA   LYS  45           HA       LYS  45  31.412   1.860   8.194
  346   1HB   LYS  45          2HB       LYS  45  30.667   1.302  11.034
  347   2HB   LYS  45          1HB       LYS  45  32.373   1.539  10.663
  348   1HG   LYS  45          2HG       LYS  45  31.713   3.674   9.475
  349   2HG   LYS  45          1HG       LYS  45  30.093   3.457  10.139
  350   1HD   LYS  45          2HD       LYS  45  31.245   3.273  12.433
  351   2HD   LYS  45          1HD       LYS  45  32.678   3.920  11.634
  352   1HE   LYS  45          2HE       LYS  45  31.516   5.937  11.017
  353   2HE   LYS  45          1HE       LYS  45  29.967   5.267  11.529
  354   1HZ   LYS  45          2HZ       LYS  45  31.891   5.153  13.621
  355   2HZ   LYS  45          1HZ       LYS  45  31.701   6.745  13.058
  356   3HZ   LYS  45          3HZ       LYS  45  30.354   5.877  13.611
  357    H    MET  46           H        MET  46  30.792  -1.186   9.930
  358    HA   MET  46           HA       MET  46  33.454  -2.227   9.311
  359   1HB   MET  46          2HB       MET  46  30.953  -3.546  10.416
  360   2HB   MET  46          1HB       MET  46  32.498  -4.373  10.217
  361   1HG   MET  46          2HG       MET  46  33.572  -2.707  11.699
  362   2HG   MET  46          1HG       MET  46  32.017  -1.904  11.914
  363   1HE   MET  46          1HE       MET  46  34.091  -4.883  12.075
  364   2HE   MET  46          3HE       MET  46  33.582  -5.835  13.476
  365   3HE   MET  46          2HE       MET  46  32.752  -6.019  11.934
  366    H    ILE  47           H        ILE  47  30.182  -2.464   8.021
  367    HA   ILE  47           HA       ILE  47  30.767  -4.558   6.116
  368    HB   ILE  47           HB       ILE  47  28.629  -2.409   5.981
  369   1HG1  ILE  47          1HG1      ILE  47  28.415  -3.567   8.089
  370   2HG1  ILE  47          2HG1      ILE  47  27.191  -4.219   7.000
  371   1HG2  ILE  47          3HG2      ILE  47  29.156  -4.977   4.523
  372   2HG2  ILE  47          2HG2      ILE  47  27.489  -4.465   4.789
  373   3HG2  ILE  47          1HG2      ILE  47  28.597  -3.429   3.888
  374   1HD1  ILE  47          2HD1      ILE  47  29.271  -5.870   6.427
  375   2HD1  ILE  47          1HD1      ILE  47  29.609  -5.518   8.122
  376   3HD1  ILE  47          3HD1      ILE  47  28.062  -6.227   7.661
  377    H    LEU  48           H        LEU  48  31.324  -1.132   6.251
  378    HA   LEU  48           HA       LEU  48  31.583  -0.646   3.424
  379   1HB   LEU  48          2HB       LEU  48  31.471   1.024   5.460
  380   2HB   LEU  48          1HB       LEU  48  33.223   0.825   5.470
  381    HG   LEU  48           HG       LEU  48  32.737   2.714   4.061
  382   1HD1  LEU  48          2HD1      LEU  48  34.339   0.824   3.254
  383   2HD1  LEU  48          1HD1      LEU  48  33.075   0.476   2.074
  384   3HD1  LEU  48          3HD1      LEU  48  33.849   2.060   2.096
  385   1HD2  LEU  48          1HD2      LEU  48  30.608   0.888   2.991
  386   2HD2  LEU  48          3HD2      LEU  48  30.482   2.576   3.484
  387   3HD2  LEU  48          2HD2      LEU  48  31.258   2.160   1.957
  388    H    GLU  49           H        GLU  49  33.837  -1.717   5.946
  389    HA   GLU  49           HA       GLU  49  36.231  -1.584   4.410
  390   1HB   GLU  49          2HB       GLU  49  35.459  -3.558   6.582
  391   2HB   GLU  49          1HB       GLU  49  37.099  -3.288   5.991
  392   1HG   GLU  49          2HG       GLU  49  36.937  -0.909   6.676
  393   2HG   GLU  49          1HG       GLU  49  35.317  -1.213   7.304
  394    H    LYS  50           H        LYS  50  33.658  -3.996   4.518
  395    HA   LYS  50           HA       LYS  50  34.940  -6.133   3.190
  396   1HB   LYS  50          2HB       LYS  50  32.631  -6.200   4.170
  397   2HB   LYS  50          1HB       LYS  50  32.065  -5.252   2.794
  398   1HG   LYS  50          2HG       LYS  50  32.884  -7.022   1.260
  399   2HG   LYS  50          1HG       LYS  50  33.396  -7.976   2.653
  400   1HD   LYS  50          2HD       LYS  50  31.020  -7.927   3.474
  401   2HD   LYS  50          1HD       LYS  50  30.564  -7.138   1.964
  402   1HE   LYS  50          2HE       LYS  50  32.012  -9.268   1.037
  403   2HE   LYS  50          1HE       LYS  50  31.268  -9.960   2.478
  404   1HZ   LYS  50          3HZ       LYS  50  29.115  -9.150   1.675
  405   2HZ   LYS  50          2HZ       LYS  50  29.859  -8.581   0.257
  406   3HZ   LYS  50          1HZ       LYS  50  29.825 -10.246   0.593
  407    H    GLU  51           H        GLU  51  33.345  -3.254   1.831
  408    HA   GLU  51           HA       GLU  51  33.528  -3.970  -0.908
  409   1HB   GLU  51          2HB       GLU  51  32.281  -1.991  -0.016
  410   2HB   GLU  51          1HB       GLU  51  33.826  -1.189   0.266
  411   1HG   GLU  51          2HG       GLU  51  34.355  -1.452  -2.163
  412   2HG   GLU  51          1HG       GLU  51  32.746  -2.131  -2.408
  413    H    ALA  52           H        ALA  52  35.950  -2.701   1.310
  414    HA   ALA  52           HA       ALA  52  37.895  -1.922  -0.634
  415   1HB   ALA  52          2HB       ALA  52  39.525  -2.151   1.212
  416   2HB   ALA  52          1HB       ALA  52  38.073  -1.305   1.747
  417   3HB   ALA  52          3HB       ALA  52  38.313  -3.000   2.172
  418    H    LYS  53           H        LYS  53  36.968  -5.046   0.656
  419    HA   LYS  53           HA       LYS  53  39.267  -6.554  -0.048
  420   1HB   LYS  53          2HB       LYS  53  36.343  -7.360  -0.055
  421   2HB   LYS  53          1HB       LYS  53  37.690  -8.492  -0.177
  422   1HG   LYS  53          2HG       LYS  53  38.561  -7.614   1.999
  423   2HG   LYS  53          1HG       LYS  53  37.120  -6.605   2.129
  424   1HD   LYS  53          2HD       LYS  53  35.718  -8.672   1.987
  425   2HD   LYS  53          1HD       LYS  53  37.195  -9.635   1.996
  426   1HE   LYS  53          2HE       LYS  53  36.746  -7.601   4.161
  427   2HE   LYS  53          1HE       LYS  53  35.934  -9.163   4.259
  428   1HZ   LYS  53          2HZ       LYS  53  38.859  -8.781   3.913
  429   2HZ   LYS  53          1HZ       LYS  53  38.092  -9.164   5.380
  430   3HZ   LYS  53          3HZ       LYS  53  38.054 -10.267   4.092
  431    H    SER  54           H        SER  54  36.549  -5.422  -2.003
  432    HA   SER  54           HA       SER  54  37.102  -6.982  -4.336
  433   1HB   SER  54          2HB       SER  54  35.716  -5.382  -5.522
  434   2HB   SER  54          1HB       SER  54  35.002  -5.659  -3.933
  435    HG   SER  54           HG       SER  54  35.436  -3.379  -4.827
  436    H    GLN  55           H        GLN  55  38.586  -4.109  -3.015
  437    HA   GLN  55           HA       GLN  55  40.542  -4.182  -5.259
  438   1HB   GLN  55          2HB       GLN  55  39.180  -1.698  -4.174
  439   2HB   GLN  55          1HB       GLN  55  40.562  -1.679  -5.270
  440   1HG   GLN  55          2HG       GLN  55  39.262  -2.919  -6.951
  441   2HG   GLN  55          1HG       GLN  55  37.884  -2.983  -5.852
  442   1HE2  GLN  55          1HE2      GLN  55  37.710  -1.698  -8.422
  443   2HE2  GLN  55          2HE2      GLN  55  37.496  -0.034  -8.168

  No H/Q in entry =         443
  Start of MODEL   20
    1    H1   LYS   1          1H        LYS   1   0.316  -9.390  -0.029
    2    H2   LYS   1          3H        LYS   1   0.839 -10.970  -0.355
    3    H3   LYS   1          2H        LYS   1   1.048  -9.750  -1.519
    4    HA   LYS   1           HA       LYS   1  -1.019  -9.940  -2.302
    5   1HB   LYS   1          2HB       LYS   1  -0.862 -12.444  -0.595
    6   2HB   LYS   1          1HB       LYS   1  -2.020 -12.187  -1.900
    7   1HG   LYS   1          2HG       LYS   1  -0.101 -11.852  -3.471
    8   2HG   LYS   1          1HG       LYS   1   1.001 -12.256  -2.155
    9   1HD   LYS   1          2HD       LYS   1  -0.165 -14.456  -1.917
   10   2HD   LYS   1          1HD       LYS   1  -1.146 -14.051  -3.326
   11   1HE   LYS   1          2HE       LYS   1   0.516 -14.624  -4.740
   12   2HE   LYS   1          1HE       LYS   1   1.682 -13.634  -3.860
   13   1HZ   LYS   1          3HZ       LYS   1   0.783 -16.272  -2.865
   14   2HZ   LYS   1          2HZ       LYS   1   2.110 -16.106  -3.914
   15   3HZ   LYS   1          1HZ       LYS   1   2.138 -15.374  -2.381
   16    H    ASN   2           H        ASN   2  -1.825 -11.554   0.759
   17    HA   ASN   2           HA       ASN   2  -4.315 -10.262   1.079
   18   1HB   ASN   2          2HB       ASN   2  -2.452 -11.356   3.211
   19   2HB   ASN   2          1HB       ASN   2  -4.147 -10.945   3.471
   20   1HD2  ASN   2          1HD2      ASN   2  -3.210 -13.626   3.833
   21   2HD2  ASN   2          2HD2      ASN   2  -3.892 -14.602   2.623
   22    H    GLU   3           H        GLU   3  -1.082  -9.176   1.880
   23    HA   GLU   3           HA       GLU   3  -1.853  -7.044   3.658
   24   1HB   GLU   3          2HB       GLU   3   0.596  -7.444   1.916
   25   2HB   GLU   3          1HB       GLU   3   0.420  -6.113   3.061
   26   1HG   GLU   3          2HG       GLU   3   0.038  -7.802   4.876
   27   2HG   GLU   3          1HG       GLU   3   0.389  -9.076   3.707
   28    H    ASP   4           H        ASP   4  -1.420  -7.266   0.148
   29    HA   ASP   4           HA       ASP   4  -1.636  -4.498  -0.463
   30   1HB   ASP   4          2HB       ASP   4  -2.909  -6.571  -2.231
   31   2HB   ASP   4          1HB       ASP   4  -1.964  -5.151  -2.686
   32    H    GLN   5           H        GLN   5  -4.032  -6.836   0.518
   33    HA   GLN   5           HA       GLN   5  -6.384  -5.537  -0.419
   34   1HB   GLN   5          2HB       GLN   5  -6.296  -7.827   0.614
   35   2HB   GLN   5          1HB       GLN   5  -6.071  -7.058   2.185
   36   1HG   GLN   5          2HG       GLN   5  -8.212  -5.849   1.890
   37   2HG   GLN   5          1HG       GLN   5  -8.439  -6.646   0.333
   38   1HE2  GLN   5          1HE2      GLN   5 -10.452  -7.163   2.082
   39   2HE2  GLN   5          2HE2      GLN   5 -10.308  -8.707   2.771
   40    H    GLU   6           H        GLU   6  -4.463  -5.055   2.531
   41    HA   GLU   6           HA       GLU   6  -6.213  -3.194   3.798
   42   1HB   GLU   6          2HB       GLU   6  -3.184  -3.362   3.913
   43   2HB   GLU   6          1HB       GLU   6  -4.198  -2.462   5.042
   44   1HG   GLU   6          2HG       GLU   6  -5.334  -4.551   5.695
   45   2HG   GLU   6          1HG       GLU   6  -4.336  -5.455   4.555
   46    H    MET   7           H        MET   7  -3.685  -2.768   1.349
   47    HA   MET   7           HA       MET   7  -3.576   0.069   1.360
   48   1HB   MET   7          2HB       MET   7  -3.217  -1.929  -0.890
   49   2HB   MET   7          1HB       MET   7  -2.897  -0.204  -1.070
   50   1HG   MET   7          2HG       MET   7  -1.228  -0.289   0.711
   51   2HG   MET   7          1HG       MET   7  -1.596  -1.988   1.009
   52   1HE   MET   7          1HE       MET   7  -0.955   0.598  -1.390
   53   2HE   MET   7          3HE       MET   7   0.738   0.287  -1.796
   54   3HE   MET   7          2HE       MET   7  -0.542  -0.211  -2.899
   55    H    CYS   8           H        CYS   8  -5.975  -2.143   0.106
   56    HA   CYS   8           HA       CYS   8  -7.307  -0.191  -1.583
   57   1HB   CYS   8          2HB       CYS   8  -7.565  -2.611  -1.970
   58   2HB   CYS   8          1HB       CYS   8  -8.325  -2.788  -0.389
   59    H    HIS   9           H        HIS   9  -7.698  -1.333   1.752
   60    HA   HIS   9           HA       HIS   9 -10.139  -0.180   2.446
   61   1HB   HIS   9          2HB       HIS   9  -8.995  -1.408   4.132
   62   2HB   HIS   9          1HB       HIS   9  -7.550  -0.409   3.990
   63    HD1  HIS   9           HD1      HIS   9  -8.013   2.247   4.639
   64    HD2  HIS   9           HD2      HIS   9 -10.668  -0.579   6.170
   65    HE1  HIS   9           HE1      HIS   9  -9.215   3.365   6.565
   66    H    GLU  10           H        GLU  10  -6.949   1.444   2.522
   67    HA   GLU  10           HA       GLU  10  -7.907   4.022   3.215
   68   1HB   GLU  10          2HB       GLU  10  -5.497   3.132   1.616
   69   2HB   GLU  10          1HB       GLU  10  -5.791   4.820   2.032
   70   1HG   GLU  10          2HG       GLU  10  -5.482   2.515   3.979
   71   2HG   GLU  10          1HG       GLU  10  -4.328   3.821   3.713
   72    H    PHE  11           H        PHE  11  -7.733   2.379   0.088
   73    HA   PHE  11           HA       PHE  11  -8.539   4.800  -1.358
   74   1HB   PHE  11          2HB       PHE  11  -7.507   2.184  -2.048
   75   2HB   PHE  11          1HB       PHE  11  -8.928   2.566  -3.023
   76    HD1  PHE  11           HD1      PHE  11  -5.501   3.613  -2.119
   77    HD2  PHE  11           HD2      PHE  11  -8.932   4.453  -4.565
   78    HE1  PHE  11           HE1      PHE  11  -4.152   5.189  -3.473
   79    HE2  PHE  11           HE2      PHE  11  -7.579   6.029  -5.918
   80    HZ   PHE  11           HZ       PHE  11  -5.189   6.395  -5.372
   81    H    GLN  12           H        GLN  12 -10.189   2.969   0.716
   82    HA   GLN  12           HA       GLN  12 -12.630   2.557  -0.888
   83   1HB   GLN  12          2HB       GLN  12 -11.946   2.120   2.031
   84   2HB   GLN  12          1HB       GLN  12 -13.577   1.903   1.398
   85   1HG   GLN  12          2HG       GLN  12 -12.772   0.218  -0.183
   86   2HG   GLN  12          1HG       GLN  12 -11.111   0.478   0.351
   87   1HE2  GLN  12          1HE2      GLN  12 -12.419  -2.094   0.563
   88   2HE2  GLN  12          2HE2      GLN  12 -12.595  -2.453   2.213
   89    H    ALA  13           H        ALA  13 -11.285   4.849   1.405
   90    HA   ALA  13           HA       ALA  13 -13.798   6.270   1.828
   91   1HB   ALA  13          1HB       ALA  13 -12.439   7.906   3.004
   92   2HB   ALA  13          3HB       ALA  13 -11.890   6.295   3.465
   93   3HB   ALA  13          2HB       ALA  13 -10.964   7.242   2.301
   94    H    PHE  14           H        PHE  14 -11.323   6.232  -0.571
   95    HA   PHE  14           HA       PHE  14 -11.860   8.926  -1.583
   96   1HB   PHE  14          2HB       PHE  14 -10.252   6.573  -2.588
   97   2HB   PHE  14          1HB       PHE  14 -10.498   8.012  -3.577
   98    HD1  PHE  14           HD1      PHE  14  -9.718  10.250  -2.739
   99    HD2  PHE  14           HD2      PHE  14  -8.739   6.576  -0.740
  100    HE1  PHE  14           HE1      PHE  14  -7.893  11.401  -1.516
  101    HE2  PHE  14           HE2      PHE  14  -6.915   7.727   0.484
  102    HZ   PHE  14           HZ       PHE  14  -6.492  10.140   0.096
  103    H    MET  15           H        MET  15 -13.767   6.304  -1.513
  104    HA   MET  15           HA       MET  15 -14.605   6.185  -4.309
  105   1HB   MET  15          2HB       MET  15 -15.222   4.786  -1.812
  106   2HB   MET  15          1HB       MET  15 -16.652   5.081  -2.800
  107   1HG   MET  15          2HG       MET  15 -15.432   4.117  -4.762
  108   2HG   MET  15          1HG       MET  15 -14.093   3.717  -3.687
  109   1HE   MET  15          3HE       MET  15 -14.780   2.890  -1.278
  110   2HE   MET  15          2HE       MET  15 -16.500   3.222  -1.087
  111   3HE   MET  15          1HE       MET  15 -15.916   1.563  -0.996
  112    H    LYS  16           H        LYS  16 -16.313   7.301  -5.230
  113    HA   LYS  16           HA       LYS  16 -17.956   9.020  -3.422
  114   1HB   LYS  16          2HB       LYS  16 -16.598   9.834  -6.006
  115   2HB   LYS  16          1HB       LYS  16 -17.838  10.798  -5.204
  116   1HG   LYS  16          2HG       LYS  16 -16.400  10.771  -3.131
  117   2HG   LYS  16          1HG       LYS  16 -15.132  10.008  -4.091
  118   1HD   LYS  16          2HD       LYS  16 -15.231  11.945  -5.672
  119   2HD   LYS  16          1HD       LYS  16 -16.396  12.719  -4.598
  120   1HE   LYS  16          2HE       LYS  16 -14.814  13.162  -2.977
  121   2HE   LYS  16          1HE       LYS  16 -13.844  11.748  -3.389
  122   1HZ   LYS  16          2HZ       LYS  16 -14.073  13.836  -5.411
  123   2HZ   LYS  16          1HZ       LYS  16 -13.128  14.194  -4.046
  124   3HZ   LYS  16          3HZ       LYS  16 -12.748  12.852  -5.010
  125    H    ASN  17           H        ASN  17 -20.120   9.189  -4.026
  126    HA   ASN  17           HA       ASN  17 -22.109   8.447  -5.039
  127   1HB   ASN  17          2HB       ASN  17 -20.357   8.827  -7.488
  128   2HB   ASN  17          1HB       ASN  17 -22.111   8.648  -7.522
  129   1HD2  ASN  17          1HD2      ASN  17 -20.811  11.039  -8.470
  130   2HD2  ASN  17          2HD2      ASN  17 -21.229  12.315  -7.432
  131    H    GLY  18           H        GLY  18 -19.924   6.427  -4.356
  132   1HA   GLY  18          1HA       GLY  18 -21.239   4.140  -5.631
  133   2HA   GLY  18          2HA       GLY  18 -19.961   4.055  -4.417
  134    H    LYS  19           H        LYS  19 -18.250   5.933  -5.950
  135    HA   LYS  19           HA       LYS  19 -17.261   3.966  -7.957
  136   1HB   LYS  19          2HB       LYS  19 -18.615   5.981  -8.929
  137   2HB   LYS  19          1HB       LYS  19 -17.177   6.919  -8.532
  138   1HG   LYS  19          2HG       LYS  19 -16.366   4.485  -9.822
  139   2HG   LYS  19          1HG       LYS  19 -17.606   5.261 -10.806
  140   1HD   LYS  19          2HD       LYS  19 -16.225   7.442 -10.359
  141   2HD   LYS  19          1HD       LYS  19 -14.919   6.324  -9.967
  142   1HE   LYS  19          2HE       LYS  19 -14.509   6.103 -12.171
  143   2HE   LYS  19          1HE       LYS  19 -16.097   5.358 -12.352
  144   1HZ   LYS  19          3HZ       LYS  19 -16.522   8.085 -12.131
  145   2HZ   LYS  19          2HZ       LYS  19 -15.223   7.903 -13.211
  146   3HZ   LYS  19          1HZ       LYS  19 -16.702   7.124 -13.517
  147    H    LEU  20           H        LEU  20 -15.018   3.818  -8.003
  148    HA   LEU  20           HA       LEU  20 -13.594   5.195  -5.827
  149   1HB   LEU  20          2HB       LEU  20 -13.158   2.819  -6.164
  150   2HB   LEU  20          1HB       LEU  20 -12.690   3.113  -7.839
  151    HG   LEU  20           HG       LEU  20 -10.911   4.708  -6.882
  152   1HD1  LEU  20          1HD1      LEU  20 -12.257   3.985  -4.490
  153   2HD1  LEU  20          3HD1      LEU  20 -10.653   3.254  -4.412
  154   3HD1  LEU  20          2HD1      LEU  20 -10.819   4.993  -4.651
  155   1HD2  LEU  20          1HD2      LEU  20 -10.673   2.232  -7.708
  156   2HD2  LEU  20          3HD2      LEU  20  -9.345   2.965  -6.807
  157   3HD2  LEU  20          2HD2      LEU  20 -10.462   1.868  -5.996
  158    H    PHE  21           H        PHE  21 -13.114   7.301  -6.362
  159    HA   PHE  21           HA       PHE  21 -12.157   7.932  -9.088
  160   1HB   PHE  21          2HB       PHE  21 -12.861   9.601  -6.670
  161   2HB   PHE  21          1HB       PHE  21 -12.061  10.300  -8.078
  162    HD1  PHE  21           HD1      PHE  21 -13.194  10.390 -10.263
  163    HD2  PHE  21           HD2      PHE  21 -15.161   8.820  -6.781
  164    HE1  PHE  21           HE1      PHE  21 -15.378  10.533 -11.431
  165    HE2  PHE  21           HE2      PHE  21 -17.343   8.962  -7.950
  166    HZ   PHE  21           HZ       PHE  21 -17.452   9.818 -10.274
  167    H    CYS  22           H        CYS  22 -10.030   7.475  -9.426
  168    HA   CYS  22           HA       CYS  22  -8.056   7.157  -7.422
  169   1HB   CYS  22          2HB       CYS  22  -7.738   7.961 -10.328
  170   2HB   CYS  22          1HB       CYS  22  -6.415   7.440  -9.286
  171    HA   PRO  23           HA       PRO  23  -7.342  11.377  -6.176
  172   1HB   PRO  23          2HB       PRO  23  -5.043  10.951  -4.821
  173   2HB   PRO  23          1HB       PRO  23  -6.627  10.503  -4.184
  174   1HG   PRO  23          2HG       PRO  23  -4.564   8.792  -5.519
  175   2HG   PRO  23          1HG       PRO  23  -5.548   8.440  -4.095
  176   1HD   PRO  23          2HD       PRO  23  -6.151   7.460  -6.547
  177   2HD   PRO  23          1HD       PRO  23  -7.391   7.850  -5.355
  178    H    GLN  24           H        GLN  24  -5.906  13.105  -6.724
  179    HA   GLN  24           HA       GLN  24  -4.104  12.463  -9.000
  180   1HB   GLN  24          2HB       GLN  24  -5.090  15.153  -8.001
  181   2HB   GLN  24          1HB       GLN  24  -4.188  14.862  -9.489
  182   1HG   GLN  24          2HG       GLN  24  -5.994  13.572 -10.422
  183   2HG   GLN  24          1HG       GLN  24  -6.856  13.563  -8.883
  184   1HE2  GLN  24          1HE2      GLN  24  -8.074  14.602 -11.262
  185   2HE2  GLN  24          2HE2      GLN  24  -8.274  16.276 -11.074
  186    H    ASP  25           H        ASP  25  -3.633  12.318  -5.893
  187    HA   ASP  25           HA       ASP  25  -1.653  14.230  -5.199
  188   1HB   ASP  25          2HB       ASP  25  -0.893  12.548  -3.541
  189   2HB   ASP  25          1HB       ASP  25  -2.650  12.702  -3.551
  190    H    LYS  26           H        LYS  26   0.719  13.869  -5.082
  191    HA   LYS  26           HA       LYS  26   1.666  12.509  -7.551
  192   1HB   LYS  26          2HB       LYS  26   3.045  14.482  -5.704
  193   2HB   LYS  26          1HB       LYS  26   3.755  13.805  -7.170
  194   1HG   LYS  26          2HG       LYS  26   1.862  14.756  -8.484
  195   2HG   LYS  26          1HG       LYS  26   1.244  15.500  -7.010
  196   1HD   LYS  26          2HD       LYS  26   3.412  16.713  -6.762
  197   2HD   LYS  26          1HD       LYS  26   3.936  16.033  -8.302
  198   1HE   LYS  26          2HE       LYS  26   1.297  17.433  -8.227
  199   2HE   LYS  26          1HE       LYS  26   2.754  18.425  -8.167
  200   1HZ   LYS  26          3HZ       LYS  26   2.587  16.279 -10.159
  201   2HZ   LYS  26          2HZ       LYS  26   1.723  17.716 -10.437
  202   3HZ   LYS  26          1HZ       LYS  26   3.410  17.760 -10.235
  203    H    LYS  27           H        LYS  27   1.106  11.504  -4.566
  204    HA   LYS  27           HA       LYS  27   3.544  10.531  -3.511
  205   1HB   LYS  27          2HB       LYS  27   0.722   9.454  -3.414
  206   2HB   LYS  27          1HB       LYS  27   2.053   8.656  -2.575
  207   1HG   LYS  27          2HG       LYS  27   2.282  10.353  -1.038
  208   2HG   LYS  27          1HG       LYS  27   1.784  11.598  -2.183
  209   1HD   LYS  27          2HD       LYS  27  -0.120  11.551  -0.893
  210   2HD   LYS  27          1HD       LYS  27  -0.534  10.248  -2.008
  211   1HE   LYS  27          2HE       LYS  27   0.844   9.861   0.667
  212   2HE   LYS  27          1HE       LYS  27  -0.876   9.601   0.376
  213   1HZ   LYS  27          3HZ       LYS  27  -0.080   8.058  -1.479
  214   2HZ   LYS  27          2HZ       LYS  27   1.425   8.093  -0.691
  215   3HZ   LYS  27          1HZ       LYS  27   0.052   7.508   0.120
  216    HA   PRO  28           HA       PRO  28   4.745   7.664  -6.714
  217   1HB   PRO  28          2HB       PRO  28   6.760   6.472  -5.371
  218   2HB   PRO  28          1HB       PRO  28   6.897   8.085  -6.073
  219   1HG   PRO  28          2HG       PRO  28   6.379   7.286  -3.238
  220   2HG   PRO  28          1HG       PRO  28   7.418   8.571  -3.859
  221   1HD   PRO  28          1HD       PRO  28   4.939   9.040  -2.847
  222   2HD   PRO  28          2HD       PRO  28   5.664  10.043  -4.103
  223    H    ILE  29           H        ILE  29   3.511   5.888  -7.118
  224    HA   ILE  29           HA       ILE  29   3.223   3.873  -4.924
  225    HB   ILE  29           HB       ILE  29   1.196   3.262  -6.672
  226   1HG1  ILE  29          2HG1      ILE  29   0.049   5.539  -6.982
  227   2HG1  ILE  29          1HG1      ILE  29   1.638   6.253  -6.712
  228   1HG2  ILE  29          3HG2      ILE  29   1.482   4.111  -4.030
  229   2HG2  ILE  29          2HG2      ILE  29   0.334   5.253  -4.729
  230   3HG2  ILE  29          1HG2      ILE  29  -0.001   3.521  -4.782
  231   1HD1  ILE  29          1HD1      ILE  29   1.910   4.086  -8.574
  232   2HD1  ILE  29          3HD1      ILE  29   0.606   5.140  -9.124
  233   3HD1  ILE  29          2HD1      ILE  29   2.216   5.802  -8.842
  234    H    GLN  30           H        GLN  30   2.693   1.623  -5.982
  235    HA   GLN  30           HA       GLN  30   4.100   1.212  -8.549
  236   1HB   GLN  30          2HB       GLN  30   5.885   1.052  -6.852
  237   2HB   GLN  30          1HB       GLN  30   4.946  -0.157  -5.974
  238   1HG   GLN  30          2HG       GLN  30   5.074  -1.689  -7.863
  239   2HG   GLN  30          1HG       GLN  30   5.873  -0.461  -8.846
  240   1HE2  GLN  30          1HE2      GLN  30   7.441  -2.579  -8.755
  241   2HE2  GLN  30          2HE2      GLN  30   8.663  -2.474  -7.582
  242    H    SER  31           H        SER  31   2.757  -0.109  -9.684
  243    HA   SER  31           HA       SER  31   0.673  -1.602  -8.304
  244   1HB   SER  31          2HB       SER  31   0.684  -0.437 -10.681
  245   2HB   SER  31          1HB       SER  31   1.259  -2.024 -11.190
  246    HG   SER  31           HG       SER  31  -0.587  -2.930 -10.548
  247    H    LEU  32           H        LEU  32   0.358  -3.856  -8.400
  248    HA   LEU  32           HA       LEU  32   2.879  -5.412  -8.425
  249   1HB   LEU  32          2HB       LEU  32   0.051  -6.099  -7.557
  250   2HB   LEU  32          1HB       LEU  32   1.418  -7.206  -7.451
  251    HG   LEU  32           HG       LEU  32   2.594  -5.571  -5.995
  252   1HD1  LEU  32          3HD1      LEU  32   0.089  -4.008  -6.537
  253   2HD1  LEU  32          2HD1      LEU  32   0.912  -3.810  -4.989
  254   3HD1  LEU  32          1HD1      LEU  32   1.762  -3.449  -6.493
  255   1HD2  LEU  32          1HD2      LEU  32   0.886  -7.391  -5.204
  256   2HD2  LEU  32          3HD2      LEU  32   1.427  -6.174  -4.047
  257   3HD2  LEU  32          2HD2      LEU  32  -0.145  -6.009  -4.830
  258    H    ASP  33           H        ASP  33   0.120  -4.756 -10.342
  259    HA   ASP  33           HA       ASP  33  -0.002  -7.243 -11.802
  260   1HB   ASP  33          2HB       ASP  33  -0.905  -4.472 -12.638
  261   2HB   ASP  33          1HB       ASP  33  -1.400  -5.991 -13.385
  262    H    GLY  34           H        GLY  34   2.341  -4.850 -11.697
  263   1HA   GLY  34          1HA       GLY  34   3.437  -5.765 -14.312
  264   2HA   GLY  34          2HA       GLY  34   4.388  -5.071 -12.997
  265    H    ILE  35           H        ILE  35   2.124  -3.015 -12.685
  266    HA   ILE  35           HA       ILE  35   2.982  -1.271 -14.965
  267    HB   ILE  35           HB       ILE  35   0.741  -0.182 -14.780
  268   1HG1  ILE  35          2HG1      ILE  35   0.368  -2.367 -12.725
  269   2HG1  ILE  35          1HG1      ILE  35   0.148  -0.631 -12.510
  270   1HG2  ILE  35          3HG2      ILE  35   0.880  -3.162 -15.300
  271   2HG2  ILE  35          2HG2      ILE  35  -0.558  -2.205 -15.656
  272   3HG2  ILE  35          1HG2      ILE  35   0.959  -1.856 -16.482
  273   1HD1  ILE  35          2HD1      ILE  35  -1.522  -2.295 -14.408
  274   2HD1  ILE  35          1HD1      ILE  35  -1.993  -1.965 -12.740
  275   3HD1  ILE  35          3HD1      ILE  35  -1.821  -0.636 -13.888
  276    H    MET  36           H        MET  36   3.451   0.914 -14.406
  277    HA   MET  36           HA       MET  36   4.051   1.316 -11.535
  278   1HB   MET  36          2HB       MET  36   4.717   2.913 -14.025
  279   2HB   MET  36          1HB       MET  36   5.153   3.428 -12.396
  280   1HG   MET  36          2HG       MET  36   6.385   1.286 -12.082
  281   2HG   MET  36          1HG       MET  36   6.004   0.848 -13.747
  282   1HE   MET  36          1HE       MET  36   6.843   3.676 -11.637
  283   2HE   MET  36          3HE       MET  36   8.593   3.417 -11.612
  284   3HE   MET  36          2HE       MET  36   7.907   4.736 -12.557
  285    H    PHE  37           H        PHE  37   1.257   1.352 -12.585
  286    HA   PHE  37           HA       PHE  37   0.485   4.195 -12.317
  287   1HB   PHE  37          2HB       PHE  37  -0.670   2.937 -14.032
  288   2HB   PHE  37          1HB       PHE  37  -1.103   1.677 -12.875
  289    HD1  PHE  37           HD1      PHE  37  -2.751   2.131 -11.078
  290    HD2  PHE  37           HD2      PHE  37  -1.866   5.037 -14.115
  291    HE1  PHE  37           HE1      PHE  37  -4.797   3.390 -10.469
  292    HE2  PHE  37           HE2      PHE  37  -3.914   6.296 -13.507
  293    HZ   PHE  37           HZ       PHE  37  -5.381   5.472 -11.684
  294    H    ILE  38           H        ILE  38  -1.246   4.764 -10.740
  295    HA   ILE  38           HA       ILE  38  -0.641   4.206  -8.088
  296    HB   ILE  38           HB       ILE  38  -3.450   4.648  -9.146
  297   1HG1  ILE  38          2HG1      ILE  38  -1.334   6.669  -8.342
  298   2HG1  ILE  38          1HG1      ILE  38  -1.846   6.342  -9.997
  299   1HG2  ILE  38          1HG2      ILE  38  -2.928   3.965  -6.666
  300   2HG2  ILE  38          3HG2      ILE  38  -2.349   5.625  -6.524
  301   3HG2  ILE  38          2HG2      ILE  38  -4.024   5.312  -6.977
  302   1HD1  ILE  38          3HD1      ILE  38  -4.106   6.860  -8.213
  303   2HD1  ILE  38          2HD1      ILE  38  -2.984   8.219  -8.293
  304   3HD1  ILE  38          1HD1      ILE  38  -3.716   7.592  -9.769
  305    H    ASN  39           H        ASN  39  -0.264   2.075  -7.510
  306    HA   ASN  39           HA       ASN  39  -1.738  -0.179  -8.397
  307   1HB   ASN  39          2HB       ASN  39   0.469  -0.224  -7.161
  308   2HB   ASN  39          1HB       ASN  39  -0.433   0.092  -5.681
  309   1HD2  ASN  39          1HD2      ASN  39  -1.215  -2.029  -8.494
  310   2HD2  ASN  39          2HD2      ASN  39  -1.412  -3.436  -7.574
  311    H    LYS  40           H        LYS  40  -2.017   1.482  -5.236
  312    HA   LYS  40           HA       LYS  40  -4.134   0.120  -4.152
  313   1HB   LYS  40          2HB       LYS  40  -3.919   3.137  -4.150
  314   2HB   LYS  40          1HB       LYS  40  -4.734   2.139  -2.946
  315   1HG   LYS  40          2HG       LYS  40  -2.519   1.025  -2.486
  316   2HG   LYS  40          1HG       LYS  40  -1.764   2.215  -3.546
  317   1HD   LYS  40          2HD       LYS  40  -2.713   4.028  -2.107
  318   2HD   LYS  40          1HD       LYS  40  -3.319   2.789  -1.007
  319   1HE   LYS  40          2HE       LYS  40  -1.227   2.289  -0.204
  320   2HE   LYS  40          1HE       LYS  40  -0.442   2.615  -1.749
  321   1HZ   LYS  40          1HZ       LYS  40  -1.383   5.039  -1.038
  322   2HZ   LYS  40          3HZ       LYS  40  -0.948   4.385   0.465
  323   3HZ   LYS  40          2HZ       LYS  40   0.206   4.499  -0.778
  324    H    CYS  41           H        CYS  41  -4.611   3.007  -6.203
  325    HA   CYS  41           HA       CYS  41  -7.428   2.671  -6.453
  326   1HB   CYS  41          2HB       CYS  41  -5.747   4.615  -7.193
  327   2HB   CYS  41          1HB       CYS  41  -5.911   3.809  -8.749
  328    H    ALA  42           H        ALA  42  -4.757   1.404  -8.405
  329    HA   ALA  42           HA       ALA  42  -6.511   0.263 -10.420
  330   1HB   ALA  42          3HB       ALA  42  -4.552   0.203 -11.506
  331   2HB   ALA  42          1HB       ALA  42  -4.033  -1.103 -10.441
  332   3HB   ALA  42          2HB       ALA  42  -3.683   0.572 -10.017
  333    H    THR  43           H        THR  43  -5.090  -0.972  -7.412
  334    HA   THR  43           HA       THR  43  -6.184  -3.661  -8.084
  335    HB   THR  43           HB       THR  43  -4.930  -4.136  -5.780
  336    HG1  THR  43           HG1      THR  43  -4.290  -2.106  -5.289
  337   1HG2  THR  43          3HG2      THR  43  -4.425  -5.016  -8.107
  338   2HG2  THR  43          2HG2      THR  43  -3.353  -3.632  -8.317
  339   3HG2  THR  43          1HG2      THR  43  -3.016  -4.826  -7.064
  340    H    CYS  44           H        CYS  44  -6.502  -1.007  -5.796
  341    HA   CYS  44           HA       CYS  44  -8.193  -2.319  -3.900
  342   1HB   CYS  44          2HB       CYS  44  -7.167  -0.135  -3.433
  343   2HB   CYS  44          1HB       CYS  44  -8.109   0.600  -4.729
  344    H    LYS  45           H        LYS  45  -8.794  -0.989  -7.084
  345    HA   LYS  45           HA       LYS  45 -11.592  -0.613  -6.967
  346   1HB   LYS  45          2HB       LYS  45  -9.970  -0.166  -8.928
  347   2HB   LYS  45          1HB       LYS  45 -10.214  -1.861  -9.347
  348   1HG   LYS  45          2HG       LYS  45 -12.667  -1.465  -9.427
  349   2HG   LYS  45          1HG       LYS  45 -12.386   0.240  -9.075
  350   1HD   LYS  45          2HD       LYS  45 -11.176   0.544 -11.137
  351   2HD   LYS  45          1HD       LYS  45 -11.157  -1.192 -11.444
  352   1HE   LYS  45          2HE       LYS  45 -13.285  -1.195 -12.252
  353   2HE   LYS  45          1HE       LYS  45 -13.849  -0.052 -11.033
  354   1HZ   LYS  45          2HZ       LYS  45 -12.163   0.705 -13.354
  355   2HZ   LYS  45          1HZ       LYS  45 -13.857   0.826 -13.338
  356   3HZ   LYS  45          3HZ       LYS  45 -12.933   1.750 -12.257
  357    H    MET  46           H        MET  46  -9.785  -3.588  -7.791
  358    HA   MET  46           HA       MET  46 -12.178  -5.211  -7.929
  359   1HB   MET  46          2HB       MET  46  -9.273  -6.003  -7.536
  360   2HB   MET  46          1HB       MET  46 -10.586  -7.120  -7.906
  361   1HG   MET  46          2HG       MET  46 -11.024  -5.909 -10.013
  362   2HG   MET  46          1HG       MET  46  -9.713  -4.789  -9.642
  363   1HE   MET  46          2HE       MET  46  -8.860  -5.195 -11.881
  364   2HE   MET  46          1HE       MET  46  -8.063  -6.647 -12.482
  365   3HE   MET  46          3HE       MET  46  -9.829  -6.566 -12.417
  366    H    ILE  47           H        ILE  47  -9.695  -4.613  -5.456
  367    HA   ILE  47           HA       ILE  47 -10.795  -6.410  -3.502
  368    HB   ILE  47           HB       ILE  47  -9.198  -3.879  -3.010
  369   1HG1  ILE  47          2HG1      ILE  47  -8.203  -6.704  -3.480
  370   2HG1  ILE  47          1HG1      ILE  47  -8.132  -5.409  -4.675
  371   1HG2  ILE  47          1HG2      ILE  47  -9.820  -6.356  -1.404
  372   2HG2  ILE  47          3HG2      ILE  47  -8.387  -5.387  -1.063
  373   3HG2  ILE  47          2HG2      ILE  47  -9.991  -4.667  -0.927
  374   1HD1  ILE  47          3HD1      ILE  47  -7.058  -4.518  -2.132
  375   2HD1  ILE  47          2HD1      ILE  47  -6.225  -5.971  -2.685
  376   3HD1  ILE  47          1HD1      ILE  47  -6.284  -4.541  -3.717
  377    H    LEU  48           H        LEU  48 -11.693  -3.251  -4.614
  378    HA   LEU  48           HA       LEU  48 -13.141  -2.369  -2.285
  379   1HB   LEU  48          2HB       LEU  48 -12.463  -1.109  -4.531
  380   2HB   LEU  48          1HB       LEU  48 -14.057  -1.649  -5.049
  381    HG   LEU  48           HG       LEU  48 -14.501   0.450  -4.089
  382   1HD1  LEU  48          1HD1      LEU  48 -15.905  -1.369  -3.103
  383   2HD1  LEU  48          3HD1      LEU  48 -14.776  -1.463  -1.752
  384   3HD1  LEU  48          2HD1      LEU  48 -15.708   0.009  -2.021
  385   1HD2  LEU  48          1HD2      LEU  48 -12.397  -0.330  -2.069
  386   2HD2  LEU  48          3HD2      LEU  48 -12.413   1.060  -3.156
  387   3HD2  LEU  48          2HD2      LEU  48 -13.506   1.009  -1.773
  388    H    GLU  49           H        GLU  49 -13.956  -4.384  -5.071
  389    HA   GLU  49           HA       GLU  49 -16.784  -4.529  -4.534
  390   1HB   GLU  49          2HB       GLU  49 -14.961  -6.476  -5.981
  391   2HB   GLU  49          1HB       GLU  49 -16.724  -6.519  -6.021
  392   1HG   GLU  49          2HG       GLU  49 -16.751  -4.245  -6.992
  393   2HG   GLU  49          1HG       GLU  49 -14.988  -4.216  -6.964
  394    H    LYS  50           H        LYS  50 -13.985  -6.254  -3.304
  395    HA   LYS  50           HA       LYS  50 -15.336  -8.499  -2.173
  396   1HB   LYS  50          2HB       LYS  50 -12.832  -7.049  -1.263
  397   2HB   LYS  50          1HB       LYS  50 -13.366  -8.605  -0.627
  398   1HG   LYS  50          2HG       LYS  50 -13.311  -9.516  -2.962
  399   2HG   LYS  50          1HG       LYS  50 -12.629  -7.982  -3.503
  400   1HD   LYS  50          2HD       LYS  50 -10.750  -8.307  -1.876
  401   2HD   LYS  50          1HD       LYS  50 -11.404  -9.900  -1.498
  402   1HE   LYS  50          2HE       LYS  50 -11.307  -9.867  -4.282
  403   2HE   LYS  50          1HE       LYS  50  -9.822  -9.046  -3.800
  404   1HZ   LYS  50          2HZ       LYS  50 -10.525 -11.461  -2.332
  405   2HZ   LYS  50          1HZ       LYS  50 -10.017 -11.671  -3.940
  406   3HZ   LYS  50          3HZ       LYS  50  -9.002 -10.893  -2.826
  407    H    GLU  51           H        GLU  51 -14.841  -5.199  -1.003
  408    HA   GLU  51           HA       GLU  51 -15.661  -5.557   1.686
  409   1HB   GLU  51          2HB       GLU  51 -14.712  -3.443   0.729
  410   2HB   GLU  51          1HB       GLU  51 -16.253  -3.163  -0.080
  411   1HG   GLU  51          2HG       GLU  51 -17.384  -3.239   2.149
  412   2HG   GLU  51          1HG       GLU  51 -15.800  -3.384   2.911
  413    H    ALA  52           H        ALA  52 -17.534  -5.351  -1.286
  414    HA   ALA  52           HA       ALA  52 -20.101  -4.919  -0.099
  415   1HB   ALA  52          1HB       ALA  52 -20.842  -6.225  -2.263
  416   2HB   ALA  52          2HB       ALA  52 -19.139  -6.080  -2.698
  417   3HB   ALA  52          3HB       ALA  52 -20.104  -4.631  -2.416
  418    H    LYS  53           H        LYS  53 -18.090  -7.765  -0.419
  419    HA   LYS  53           HA       LYS  53 -20.117  -9.745   0.017
  420   1HB   LYS  53          2HB       LYS  53 -17.155  -9.754   0.672
  421   2HB   LYS  53          1HB       LYS  53 -18.197 -11.173   0.781
  422   1HG   LYS  53          2HG       LYS  53 -18.786 -10.860  -1.634
  423   2HG   LYS  53          1HG       LYS  53 -17.613  -9.545  -1.711
  424   1HD   LYS  53          2HD       LYS  53 -15.844 -11.146  -0.952
  425   2HD   LYS  53          1HD       LYS  53 -17.034 -12.445  -1.036
  426   1HE   LYS  53          2HE       LYS  53 -17.415 -11.628  -3.478
  427   2HE   LYS  53          1HE       LYS  53 -15.864 -10.812  -3.283
  428   1HZ   LYS  53          1HZ       LYS  53 -16.298 -13.701  -2.765
  429   2HZ   LYS  53          3HZ       LYS  53 -15.700 -13.081  -4.225
  430   3HZ   LYS  53          2HZ       LYS  53 -14.812 -12.877  -2.791
  431    H    SER  54           H        SER  54 -18.285  -7.670   2.195
  432    HA   SER  54           HA       SER  54 -18.868  -9.025   4.637
  433   1HB   SER  54          2HB       SER  54 -18.314  -6.935   5.734
  434   2HB   SER  54          1HB       SER  54 -17.223  -7.140   4.364
  435    HG   SER  54           HG       SER  54 -18.483  -5.041   4.742
  436    H    GLN  55           H        GLN  55 -20.801  -6.942   2.597
  437    HA   GLN  55           HA       GLN  55 -22.966  -6.987   4.658
  438   1HB   GLN  55          2HB       GLN  55 -22.228  -4.736   3.838
  439   2HB   GLN  55          1HB       GLN  55 -22.730  -5.206   2.213
  440   1HG   GLN  55          2HG       GLN  55 -25.031  -5.633   3.107
  441   2HG   GLN  55          1HG       GLN  55 -24.501  -5.006   4.667
  442   1HE2  GLN  55          1HE2      GLN  55 -25.052  -2.842   4.925
  443   2HE2  GLN  55          2HE2      GLN  55 -25.129  -1.695   3.676

  No H/Q in entry =         443
  Start of MODEL   21
    1    H1   LYS   1          2H        LYS   1  -9.964  -3.145  20.961
    2    H2   LYS   1          1H        LYS   1  -8.538  -3.058  21.879
    3    H3   LYS   1          3H        LYS   1  -8.536  -3.864  20.388
    4    HA   LYS   1           HA       LYS   1  -8.621  -5.597  21.904
    5   1HB   LYS   1          2HB       LYS   1  -9.052  -4.070  23.850
    6   2HB   LYS   1          1HB       LYS   1 -10.756  -4.042  23.395
    7   1HG   LYS   1          2HG       LYS   1 -10.832  -6.517  23.621
    8   2HG   LYS   1          1HG       LYS   1  -9.147  -6.504  24.143
    9   1HD   LYS   1          2HD       LYS   1  -9.807  -4.975  26.023
   10   2HD   LYS   1          1HD       LYS   1 -11.491  -5.180  25.540
   11   1HE   LYS   1          2HE       LYS   1 -11.611  -7.158  26.612
   12   2HE   LYS   1          1HE       LYS   1 -10.193  -7.757  25.750
   13   1HZ   LYS   1          2HZ       LYS   1  -9.986  -5.907  28.052
   14   2HZ   LYS   1          1HZ       LYS   1 -10.004  -7.596  28.243
   15   3HZ   LYS   1          3HZ       LYS   1  -8.762  -6.857  27.355
   16    H    ASN   2           H        ASN   2  -9.464  -6.802  20.196
   17    HA   ASN   2           HA       ASN   2 -11.102  -7.962  18.981
   18   1HB   ASN   2          2HB       ASN   2 -12.837  -7.052  21.299
   19   2HB   ASN   2          1HB       ASN   2 -13.306  -8.255  20.097
   20   1HD2  ASN   2          1HD2      ASN   2 -13.118  -8.950  22.865
   21   2HD2  ASN   2          2HD2      ASN   2 -11.814 -10.019  23.066
   22    H    GLU   3           H        GLU   3 -10.550  -5.268  18.240
   23    HA   GLU   3           HA       GLU   3 -12.877  -3.656  17.909
   24   1HB   GLU   3          2HB       GLU   3 -10.396  -3.879  16.178
   25   2HB   GLU   3          1HB       GLU   3 -11.602  -2.600  16.036
   26   1HG   GLU   3          2HG       GLU   3 -10.003  -3.220  18.539
   27   2HG   GLU   3          1HG       GLU   3  -9.673  -1.891  17.428
   28    H    ASP   4           H        ASP   4 -11.703  -6.455  16.155
   29    HA   ASP   4           HA       ASP   4 -13.197  -6.169  13.758
   30   1HB   ASP   4          2HB       ASP   4 -12.108  -8.509  15.288
   31   2HB   ASP   4          1HB       ASP   4 -13.194  -8.803  13.929
   32    H    GLN   5           H        GLN   5 -14.113  -7.476  16.920
   33    HA   GLN   5           HA       GLN   5 -16.666  -8.498  16.185
   34   1HB   GLN   5          2HB       GLN   5 -15.740  -7.293  18.810
   35   2HB   GLN   5          1HB       GLN   5 -17.235  -8.204  18.598
   36   1HG   GLN   5          2HG       GLN   5 -15.953 -10.170  17.869
   37   2HG   GLN   5          1HG       GLN   5 -14.450  -9.261  18.022
   38   1HE2  GLN   5          1HE2      GLN   5 -14.865 -11.634  19.551
   39   2HE2  GLN   5          2HE2      GLN   5 -15.011 -11.208  21.187
   40    H    GLU   6           H        GLU   6 -15.613  -5.238  17.089
   41    HA   GLU   6           HA       GLU   6 -18.275  -4.115  17.160
   42   1HB   GLU   6          2HB       GLU   6 -15.575  -2.798  16.726
   43   2HB   GLU   6          1HB       GLU   6 -17.081  -1.930  17.025
   44   1HG   GLU   6          2HG       GLU   6 -17.320  -3.137  19.185
   45   2HG   GLU   6          1HG       GLU   6 -15.777  -3.937  18.890
   46    H    MET   7           H        MET   7 -15.849  -4.591  14.641
   47    HA   MET   7           HA       MET   7 -16.985  -2.936  12.626
   48   1HB   MET   7          2HB       MET   7 -15.429  -5.530  12.451
   49   2HB   MET   7          1HB       MET   7 -15.886  -4.587  11.032
   50   1HG   MET   7          2HG       MET   7 -14.682  -2.634  11.939
   51   2HG   MET   7          1HG       MET   7 -14.229  -3.572  13.362
   52   1HE   MET   7          1HE       MET   7 -11.981  -2.991  13.143
   53   2HE   MET   7          3HE       MET   7 -10.801  -3.576  11.963
   54   3HE   MET   7          2HE       MET   7 -11.839  -2.207  11.572
   55    H    CYS   8           H        CYS   8 -17.949  -6.047  13.889
   56    HA   CYS   8           HA       CYS   8 -19.625  -6.833  11.688
   57   1HB   CYS   8          2HB       CYS   8 -18.883  -8.431  13.412
   58   2HB   CYS   8          1HB       CYS   8 -19.816  -7.558  14.628
   59    H    HIS   9           H        HIS   9 -20.267  -5.049  14.704
   60    HA   HIS   9           HA       HIS   9 -23.021  -4.800  14.655
   61   1HB   HIS   9          2HB       HIS   9 -21.889  -3.679  16.409
   62   2HB   HIS   9          1HB       HIS   9 -20.873  -2.774  15.289
   63    HD1  HIS   9           HD1      HIS   9 -22.341  -1.090  13.641
   64    HD2  HIS   9           HD2      HIS   9 -24.079  -2.219  17.258
   65    HE1  HIS   9           HE1      HIS   9 -24.184   0.581  14.100
   66    H    GLU  10           H        GLU  10 -20.728  -2.815  12.760
   67    HA   GLU  10           HA       GLU  10 -22.663  -1.249  11.405
   68   1HB   GLU  10          2HB       GLU  10 -20.198  -0.834  11.365
   69   2HB   GLU  10          1HB       GLU  10 -20.014  -2.226  10.298
   70   1HG   GLU  10          2HG       GLU  10 -21.592  -1.129   8.688
   71   2HG   GLU  10          1HG       GLU  10 -21.606   0.293   9.730
   72    H    PHE  11           H        PHE  11 -21.274  -4.429  10.540
   73    HA   PHE  11           HA       PHE  11 -22.728  -4.614   8.058
   74   1HB   PHE  11          2HB       PHE  11 -20.835  -6.215   9.488
   75   2HB   PHE  11          1HB       PHE  11 -22.221  -7.228   9.087
   76    HD1  PHE  11           HD1      PHE  11 -23.066  -5.677   6.575
   77    HD2  PHE  11           HD2      PHE  11 -19.259  -7.156   7.910
   78    HE1  PHE  11           HE1      PHE  11 -22.289  -5.799   4.226
   79    HE2  PHE  11           HE2      PHE  11 -18.485  -7.278   5.560
   80    HZ   PHE  11           HZ       PHE  11 -19.998  -6.599   3.718
   81    H    GLN  12           H        GLN  12 -23.672  -4.939  11.324
   82    HA   GLN  12           HA       GLN  12 -25.780  -6.872  11.011
   83   1HB   GLN  12          2HB       GLN  12 -24.862  -6.144  13.220
   84   2HB   GLN  12          1HB       GLN  12 -25.621  -4.570  12.982
   85   1HG   GLN  12          2HG       GLN  12 -27.832  -5.676  12.814
   86   2HG   GLN  12          1HG       GLN  12 -27.062  -7.238  13.094
   87   1HE2  GLN  12          1HE2      GLN  12 -28.955  -6.579  14.958
   88   2HE2  GLN  12          2HE2      GLN  12 -28.240  -6.076  16.413
   89    H    ALA  13           H        ALA  13 -25.551  -3.404  10.449
   90    HA   ALA  13           HA       ALA  13 -28.399  -2.974  10.149
   91   1HB   ALA  13          3HB       ALA  13 -25.911  -1.424   9.668
   92   2HB   ALA  13          2HB       ALA  13 -27.311  -0.960   8.700
   93   3HB   ALA  13          1HB       ALA  13 -27.407  -0.932  10.461
   94    H    PHE  14           H        PHE  14 -25.806  -3.995   8.002
   95    HA   PHE  14           HA       PHE  14 -27.430  -3.669   5.588
   96   1HB   PHE  14          2HB       PHE  14 -24.791  -5.074   6.093
   97   2HB   PHE  14          1HB       PHE  14 -25.537  -4.915   4.503
   98    HD1  PHE  14           HD1      PHE  14 -26.018  -2.583   3.603
   99    HD2  PHE  14           HD2      PHE  14 -23.558  -3.289   7.051
  100    HE1  PHE  14           HE1      PHE  14 -25.049  -0.312   3.377
  101    HE2  PHE  14           HE2      PHE  14 -22.588  -1.020   6.825
  102    HZ   PHE  14           HZ       PHE  14 -23.334   0.471   4.989
  103    H    MET  15           H        MET  15 -27.802  -5.700   8.086
  104    HA   MET  15           HA       MET  15 -28.051  -8.235   6.655
  105   1HB   MET  15          2HB       MET  15 -28.135  -7.334   9.402
  106   2HB   MET  15          1HB       MET  15 -29.519  -8.372   9.057
  107   1HG   MET  15          2HG       MET  15 -27.745  -9.906   7.889
  108   2HG   MET  15          1HG       MET  15 -26.584  -9.009   8.869
  109   1HE   MET  15          2HE       MET  15 -28.973 -11.672   8.466
  110   2HE   MET  15          1HE       MET  15 -29.562 -12.183  10.046
  111   3HE   MET  15          3HE       MET  15 -30.213 -10.725   9.285
  112    H    LYS  16           H        LYS  16 -29.836  -8.869   5.516
  113    HA   LYS  16           HA       LYS  16 -32.425  -7.496   6.110
  114   1HB   LYS  16          2HB       LYS  16 -31.229  -8.080   3.386
  115   2HB   LYS  16          1HB       LYS  16 -32.885  -7.532   3.648
  116   1HG   LYS  16          2HG       LYS  16 -31.950  -5.533   4.863
  117   2HG   LYS  16          1HG       LYS  16 -30.339  -6.053   4.369
  118   1HD   LYS  16          2HD       LYS  16 -31.130  -5.988   1.980
  119   2HD   LYS  16          1HD       LYS  16 -32.640  -5.279   2.553
  120   1HE   LYS  16          2HE       LYS  16 -30.042  -4.038   3.396
  121   2HE   LYS  16          1HE       LYS  16 -30.651  -3.720   1.772
  122   1HZ   LYS  16          2HZ       LYS  16 -32.786  -3.071   2.818
  123   2HZ   LYS  16          1HZ       LYS  16 -32.045  -3.206   4.340
  124   3HZ   LYS  16          3HZ       LYS  16 -31.490  -2.052   3.228
  125    H    ASN  17           H        ASN  17 -34.300  -8.808   5.763
  126    HA   ASN  17           HA       ASN  17 -35.414 -10.875   5.999
  127   1HB   ASN  17          2HB       ASN  17 -34.713 -10.606   3.468
  128   2HB   ASN  17          1HB       ASN  17 -33.612 -11.933   3.842
  129   1HD2  ASN  17          1HD2      ASN  17 -35.135 -13.103   2.225
  130   2HD2  ASN  17          2HD2      ASN  17 -36.534 -13.822   2.863
  131    H    GLY  18           H        GLY  18 -33.055 -10.533   7.678
  132   1HA   GLY  18          1HA       GLY  18 -32.714 -13.255   8.547
  133   2HA   GLY  18          2HA       GLY  18 -31.796 -11.871   9.144
  134    H    LYS  19           H        LYS  19 -30.891 -11.103   6.463
  135    HA   LYS  19           HA       LYS  19 -28.818 -13.219   6.108
  136   1HB   LYS  19          2HB       LYS  19 -30.635 -13.263   4.311
  137   2HB   LYS  19          1HB       LYS  19 -30.045 -11.677   3.813
  138   1HG   LYS  19          2HG       LYS  19 -27.745 -13.274   4.081
  139   2HG   LYS  19          1HG       LYS  19 -28.927 -14.297   3.264
  140   1HD   LYS  19          2HD       LYS  19 -29.349 -12.087   1.850
  141   2HD   LYS  19          1HD       LYS  19 -27.703 -11.718   2.364
  142   1HE   LYS  19          2HE       LYS  19 -27.432 -14.328   1.608
  143   2HE   LYS  19          1HE       LYS  19 -28.676 -13.783   0.482
  144   1HZ   LYS  19          2HZ       LYS  19 -26.109 -12.368   0.951
  145   2HZ   LYS  19          1HZ       LYS  19 -26.387 -13.444  -0.334
  146   3HZ   LYS  19          3HZ       LYS  19 -27.274 -12.002  -0.230
  147    H    LEU  20           H        LEU  20 -26.758 -12.395   5.471
  148    HA   LEU  20           HA       LEU  20 -26.423  -9.505   6.063
  149   1HB   LEU  20          2HB       LEU  20 -24.976 -11.029   7.302
  150   2HB   LEU  20          1HB       LEU  20 -24.416 -11.763   5.800
  151    HG   LEU  20           HG       LEU  20 -23.723  -9.318   5.166
  152   1HD1  LEU  20          3HD1      LEU  20 -24.892  -8.772   7.589
  153   2HD1  LEU  20          2HD1      LEU  20 -23.190  -8.893   8.034
  154   3HD1  LEU  20          1HD1      LEU  20 -23.700  -7.739   6.802
  155   1HD2  LEU  20          3HD2      LEU  20 -22.266 -10.931   7.283
  156   2HD2  LEU  20          2HD2      LEU  20 -22.132 -11.148   5.537
  157   3HD2  LEU  20          1HD2      LEU  20 -21.534  -9.670   6.291
  158    H    PHE  21           H        PHE  21 -26.435  -8.171   4.321
  159    HA   PHE  21           HA       PHE  21 -25.602  -9.254   1.682
  160   1HB   PHE  21          2HB       PHE  21 -27.120  -6.791   2.546
  161   2HB   PHE  21          1HB       PHE  21 -26.479  -6.951   0.911
  162    HD1  PHE  21           HD1      PHE  21 -28.732  -8.529   3.420
  163    HD2  PHE  21           HD2      PHE  21 -27.527  -8.357  -0.699
  164    HE1  PHE  21           HE1      PHE  21 -30.673  -9.940   2.794
  165    HE2  PHE  21           HE2      PHE  21 -29.468  -9.768  -1.326
  166    HZ   PHE  21           HZ       PHE  21 -31.041 -10.559   0.420
  167    H    CYS  22           H        CYS  22 -23.405  -9.104   1.450
  168    HA   CYS  22           HA       CYS  22 -22.058  -6.619   2.400
  169   1HB   CYS  22          2HB       CYS  22 -20.768  -9.196   1.469
  170   2HB   CYS  22          1HB       CYS  22 -20.000  -7.873   2.346
  171    HA   PRO  23           HA       PRO  23 -22.382  -6.180  -2.257
  172   1HB   PRO  23          2HB       PRO  23 -23.060  -3.565  -2.200
  173   2HB   PRO  23          1HB       PRO  23 -24.248  -4.866  -2.096
  174   1HG   PRO  23          2HG       PRO  23 -23.044  -3.214   0.096
  175   2HG   PRO  23          1HG       PRO  23 -24.729  -3.694  -0.135
  176   1HD   PRO  23          2HD       PRO  23 -23.108  -4.971   1.607
  177   2HD   PRO  23          1HD       PRO  23 -24.375  -5.817   0.718
  178    H    GLN  24           H        GLN  24 -20.912  -5.010  -3.620
  179    HA   GLN  24           HA       GLN  24 -18.383  -4.356  -2.377
  180   1HB   GLN  24          2HB       GLN  24 -19.394  -3.927  -5.205
  181   2HB   GLN  24          1HB       GLN  24 -17.725  -3.668  -4.693
  182   1HG   GLN  24          2HG       GLN  24 -17.523  -6.009  -4.035
  183   2HG   GLN  24          1HG       GLN  24 -19.224  -6.290  -4.408
  184   1HE2  GLN  24          1HE2      GLN  24 -17.052  -7.716  -5.711
  185   2HE2  GLN  24          2HE2      GLN  24 -17.071  -7.288  -7.353
  186    H    ASP  25           H        ASP  25 -21.179  -2.508  -3.389
  187    HA   ASP  25           HA       ASP  25 -20.144   0.070  -3.672
  188   1HB   ASP  25          2HB       ASP  25 -22.683  -0.816  -2.273
  189   2HB   ASP  25          1HB       ASP  25 -22.325   0.859  -2.692
  190    H    LYS  26           H        LYS  26 -20.756  -1.729  -0.673
  191    HA   LYS  26           HA       LYS  26 -20.319   0.326   1.203
  192   1HB   LYS  26          2HB       LYS  26 -20.995  -2.066   1.696
  193   2HB   LYS  26          1HB       LYS  26 -19.302  -2.514   1.488
  194   1HG   LYS  26          2HG       LYS  26 -18.665  -0.935   3.277
  195   2HG   LYS  26          1HG       LYS  26 -20.358  -0.487   3.485
  196   1HD   LYS  26          2HD       LYS  26 -20.865  -2.898   3.988
  197   2HD   LYS  26          1HD       LYS  26 -19.132  -3.222   3.945
  198   1HE   LYS  26          2HE       LYS  26 -19.939  -0.940   5.647
  199   2HE   LYS  26          1HE       LYS  26 -20.489  -2.519   6.206
  200   1HZ   LYS  26          3HZ       LYS  26 -17.686  -1.885   5.461
  201   2HZ   LYS  26          2HZ       LYS  26 -18.277  -1.897   7.054
  202   3HZ   LYS  26          1HZ       LYS  26 -18.252  -3.331   6.144
  203    H    LYS  27           H        LYS  27 -18.484   1.360   1.963
  204    HA   LYS  27           HA       LYS  27 -16.126   1.382   0.344
  205   1HB   LYS  27          2HB       LYS  27 -15.145   2.590   2.415
  206   2HB   LYS  27          1HB       LYS  27 -16.514   3.346   1.600
  207   1HG   LYS  27          2HG       LYS  27 -18.020   2.734   3.283
  208   2HG   LYS  27          1HG       LYS  27 -16.999   1.411   3.850
  209   1HD   LYS  27          2HD       LYS  27 -15.427   2.949   4.835
  210   2HD   LYS  27          1HD       LYS  27 -16.221   4.330   4.078
  211   1HE   LYS  27          2HE       LYS  27 -17.895   4.381   5.631
  212   2HE   LYS  27          1HE       LYS  27 -17.969   2.623   5.753
  213   1HZ   LYS  27          2HZ       LYS  27 -15.828   2.737   6.981
  214   2HZ   LYS  27          1HZ       LYS  27 -15.981   4.429   7.011
  215   3HZ   LYS  27          3HZ       LYS  27 -17.132   3.461   7.795
  216    HA   PRO  28           HA       PRO  28 -14.198  -2.329   1.935
  217   1HB   PRO  28          2HB       PRO  28 -11.814  -2.004   0.708
  218   2HB   PRO  28          1HB       PRO  28 -13.263  -2.551  -0.139
  219   1HG   PRO  28          2HG       PRO  28 -12.040   0.178  -0.038
  220   2HG   PRO  28          1HG       PRO  28 -12.722  -0.684  -1.420
  221   1HD   PRO  28          2HD       PRO  28 -14.087   1.245  -0.092
  222   2HD   PRO  28          1HD       PRO  28 -14.890  -0.124  -0.862
  223    H    ILE  29           H        ILE  29 -13.238  -2.594   3.888
  224    HA   ILE  29           HA       ILE  29 -11.359  -0.465   4.835
  225    HB   ILE  29           HB       ILE  29 -13.559  -0.774   6.096
  226   1HG1  ILE  29          2HG1      ILE  29 -11.416   0.220   7.036
  227   2HG1  ILE  29          1HG1      ILE  29 -12.524  -0.448   8.232
  228   1HG2  ILE  29          1HG2      ILE  29 -12.782  -3.478   5.950
  229   2HG2  ILE  29          3HG2      ILE  29 -12.601  -3.029   7.645
  230   3HG2  ILE  29          2HG2      ILE  29 -14.153  -2.817   6.838
  231   1HD1  ILE  29          1HD1      ILE  29 -10.897  -2.609   7.474
  232   2HD1  ILE  29          3HD1      ILE  29  -9.798  -1.238   7.618
  233   3HD1  ILE  29          2HD1      ILE  29 -10.810  -1.704   8.984
  234    H    GLN  30           H        GLN  30  -9.390  -1.195   5.809
  235    HA   GLN  30           HA       GLN  30  -8.555  -3.864   4.940
  236   1HB   GLN  30          2HB       GLN  30  -6.845  -2.239   4.762
  237   2HB   GLN  30          1HB       GLN  30  -7.176  -1.585   6.366
  238   1HG   GLN  30          2HG       GLN  30  -6.234  -3.502   7.441
  239   2HG   GLN  30          1HG       GLN  30  -6.209  -4.421   5.936
  240   1HE2  GLN  30          1HE2      GLN  30  -3.821  -4.688   6.319
  241   2HE2  GLN  30          2HE2      GLN  30  -2.769  -3.417   5.919
  242    H    SER  31           H        SER  31  -9.241  -5.558   6.116
  243    HA   SER  31           HA       SER  31  -9.922  -5.297   8.939
  244   1HB   SER  31          2HB       SER  31 -11.034  -7.252   8.625
  245   2HB   SER  31          1HB       SER  31 -10.766  -6.924   6.909
  246    HG   SER  31           HG       SER  31  -8.711  -8.071   7.240
  247    H    LEU  32           H        LEU  32  -9.003  -6.959  10.530
  248    HA   LEU  32           HA       LEU  32  -6.043  -7.136  10.128
  249   1HB   LEU  32          2HB       LEU  32  -5.864  -7.032  12.585
  250   2HB   LEU  32          1HB       LEU  32  -6.745  -5.633  11.967
  251    HG   LEU  32           HG       LEU  32  -8.803  -7.363  12.331
  252   1HD1  LEU  32          3HD1      LEU  32  -6.670  -8.057  14.361
  253   2HD1  LEU  32          2HD1      LEU  32  -8.383  -8.389  14.619
  254   3HD1  LEU  32          1HD1      LEU  32  -7.528  -9.156  13.280
  255   1HD2  LEU  32          1HD2      LEU  32  -8.648  -5.054  13.186
  256   2HD2  LEU  32          3HD2      LEU  32  -9.240  -6.153  14.432
  257   3HD2  LEU  32          2HD2      LEU  32  -7.564  -5.602  14.466
  258    H    ASP  33           H        ASP  33  -8.677  -9.068   9.979
  259    HA   ASP  33           HA       ASP  33  -7.636 -11.313  11.579
  260   1HB   ASP  33          2HB       ASP  33 -10.039 -10.876   9.826
  261   2HB   ASP  33          1HB       ASP  33  -9.591 -12.502  10.339
  262    H    GLY  34           H        GLY  34  -6.353 -10.060   9.018
  263   1HA   GLY  34          1HA       GLY  34  -5.577 -12.673   7.867
  264   2HA   GLY  34          2HA       GLY  34  -4.756 -11.137   7.581
  265    H    ILE  35           H        ILE  35  -8.121 -10.837   7.412
  266    HA   ILE  35           HA       ILE  35  -8.183 -11.338   4.480
  267    HB   ILE  35           HB       ILE  35 -10.428 -10.760   6.442
  268   1HG1  ILE  35          2HG1      ILE  35  -9.986 -13.360   5.004
  269   2HG1  ILE  35          1HG1      ILE  35  -9.081 -13.019   6.478
  270   1HG2  ILE  35          3HG2      ILE  35 -10.302 -11.187   3.477
  271   2HG2  ILE  35          2HG2      ILE  35 -11.700 -11.788   4.366
  272   3HG2  ILE  35          1HG2      ILE  35 -11.306 -10.070   4.403
  273   1HD1  ILE  35          2HD1      ILE  35 -12.021 -12.497   6.528
  274   2HD1  ILE  35          1HD1      ILE  35 -11.498 -14.181   6.540
  275   3HD1  ILE  35          3HD1      ILE  35 -10.962 -13.083   7.811
  276    H    MET  36           H        MET  36  -9.405  -9.599   3.196
  277    HA   MET  36           HA       MET  36  -8.712  -6.901   4.294
  278   1HB   MET  36          2HB       MET  36  -8.828  -7.684   1.370
  279   2HB   MET  36          1HB       MET  36  -8.210  -6.180   2.052
  280   1HG   MET  36          2HG       MET  36  -6.460  -7.502   3.257
  281   2HG   MET  36          1HG       MET  36  -7.036  -8.950   2.432
  282   1HE   MET  36          3HE       MET  36  -6.510  -5.408   2.011
  283   2HE   MET  36          2HE       MET  36  -4.967  -5.274   1.172
  284   3HE   MET  36          1HE       MET  36  -6.469  -5.226   0.252
  285    H    PHE  37           H        PHE  37 -10.479  -5.701   4.703
  286    HA   PHE  37           HA       PHE  37 -12.653  -4.848   4.579
  287   1HB   PHE  37          2HB       PHE  37 -13.145  -5.669   1.807
  288   2HB   PHE  37          1HB       PHE  37 -13.187  -4.067   2.532
  289    HD1  PHE  37           HD1      PHE  37 -11.029  -2.829   2.922
  290    HD2  PHE  37           HD2      PHE  37 -11.228  -6.427   0.597
  291    HE1  PHE  37           HE1      PHE  37  -8.822  -2.303   1.940
  292    HE2  PHE  37           HE2      PHE  37  -9.020  -5.901  -0.402
  293    HZ   PHE  37           HZ       PHE  37  -7.814  -3.839   0.269
  294    H    ILE  38           H        ILE  38 -13.036  -7.472   2.204
  295    HA   ILE  38           HA       ILE  38 -15.544  -8.343   2.901
  296    HB   ILE  38           HB       ILE  38 -15.025 -10.465   1.955
  297   1HG1  ILE  38          2HG1      ILE  38 -12.112  -9.903   2.585
  298   2HG1  ILE  38          1HG1      ILE  38 -13.152 -10.974   3.524
  299   1HG2  ILE  38          2HG2      ILE  38 -14.558  -8.282   0.585
  300   2HG2  ILE  38          1HG2      ILE  38 -12.868  -8.768   0.723
  301   3HG2  ILE  38          3HG2      ILE  38 -14.031  -9.833  -0.068
  302   1HD1  ILE  38          1HD1      ILE  38 -13.611 -12.139   1.233
  303   2HD1  ILE  38          3HD1      ILE  38 -12.142 -11.318   0.708
  304   3HD1  ILE  38          2HD1      ILE  38 -12.081 -12.460   2.050
  305    H    ASN  39           H        ASN  39 -12.629  -8.748   4.793
  306    HA   ASN  39           HA       ASN  39 -13.191 -10.828   6.519
  307   1HB   ASN  39          2HB       ASN  39 -11.263  -9.117   6.631
  308   2HB   ASN  39          1HB       ASN  39 -12.362  -8.135   7.598
  309   1HD2  ASN  39          1HD2      ASN  39 -11.871  -8.439   9.783
  310   2HD2  ASN  39          2HD2      ASN  39 -11.502  -9.934  10.496
  311    H    LYS  40           H        LYS  40 -14.309  -7.466   7.090
  312    HA   LYS  40           HA       LYS  40 -15.925  -7.853   9.287
  313   1HB   LYS  40          2HB       LYS  40 -16.538  -6.195   6.827
  314   2HB   LYS  40          1HB       LYS  40 -17.444  -6.082   8.335
  315   1HG   LYS  40          2HG       LYS  40 -15.185  -5.658   9.477
  316   2HG   LYS  40          1HG       LYS  40 -14.538  -5.408   7.854
  317   1HD   LYS  40          2HD       LYS  40 -16.195  -3.639   7.449
  318   2HD   LYS  40          1HD       LYS  40 -16.893  -3.909   9.045
  319   1HE   LYS  40          2HE       LYS  40 -15.113  -2.923  10.141
  320   2HE   LYS  40          1HE       LYS  40 -13.960  -3.357   8.879
  321   1HZ   LYS  40          3HZ       LYS  40 -15.754  -1.695   7.650
  322   2HZ   LYS  40          2HZ       LYS  40 -15.510  -0.982   9.173
  323   3HZ   LYS  40          1HZ       LYS  40 -14.187  -1.286   8.152
  324    H    CYS  41           H        CYS  41 -16.780  -8.587   5.927
  325    HA   CYS  41           HA       CYS  41 -19.446  -9.506   6.535
  326   1HB   CYS  41          2HB       CYS  41 -18.573  -8.823   4.253
  327   2HB   CYS  41          1HB       CYS  41 -17.706 -10.353   4.208
  328    H    ALA  42           H        ALA  42 -16.452 -11.277   5.742
  329    HA   ALA  42           HA       ALA  42 -17.522 -13.861   6.387
  330   1HB   ALA  42          2HB       ALA  42 -15.500 -13.468   4.974
  331   2HB   ALA  42          1HB       ALA  42 -14.623 -12.989   6.427
  332   3HB   ALA  42          3HB       ALA  42 -15.224 -14.638   6.264
  333    H    THR  43           H        THR  43 -16.333 -11.289   8.383
  334    HA   THR  43           HA       THR  43 -15.966 -13.164  10.667
  335    HB   THR  43           HB       THR  43 -15.131 -11.063  11.832
  336    HG1  THR  43           HG1      THR  43 -16.051  -9.497  10.580
  337   1HG2  THR  43          2HG2      THR  43 -13.613 -12.722  10.799
  338   2HG2  THR  43          1HG2      THR  43 -13.734 -11.862   9.264
  339   3HG2  THR  43          3HG2      THR  43 -12.977 -11.083  10.653
  340    H    CYS  44           H        CYS  44 -17.735 -10.187   9.799
  341    HA   CYS  44           HA       CYS  44 -19.259  -9.997  12.187
  342   1HB   CYS  44          2HB       CYS  44 -19.175  -8.194  10.505
  343   2HB   CYS  44          1HB       CYS  44 -20.068  -9.209   9.373
  344    H    LYS  45           H        LYS  45 -19.729 -11.977   9.290
  345    HA   LYS  45           HA       LYS  45 -22.419 -12.749   9.752
  346   1HB   LYS  45          2HB       LYS  45 -20.081 -14.046   8.388
  347   2HB   LYS  45          1HB       LYS  45 -21.558 -14.977   8.635
  348   1HG   LYS  45          2HG       LYS  45 -22.773 -12.921   7.626
  349   2HG   LYS  45          1HG       LYS  45 -21.178 -12.440   7.048
  350   1HD   LYS  45          2HD       LYS  45 -21.030 -14.870   6.127
  351   2HD   LYS  45          1HD       LYS  45 -22.782 -14.890   6.334
  352   1HE   LYS  45          2HE       LYS  45 -22.954 -12.844   4.940
  353   2HE   LYS  45          1HE       LYS  45 -21.206 -12.872   4.705
  354   1HZ   LYS  45          3HZ       LYS  45 -22.390 -15.394   4.113
  355   2HZ   LYS  45          2HZ       LYS  45 -23.079 -14.157   3.174
  356   3HZ   LYS  45          1HZ       LYS  45 -21.400 -14.416   3.144
  357    H    MET  46           H        MET  46 -19.416 -13.920  11.185
  358    HA   MET  46           HA       MET  46 -20.839 -16.007  12.699
  359   1HB   MET  46          2HB       MET  46 -17.954 -15.062  12.735
  360   2HB   MET  46          1HB       MET  46 -18.572 -16.379  13.732
  361   1HG   MET  46          2HG       MET  46 -18.589 -16.267  10.700
  362   2HG   MET  46          1HG       MET  46 -17.558 -17.291  11.698
  363   1HE   MET  46          1HE       MET  46 -18.393 -18.413  13.575
  364   2HE   MET  46          3HE       MET  46 -20.089 -18.714  13.978
  365   3HE   MET  46          2HE       MET  46 -19.170 -19.911  13.070
  366    H    ILE  47           H        ILE  47 -19.477 -12.795  13.164
  367    HA   ILE  47           HA       ILE  47 -19.914 -12.795  16.050
  368    HB   ILE  47           HB       ILE  47 -19.510 -10.419  14.207
  369   1HG1  ILE  47          1HG1      ILE  47 -17.392 -11.980  15.708
  370   2HG1  ILE  47          2HG1      ILE  47 -17.743 -12.226  13.999
  371   1HG2  ILE  47          1HG2      ILE  47 -19.455 -10.888  17.162
  372   2HG2  ILE  47          3HG2      ILE  47 -18.322  -9.718  16.483
  373   3HG2  ILE  47          2HG2      ILE  47 -20.058  -9.497  16.260
  374   1HD1  ILE  47          2HD1      ILE  47 -17.474  -9.413  14.464
  375   2HD1  ILE  47          1HD1      ILE  47 -16.084 -10.228  15.182
  376   3HD1  ILE  47          3HD1      ILE  47 -16.454 -10.457  13.473
  377    H    LEU  48           H        LEU  48 -21.828 -12.269  13.232
  378    HA   LEU  48           HA       LEU  48 -23.790 -10.475  14.341
  379   1HB   LEU  48          2HB       LEU  48 -23.387 -11.348  11.856
  380   2HB   LEU  48          1HB       LEU  48 -24.558 -12.569  12.337
  381    HG   LEU  48           HG       LEU  48 -25.927 -10.888  11.456
  382   1HD1  LEU  48          2HD1      LEU  48 -26.635 -11.465  13.756
  383   2HD1  LEU  48          1HD1      LEU  48 -25.653 -10.142  14.384
  384   3HD1  LEU  48          3HD1      LEU  48 -27.044  -9.797  13.355
  385   1HD2  LEU  48          2HD2      LEU  48 -23.672  -9.226  12.080
  386   2HD2  LEU  48          1HD2      LEU  48 -25.027  -8.881  11.004
  387   3HD2  LEU  48          3HD2      LEU  48 -25.131  -8.468  12.716
  388    H    GLU  49           H        GLU  49 -23.413 -13.996  14.307
  389    HA   GLU  49           HA       GLU  49 -25.981 -14.592  15.466
  390   1HB   GLU  49          2HB       GLU  49 -23.386 -16.161  15.591
  391   2HB   GLU  49          1HB       GLU  49 -24.981 -16.793  15.998
  392   1HG   GLU  49          2HG       GLU  49 -25.748 -16.313  13.692
  393   2HG   GLU  49          1HG       GLU  49 -24.138 -15.713  13.290
  394    H    LYS  50           H        LYS  50 -22.824 -13.787  16.834
  395    HA   LYS  50           HA       LYS  50 -23.351 -14.487  19.540
  396   1HB   LYS  50          2HB       LYS  50 -21.685 -12.170  18.509
  397   2HB   LYS  50          1HB       LYS  50 -21.571 -12.898  20.110
  398   1HG   LYS  50          2HG       LYS  50 -21.095 -14.376  17.504
  399   2HG   LYS  50          1HG       LYS  50 -19.819 -13.747  18.547
  400   1HD   LYS  50          2HD       LYS  50 -20.757 -15.141  20.419
  401   2HD   LYS  50          1HD       LYS  50 -21.876 -15.858  19.260
  402   1HE   LYS  50          2HE       LYS  50 -19.903 -17.294  19.518
  403   2HE   LYS  50          1HE       LYS  50 -19.942 -16.611  17.893
  404   1HZ   LYS  50          2HZ       LYS  50 -18.396 -15.472  20.157
  405   2HZ   LYS  50          1HZ       LYS  50 -17.739 -16.477  18.955
  406   3HZ   LYS  50          3HZ       LYS  50 -18.360 -14.955  18.539
  407    H    GLU  51           H        GLU  51 -24.146 -11.574  17.682
  408    HA   GLU  51           HA       GLU  51 -25.066  -9.983  19.864
  409   1HB   GLU  51          2HB       GLU  51 -25.985 -10.026  16.972
  410   2HB   GLU  51          1HB       GLU  51 -26.366  -8.753  18.132
  411   1HG   GLU  51          2HG       GLU  51 -23.942  -8.328  18.439
  412   2HG   GLU  51          1HG       GLU  51 -23.583  -9.572  17.242
  413    H    ALA  52           H        ALA  52 -26.608 -12.544  17.995
  414    HA   ALA  52           HA       ALA  52 -29.294 -12.103  18.848
  415   1HB   ALA  52          3HB       ALA  52 -29.761 -14.130  17.852
  416   2HB   ALA  52          1HB       ALA  52 -28.321 -14.904  18.514
  417   3HB   ALA  52          2HB       ALA  52 -28.184 -13.829  17.123
  418    H    LYS  53           H        LYS  53 -26.530 -13.509  20.459
  419    HA   LYS  53           HA       LYS  53 -27.837 -15.013  22.477
  420   1HB   LYS  53          2HB       LYS  53 -25.278 -13.392  22.640
  421   2HB   LYS  53          1HB       LYS  53 -25.787 -14.587  23.833
  422   1HG   LYS  53          2HG       LYS  53 -25.828 -16.314  22.035
  423   2HG   LYS  53          1HG       LYS  53 -25.221 -15.109  20.898
  424   1HD   LYS  53          2HD       LYS  53 -23.227 -14.788  22.369
  425   2HD   LYS  53          1HD       LYS  53 -23.820 -16.087  23.405
  426   1HE   LYS  53          2HE       LYS  53 -23.634 -16.691  20.498
  427   2HE   LYS  53          1HE       LYS  53 -22.107 -16.521  21.363
  428   1HZ   LYS  53          3HZ       LYS  53 -24.274 -18.171  22.484
  429   2HZ   LYS  53          2HZ       LYS  53 -23.250 -18.808  21.288
  430   3HZ   LYS  53          1HZ       LYS  53 -22.604 -18.267  22.764
  431    H    SER  54           H        SER  54 -27.351 -11.544  22.134
  432    HA   SER  54           HA       SER  54 -27.945 -10.738  24.791
  433   1HB   SER  54          2HB       SER  54 -28.739  -9.293  22.246
  434   2HB   SER  54          1HB       SER  54 -28.505  -8.574  23.840
  435    HG   SER  54           HG       SER  54 -26.457  -8.502  23.468
  436    H    GLN  55           H        GLN  55 -30.019 -11.875  22.207
  437    HA   GLN  55           HA       GLN  55 -32.488 -10.982  23.485
  438   1HB   GLN  55          2HB       GLN  55 -32.297 -11.335  21.021
  439   2HB   GLN  55          1HB       GLN  55 -32.087 -13.062  21.313
  440   1HG   GLN  55          2HG       GLN  55 -34.290 -13.152  22.413
  441   2HG   GLN  55          1HG       GLN  55 -34.500 -11.421  22.148
  442   1HE2  GLN  55          1HE2      GLN  55 -36.430 -13.035  21.011
  443   2HE2  GLN  55          2HE2      GLN  55 -36.216 -13.137  19.331

  No H/Q in entry =         443
  Start of MODEL   22
    1    H1   LYS   1          3H        LYS   1   5.407 -19.708 -23.099
    2    H2   LYS   1          2H        LYS   1   6.319 -21.115 -23.370
    3    H3   LYS   1          1H        LYS   1   4.689 -21.050 -23.846
    4    HA   LYS   1           HA       LYS   1   4.277 -22.090 -21.926
    5   1HB   LYS   1          2HB       LYS   1   6.765 -22.437 -21.665
    6   2HB   LYS   1          1HB       LYS   1   6.823 -20.916 -20.772
    7   1HG   LYS   1          2HG       LYS   1   5.185 -21.822 -19.148
    8   2HG   LYS   1          1HG       LYS   1   5.165 -23.348 -20.032
    9   1HD   LYS   1          2HD       LYS   1   7.639 -23.532 -19.645
   10   2HD   LYS   1          1HD       LYS   1   7.543 -22.093 -18.630
   11   1HE   LYS   1          2HE       LYS   1   5.492 -23.783 -17.711
   12   2HE   LYS   1          1HE       LYS   1   6.879 -24.840 -17.973
   13   1HZ   LYS   1          2HZ       LYS   1   8.149 -22.947 -16.773
   14   2HZ   LYS   1          1HZ       LYS   1   6.616 -22.535 -16.169
   15   3HZ   LYS   1          3HZ       LYS   1   7.262 -24.072 -15.861
   16    H    ASN   2           H        ASN   2   6.008 -19.198 -20.728
   17    HA   ASN   2           HA       ASN   2   3.499 -18.398 -19.347
   18   1HB   ASN   2          2HB       ASN   2   5.698 -18.569 -18.090
   19   2HB   ASN   2          1HB       ASN   2   6.261 -17.192 -19.038
   20   1HD2  ASN   2          1HD2      ASN   2   6.346 -16.138 -16.779
   21   2HD2  ASN   2          2HD2      ASN   2   4.921 -15.428 -16.191
   22    H    GLU   3           H        GLU   3   2.301 -16.748 -20.164
   23    HA   GLU   3           HA       GLU   3   3.103 -15.380 -22.580
   24   1HB   GLU   3          2HB       GLU   3   0.833 -14.836 -20.642
   25   2HB   GLU   3          1HB       GLU   3   1.018 -14.053 -22.211
   26   1HG   GLU   3          2HG       GLU   3   0.947 -16.272 -23.312
   27   2HG   GLU   3          1HG       GLU   3   0.723 -17.036 -21.738
   28    H    ASP   4           H        ASP   4   3.142 -14.556 -19.144
   29    HA   ASP   4           HA       ASP   4   3.611 -11.774 -19.345
   30   1HB   ASP   4          2HB       ASP   4   3.244 -13.115 -17.217
   31   2HB   ASP   4          1HB       ASP   4   4.935 -13.609 -17.331
   32    H    GLN   5           H        GLN   5   5.736 -14.494 -19.951
   33    HA   GLN   5           HA       GLN   5   8.219 -13.043 -19.877
   34   1HB   GLN   5          2HB       GLN   5   7.418 -15.553 -21.379
   35   2HB   GLN   5          1HB       GLN   5   9.071 -14.948 -21.272
   36   1HG   GLN   5          2HG       GLN   5   9.026 -15.155 -18.837
   37   2HG   GLN   5          1HG       GLN   5   7.336 -15.657 -18.886
   38   1HE2  GLN   5          1HE2      GLN   5   9.383 -17.345 -17.768
   39   2HE2  GLN   5          2HE2      GLN   5   9.540 -18.713 -18.761
   40    H    GLU   6           H        GLU   6   5.793 -13.582 -22.393
   41    HA   GLU   6           HA       GLU   6   7.281 -12.638 -24.620
   42   1HB   GLU   6          2HB       GLU   6   4.983 -13.711 -24.673
   43   2HB   GLU   6          1HB       GLU   6   4.327 -12.158 -24.154
   44   1HG   GLU   6          2HG       GLU   6   5.306 -11.072 -26.137
   45   2HG   GLU   6          1HG       GLU   6   5.988 -12.615 -26.652
   46    H    MET   7           H        MET   7   5.121 -10.826 -22.413
   47    HA   MET   7           HA       MET   7   5.536  -8.260 -23.541
   48   1HB   MET   7          2HB       MET   7   5.059  -9.015 -20.641
   49   2HB   MET   7          1HB       MET   7   4.889  -7.390 -21.304
   50   1HG   MET   7          2HG       MET   7   3.309  -9.842 -22.139
   51   2HG   MET   7          1HG       MET   7   2.696  -8.470 -21.215
   52   1HE   MET   7          1HE       MET   7   3.406  -6.264 -21.810
   53   2HE   MET   7          3HE       MET   7   3.986  -5.708 -23.386
   54   3HE   MET   7          2HE       MET   7   2.263  -5.688 -23.021
   55    H    CYS   8           H        CYS   8   7.644 -10.252 -21.636
   56    HA   CYS   8           HA       CYS   8   9.356  -8.127 -20.673
   57   1HB   CYS   8          2HB       CYS   8   9.856 -11.092 -21.054
   58   2HB   CYS   8          1HB       CYS   8  10.978  -9.992 -20.254
   59    H    HIS   9           H        HIS   9   9.274 -10.126 -23.586
   60    HA   HIS   9           HA       HIS   9  11.792  -9.672 -24.677
   61   1HB   HIS   9          2HB       HIS   9  10.379 -10.972 -26.028
   62   2HB   HIS   9          1HB       HIS   9   9.043  -9.830 -25.899
   63    HD1  HIS   9           HD1      HIS   9   9.673  -7.362 -27.056
   64    HD2  HIS   9           HD2      HIS   9  11.710 -10.726 -28.437
   65    HE1  HIS   9           HE1      HIS   9  10.630  -6.740 -29.312
   66    H    GLU  10           H        GLU  10   9.026  -7.446 -24.588
   67    HA   GLU  10           HA       GLU  10  10.342  -5.335 -26.046
   68   1HB   GLU  10          2HB       GLU  10   7.884  -5.453 -25.806
   69   2HB   GLU  10          1HB       GLU  10   8.044  -5.183 -24.071
   70   1HG   GLU  10          2HG       GLU  10   9.267  -3.027 -24.634
   71   2HG   GLU  10          1HG       GLU  10   8.775  -3.278 -26.309
   72    H    PHE  11           H        PHE  11  10.328  -6.316 -22.663
   73    HA   PHE  11           HA       PHE  11  11.549  -3.789 -21.807
   74   1HB   PHE  11          2HB       PHE  11  10.196  -5.934 -20.519
   75   2HB   PHE  11          1HB       PHE  11  11.825  -5.874 -19.846
   76    HD1  PHE  11           HD1      PHE  11  12.244  -2.859 -20.363
   77    HD2  PHE  11           HD2      PHE  11   9.038  -5.080 -18.559
   78    HE1  PHE  11           HE1      PHE  11  11.614  -0.871 -19.036
   79    HE2  PHE  11           HE2      PHE  11   8.411  -3.087 -17.225
   80    HZ   PHE  11           HZ       PHE  11   9.699  -0.980 -17.462
   81    H    GLN  12           H        GLN  12  12.581  -6.886 -22.951
   82    HA   GLN  12           HA       GLN  12  15.188  -6.958 -21.753
   83   1HB   GLN  12          2HB       GLN  12  14.155  -8.108 -24.362
   84   2HB   GLN  12          1HB       GLN  12  15.747  -8.465 -23.691
   85   1HG   GLN  12          2HG       GLN  12  14.733  -9.403 -21.680
   86   2HG   GLN  12          1HG       GLN  12  13.125  -8.945 -22.242
   87   1HE2  GLN  12          1HE2      GLN  12  13.721 -11.673 -21.688
   88   2HE2  GLN  12          2HE2      GLN  12  13.732 -12.539 -23.148
   89    H    ALA  13           H        ALA  13  13.896  -5.356 -24.626
   90    HA   ALA  13           HA       ALA  13  16.404  -4.597 -25.781
   91   1HB   ALA  13          3HB       ALA  13  13.809  -4.324 -26.547
   92   2HB   ALA  13          2HB       ALA  13  14.155  -2.678 -26.015
   93   3HB   ALA  13          1HB       ALA  13  15.136  -3.421 -27.278
   94    H    PHE  14           H        PHE  14  14.328  -3.053 -23.344
   95    HA   PHE  14           HA       PHE  14  16.040  -0.709 -23.099
   96   1HB   PHE  14          2HB       PHE  14  13.892  -1.810 -21.258
   97   2HB   PHE  14          1HB       PHE  14  14.658  -0.231 -21.086
   98    HD1  PHE  14           HD1      PHE  14  14.613   1.298 -23.231
   99    HD2  PHE  14           HD2      PHE  14  11.949  -1.999 -22.540
  100    HE1  PHE  14           HE1      PHE  14  13.006   2.256 -24.858
  101    HE2  PHE  14           HE2      PHE  14  10.342  -1.041 -24.165
  102    HZ   PHE  14           HZ       PHE  14  10.870   1.086 -25.326
  103    H    MET  15           H        MET  15  16.356  -3.914 -22.129
  104    HA   MET  15           HA       MET  15  17.695  -3.419 -19.580
  105   1HB   MET  15          2HB       MET  15  16.460  -5.558 -20.230
  106   2HB   MET  15          1HB       MET  15  17.841  -5.931 -21.260
  107   1HG   MET  15          2HG       MET  15  19.307  -5.612 -19.206
  108   2HG   MET  15          1HG       MET  15  17.823  -5.571 -18.254
  109   1HE   MET  15          2HE       MET  15  19.343  -7.088 -21.183
  110   2HE   MET  15          1HE       MET  15  20.284  -8.273 -20.281
  111   3HE   MET  15          3HE       MET  15  18.880  -8.787 -21.227
  112    H    LYS  16           H        LYS  16  19.813  -2.880 -19.351
  113    HA   LYS  16           HA       LYS  16  21.693  -3.533 -21.572
  114   1HB   LYS  16          2HB       LYS  16  21.460  -0.843 -20.186
  115   2HB   LYS  16          1HB       LYS  16  22.705  -1.281 -21.355
  116   1HG   LYS  16          2HG       LYS  16  20.929  -1.713 -23.043
  117   2HG   LYS  16          1HG       LYS  16  19.717  -1.191 -21.873
  118   1HD   LYS  16          2HD       LYS  16  20.858   1.020 -21.730
  119   2HD   LYS  16          1HD       LYS  16  21.990   0.491 -22.974
  120   1HE   LYS  16          2HE       LYS  16  19.048   1.069 -23.218
  121   2HE   LYS  16          1HE       LYS  16  20.377   1.631 -24.232
  122   1HZ   LYS  16          2HZ       LYS  16  20.678  -0.681 -24.977
  123   2HZ   LYS  16          1HZ       LYS  16  19.302  -1.133 -24.090
  124   3HZ   LYS  16          3HZ       LYS  16  19.154  -0.054 -25.390
  125    H    ASN  17           H        ASN  17  23.826  -3.954 -20.866
  126    HA   ASN  17           HA       ASN  17  25.428  -4.719 -19.326
  127   1HB   ASN  17          2HB       ASN  17  25.157  -2.150 -18.832
  128   2HB   ASN  17          1HB       ASN  17  24.367  -2.710 -17.358
  129   1HD2  ASN  17          1HD2      ASN  17  26.699  -1.371 -16.902
  130   2HD2  ASN  17          2HD2      ASN  17  27.966  -2.437 -16.524
  131    H    GLY  18           H        GLY  18  22.656  -5.841 -19.254
  132   1HA   GLY  18          1HA       GLY  18  22.947  -7.324 -16.753
  133   2HA   GLY  18          2HA       GLY  18  21.693  -7.578 -17.968
  134    H    LYS  19           H        LYS  19  21.778  -4.327 -17.388
  135    HA   LYS  19           HA       LYS  19  20.029  -4.396 -14.996
  136   1HB   LYS  19          2HB       LYS  19  21.929  -2.702 -15.344
  137   2HB   LYS  19          1HB       LYS  19  20.897  -1.965 -16.569
  138   1HG   LYS  19          2HG       LYS  19  19.166  -2.272 -14.439
  139   2HG   LYS  19          1HG       LYS  19  20.685  -1.875 -13.637
  140   1HD   LYS  19          2HD       LYS  19  19.749  -0.283 -16.019
  141   2HD   LYS  19          1HD       LYS  19  19.141   0.080 -14.403
  142   1HE   LYS  19          2HE       LYS  19  21.843  -0.145 -13.949
  143   2HE   LYS  19          1HE       LYS  19  21.807   0.570 -15.561
  144   1HZ   LYS  19          2HZ       LYS  19  19.893   1.940 -14.208
  145   2HZ   LYS  19          1HZ       LYS  19  21.106   1.729 -13.036
  146   3HZ   LYS  19          3HZ       LYS  19  21.474   2.486 -14.509
  147    H    LEU  20           H        LEU  20  17.887  -3.461 -15.081
  148    HA   LEU  20           HA       LEU  20  16.712  -3.532 -17.826
  149   1HB   LEU  20          2HB       LEU  20  15.738  -5.202 -16.357
  150   2HB   LEU  20          1HB       LEU  20  15.457  -3.993 -15.104
  151    HG   LEU  20           HG       LEU  20  14.032  -2.757 -16.852
  152   1HD1  LEU  20          1HD1      LEU  20  15.077  -4.557 -18.588
  153   2HD1  LEU  20          3HD1      LEU  20  13.572  -5.375 -18.169
  154   3HD1  LEU  20          2HD1      LEU  20  13.532  -3.749 -18.851
  155   1HD2  LEU  20          3HD2      LEU  20  13.197  -5.475 -15.800
  156   2HD2  LEU  20          2HD2      LEU  20  13.016  -3.926 -14.977
  157   3HD2  LEU  20          1HD2      LEU  20  12.078  -4.267 -16.431
  158    H    PHE  21           H        PHE  21  16.559  -1.462 -18.584
  159    HA   PHE  21           HA       PHE  21  16.134   0.786 -16.742
  160   1HB   PHE  21          2HB       PHE  21  16.385   0.599 -19.756
  161   2HB   PHE  21          1HB       PHE  21  16.110   2.117 -18.901
  162    HD1  PHE  21           HD1      PHE  21  18.378  -0.874 -18.811
  163    HD2  PHE  21           HD2      PHE  21  17.955   3.355 -18.192
  164    HE1  PHE  21           HE1      PHE  21  20.805  -0.701 -18.331
  165    HE2  PHE  21           HE2      PHE  21  20.381   3.528 -17.713
  166    HZ   PHE  21           HZ       PHE  21  21.807   1.500 -17.782
  167    H    CYS  22           H        CYS  22  14.077   0.960 -15.945
  168    HA   CYS  22           HA       CYS  22  11.811   0.489 -17.826
  169   1HB   CYS  22          2HB       CYS  22  11.705   0.662 -14.807
  170   2HB   CYS  22          1HB       CYS  22  10.434   0.092 -15.888
  171    HA   PRO  23           HA       PRO  23  11.889   5.097 -17.334
  172   1HB   PRO  23          2HB       PRO  23  11.184   5.611 -19.889
  173   2HB   PRO  23          1HB       PRO  23  12.856   5.336 -19.396
  174   1HG   PRO  23          2HG       PRO  23  10.926   3.460 -20.699
  175   2HG   PRO  23          1HG       PRO  23  12.648   3.684 -21.017
  176   1HD   PRO  23          2HD       PRO  23  11.674   1.626 -19.526
  177   2HD   PRO  23          1HD       PRO  23  13.276   2.319 -19.275
  178    H    GLN  24           H        GLN  24  10.011   6.628 -18.281
  179    HA   GLN  24           HA       GLN  24   7.506   5.468 -17.278
  180   1HB   GLN  24          2HB       GLN  24   8.228   8.223 -18.316
  181   2HB   GLN  24          1HB       GLN  24   6.617   7.788 -17.744
  182   1HG   GLN  24          2HG       GLN  24   9.140   7.490 -16.088
  183   2HG   GLN  24          1HG       GLN  24   8.052   8.874 -15.985
  184   1HE2  GLN  24          1HE2      GLN  24   8.722   6.120 -14.350
  185   2HE2  GLN  24          2HE2      GLN  24   7.177   5.718 -13.773
  186    H    ASP  25           H        ASP  25   6.136   4.398 -18.617
  187    HA   ASP  25           HA       ASP  25   6.387   4.799 -21.543
  188   1HB   ASP  25          2HB       ASP  25   6.335   2.488 -20.607
  189   2HB   ASP  25          1HB       ASP  25   4.710   2.799 -19.997
  190    H    LYS  26           H        LYS  26   4.890   5.939 -22.693
  191    HA   LYS  26           HA       LYS  26   2.828   7.425 -21.335
  192   1HB   LYS  26          2HB       LYS  26   3.954   8.189 -23.431
  193   2HB   LYS  26          1HB       LYS  26   3.129   6.900 -24.307
  194   1HG   LYS  26          2HG       LYS  26   0.943   7.848 -23.577
  195   2HG   LYS  26          1HG       LYS  26   1.806   9.174 -22.797
  196   1HD   LYS  26          2HD       LYS  26   2.834   9.729 -25.020
  197   2HD   LYS  26          1HD       LYS  26   1.806   8.498 -25.754
  198   1HE   LYS  26          2HE       LYS  26  -0.173   9.694 -25.267
  199   2HE   LYS  26          1HE       LYS  26   0.630  10.703 -24.064
  200   1HZ   LYS  26          1HZ       LYS  26   1.175  10.752 -26.983
  201   2HZ   LYS  26          3HZ       LYS  26   0.245  11.894 -26.142
  202   3HZ   LYS  26          2HZ       LYS  26   1.906  11.745 -25.814
  203    H    LYS  27           H        LYS  27   2.886   4.397 -23.125
  204    HA   LYS  27           HA       LYS  27  -0.056   4.178 -23.044
  205   1HB   LYS  27          2HB       LYS  27   2.181   2.664 -24.311
  206   2HB   LYS  27          1HB       LYS  27   0.712   1.763 -23.931
  207   1HG   LYS  27          2HG       LYS  27  -0.173   2.588 -25.836
  208   2HG   LYS  27          1HG       LYS  27  -0.193   4.169 -25.054
  209   1HD   LYS  27          2HD       LYS  27   1.070   4.618 -26.964
  210   2HD   LYS  27          1HD       LYS  27   2.334   4.244 -25.792
  211   1HE   LYS  27          2HE       LYS  27   3.014   2.499 -27.041
  212   2HE   LYS  27          1HE       LYS  27   1.398   1.796 -26.978
  213   1HZ   LYS  27          3HZ       LYS  27   0.859   3.542 -28.761
  214   2HZ   LYS  27          2HZ       LYS  27   2.542   3.631 -28.981
  215   3HZ   LYS  27          1HZ       LYS  27   1.727   2.159 -29.220
  216    HA   PRO  28           HA       PRO  28   0.246   2.282 -18.975
  217   1HB   PRO  28          2HB       PRO  28  -2.395   1.787 -18.696
  218   2HB   PRO  28          1HB       PRO  28  -1.687   3.388 -18.466
  219   1HG   PRO  28          2HG       PRO  28  -3.111   2.268 -20.851
  220   2HG   PRO  28          1HG       PRO  28  -3.271   3.864 -20.109
  221   1HD   PRO  28          1HD       PRO  28  -1.801   3.457 -22.342
  222   2HD   PRO  28          2HD       PRO  28  -1.369   4.676 -21.141
  223    H    ILE  29           H        ILE  29   0.305   0.159 -18.244
  224    HA   ILE  29           HA       ILE  29  -0.716  -1.931 -20.124
  225    HB   ILE  29           HB       ILE  29   1.969  -1.555 -18.907
  226   1HG1  ILE  29          2HG1      ILE  29   1.372  -1.470 -21.366
  227   2HG1  ILE  29          1HG1      ILE  29   2.678  -2.586 -20.961
  228   1HG2  ILE  29          2HG2      ILE  29   1.091  -3.558 -17.669
  229   2HG2  ILE  29          1HG2      ILE  29   0.814  -4.343 -19.224
  230   3HG2  ILE  29          3HG2      ILE  29   2.456  -3.934 -18.722
  231   1HD1  ILE  29          2HD1      ILE  29   0.221  -4.001 -20.668
  232   2HD1  ILE  29          1HD1      ILE  29   0.170  -3.169 -22.223
  233   3HD1  ILE  29          3HD1      ILE  29   1.494  -4.276 -21.858
  234    H    GLN  30           H        GLN  30  -2.369  -2.988 -19.126
  235    HA   GLN  30           HA       GLN  30  -2.577  -2.947 -16.196
  236   1HB   GLN  30          2HB       GLN  30  -4.326  -4.371 -18.223
  237   2HB   GLN  30          1HB       GLN  30  -4.716  -4.056 -16.531
  238   1HG   GLN  30          2HG       GLN  30  -4.572  -1.615 -16.976
  239   2HG   GLN  30          1HG       GLN  30  -4.256  -1.961 -18.677
  240   1HE2  GLN  30          1HE2      GLN  30  -6.626  -0.546 -17.518
  241   2HE2  GLN  30          2HE2      GLN  30  -7.981  -1.450 -17.994
  242    H    SER  31           H        SER  31  -0.887  -4.245 -15.432
  243    HA   SER  31           HA       SER  31  -0.408  -6.899 -16.555
  244   1HB   SER  31          2HB       SER  31   1.095  -5.112 -15.067
  245   2HB   SER  31          1HB       SER  31   0.711  -6.380 -13.897
  246    HG   SER  31           HG       SER  31   1.305  -7.707 -15.995
  247    H    LEU  32           H        LEU  32  -0.075  -8.563 -14.415
  248    HA   LEU  32           HA       LEU  32  -2.813  -8.659 -13.209
  249   1HB   LEU  32          2HB       LEU  32  -2.119 -11.268 -13.223
  250   2HB   LEU  32          1HB       LEU  32  -2.973 -10.501 -14.561
  251    HG   LEU  32           HG       LEU  32  -0.747 -10.012 -15.620
  252   1HD1  LEU  32          3HD1      LEU  32   0.136 -11.210 -13.069
  253   2HD1  LEU  32          2HD1      LEU  32   0.978 -11.816 -14.495
  254   3HD1  LEU  32          1HD1      LEU  32   0.980 -10.089 -14.137
  255   1HD2  LEU  32          1HD2      LEU  32  -1.457 -12.891 -14.997
  256   2HD2  LEU  32          3HD2      LEU  32  -1.966 -11.945 -16.396
  257   3HD2  LEU  32          2HD2      LEU  32  -0.276 -12.424 -16.222
  258    H    ASP  33           H        ASP  33   0.440  -8.346 -12.472
  259    HA   ASP  33           HA       ASP  33   0.383  -9.965 -10.017
  260   1HB   ASP  33          2HB       ASP  33   2.385  -7.998 -11.144
  261   2HB   ASP  33          1HB       ASP  33   2.606  -8.818  -9.601
  262    H    GLY  34           H        GLY  34  -1.273  -7.332 -10.737
  263   1HA   GLY  34          1HA       GLY  34  -1.168  -6.327  -7.953
  264   2HA   GLY  34          2HA       GLY  34  -2.443  -5.986  -9.122
  265    H    ILE  35           H        ILE  35   0.379  -5.629 -10.786
  266    HA   ILE  35           HA       ILE  35   0.535  -2.719 -10.106
  267    HB   ILE  35           HB       ILE  35   2.800  -4.250 -11.377
  268   1HG1  ILE  35          2HG1      ILE  35   2.618  -3.800  -8.404
  269   2HG1  ILE  35          1HG1      ILE  35   1.950  -5.263  -9.127
  270   1HG2  ILE  35          2HG2      ILE  35   2.699  -1.712 -11.275
  271   2HG2  ILE  35          1HG2      ILE  35   2.801  -1.859  -9.521
  272   3HG2  ILE  35          3HG2      ILE  35   4.126  -2.436 -10.532
  273   1HD1  ILE  35          1HD1      ILE  35   4.736  -4.432  -9.870
  274   2HD1  ILE  35          3HD1      ILE  35   4.468  -5.210  -8.310
  275   3HD1  ILE  35          2HD1      ILE  35   4.034  -6.048  -9.799
  276    H    MET  36           H        MET  36   0.437  -1.286 -11.842
  277    HA   MET  36           HA       MET  36  -0.429  -2.468 -14.415
  278   1HB   MET  36          2HB       MET  36  -0.378   0.401 -13.429
  279   2HB   MET  36          1HB       MET  36  -1.023  -0.117 -14.986
  280   1HG   MET  36          2HG       MET  36  -2.628  -1.602 -13.797
  281   2HG   MET  36          1HG       MET  36  -2.014  -0.999 -12.257
  282   1HE   MET  36          2HE       MET  36  -3.870  -0.373 -15.489
  283   2HE   MET  36          1HE       MET  36  -4.312   1.332 -15.475
  284   3HE   MET  36          3HE       MET  36  -2.624   0.853 -15.702
  285    H    PHE  37           H        PHE  37   1.089  -2.816 -15.951
  286    HA   PHE  37           HA       PHE  37   2.945  -2.473 -17.336
  287   1HB   PHE  37          2HB       PHE  37   2.033  -0.211 -17.618
  288   2HB   PHE  37          1HB       PHE  37   2.848   0.308 -16.145
  289    HD1  PHE  37           HD1      PHE  37   5.352   0.309 -16.032
  290    HD2  PHE  37           HD2      PHE  37   3.225  -0.424 -19.691
  291    HE1  PHE  37           HE1      PHE  37   7.420   0.757 -17.324
  292    HE2  PHE  37           HE2      PHE  37   5.292   0.023 -20.983
  293    HZ   PHE  37           HZ       PHE  37   7.391   0.614 -19.800
  294    H    ILE  38           H        ILE  38   3.646  -0.568 -14.393
  295    HA   ILE  38           HA       ILE  38   6.367  -1.038 -14.190
  296    HB   ILE  38           HB       ILE  38   4.317  -1.027 -11.955
  297   1HG1  ILE  38          2HG1      ILE  38   6.186   1.110 -13.025
  298   2HG1  ILE  38          1HG1      ILE  38   4.450   1.034 -13.323
  299   1HG2  ILE  38          2HG2      ILE  38   7.164  -1.602 -11.930
  300   2HG2  ILE  38          1HG2      ILE  38   6.809  -0.142 -11.006
  301   3HG2  ILE  38          3HG2      ILE  38   6.007  -1.659 -10.600
  302   1HD1  ILE  38          3HD1      ILE  38   4.406   0.881 -10.643
  303   2HD1  ILE  38          2HD1      ILE  38   5.918   1.768 -10.834
  304   3HD1  ILE  38          1HD1      ILE  38   4.420   2.428 -11.490
  305    H    ASN  39           H        ASN  39   3.771  -3.327 -13.735
  306    HA   ASN  39           HA       ASN  39   5.136  -5.339 -12.277
  307   1HB   ASN  39          2HB       ASN  39   2.686  -5.354 -12.868
  308   2HB   ASN  39          1HB       ASN  39   3.142  -5.805 -14.510
  309   1HD2  ASN  39          1HD2      ASN  39   2.356  -7.987 -14.479
  310   2HD2  ASN  39          2HD2      ASN  39   2.969  -9.173 -13.431
  311    H    LYS  40           H        LYS  40   4.780  -5.064 -15.850
  312    HA   LYS  40           HA       LYS  40   6.378  -7.187 -16.629
  313   1HB   LYS  40          2HB       LYS  40   6.400  -4.404 -17.840
  314   2HB   LYS  40          1HB       LYS  40   6.999  -5.860 -18.636
  315   1HG   LYS  40          2HG       LYS  40   4.149  -5.434 -17.684
  316   2HG   LYS  40          1HG       LYS  40   4.691  -5.312 -19.357
  317   1HD   LYS  40          2HD       LYS  40   5.427  -7.668 -19.290
  318   2HD   LYS  40          1HD       LYS  40   4.880  -7.791 -17.617
  319   1HE   LYS  40          2HE       LYS  40   3.024  -6.938 -19.846
  320   2HE   LYS  40          1HE       LYS  40   3.258  -8.636 -19.428
  321   1HZ   LYS  40          2HZ       LYS  40   2.856  -7.515 -17.023
  322   2HZ   LYS  40          1HZ       LYS  40   1.844  -6.563 -18.001
  323   3HZ   LYS  40          3HZ       LYS  40   1.639  -8.246 -17.956
  324    H    CYS  41           H        CYS  41   7.467  -3.988 -15.574
  325    HA   CYS  41           HA       CYS  41  10.282  -4.544 -15.894
  326   1HB   CYS  41          2HB       CYS  41   9.429  -2.248 -15.710
  327   2HB   CYS  41          1HB       CYS  41   8.835  -2.580 -14.089
  328    H    ALA  42           H        ALA  42   8.268  -4.289 -12.976
  329    HA   ALA  42           HA       ALA  42  10.167  -5.369 -11.165
  330   1HB   ALA  42          1HB       ALA  42   7.265  -4.842 -11.166
  331   2HB   ALA  42          2HB       ALA  42   8.476  -4.479  -9.937
  332   3HB   ALA  42          3HB       ALA  42   7.789  -6.100 -10.048
  333    H    THR  43           H        THR  43   8.172  -6.983 -13.530
  334    HA   THR  43           HA       THR  43   8.689  -9.595 -12.187
  335    HB   THR  43           HB       THR  43   7.102 -10.463 -13.975
  336    HG1  THR  43           HG1      THR  43   7.274  -8.788 -15.439
  337   1HG2  THR  43          3HG2      THR  43   6.194  -8.341 -12.016
  338   2HG2  THR  43          2HG2      THR  43   5.093  -9.433 -12.857
  339   3HG2  THR  43          1HG2      THR  43   6.290 -10.080 -11.735
  340    H    CYS  44           H        CYS  44   9.085  -7.970 -15.337
  341    HA   CYS  44           HA       CYS  44  10.463 -10.140 -16.586
  342   1HB   CYS  44          2HB       CYS  44  10.584  -7.162 -17.130
  343   2HB   CYS  44          1HB       CYS  44  11.289  -8.394 -18.176
  344    H    LYS  45           H        LYS  45  11.544  -7.576 -14.423
  345    HA   LYS  45           HA       LYS  45  14.316  -7.637 -14.895
  346   1HB   LYS  45          2HB       LYS  45  12.653  -7.238 -12.423
  347   2HB   LYS  45          1HB       LYS  45  14.403  -7.380 -12.262
  348   1HG   LYS  45          2HG       LYS  45  14.485  -5.607 -14.172
  349   2HG   LYS  45          1HG       LYS  45  12.807  -5.291 -13.730
  350   1HD   LYS  45          2HD       LYS  45  13.716  -5.138 -11.296
  351   2HD   LYS  45          1HD       LYS  45  15.292  -4.942 -12.062
  352   1HE   LYS  45          2HE       LYS  45  14.214  -3.088 -13.464
  353   2HE   LYS  45          1HE       LYS  45  12.853  -3.176 -12.347
  354   1HZ   LYS  45          3HZ       LYS  45  15.580  -2.928 -11.283
  355   2HZ   LYS  45          2HZ       LYS  45  14.799  -1.547 -11.892
  356   3HZ   LYS  45          1HZ       LYS  45  14.112  -2.418 -10.605
  357    H    MET  46           H        MET  46  12.274  -9.925 -13.130
  358    HA   MET  46           HA       MET  46  14.559 -11.600 -12.373
  359   1HB   MET  46          2HB       MET  46  11.558 -12.020 -12.216
  360   2HB   MET  46          1HB       MET  46  12.740 -13.195 -11.641
  361   1HG   MET  46          2HG       MET  46  13.693 -11.449 -10.138
  362   2HG   MET  46          1HG       MET  46  12.433 -10.337 -10.670
  363   1HE   MET  46          1HE       MET  46  12.082  -9.865  -8.528
  364   2HE   MET  46          3HE       MET  46  10.709 -10.541  -7.641
  365   3HE   MET  46          2HE       MET  46  12.348 -11.062  -7.263
  366    H    ILE  47           H        ILE  47  12.045 -11.518 -14.846
  367    HA   ILE  47           HA       ILE  47  12.685 -14.099 -15.995
  368    HB   ILE  47           HB       ILE  47  11.306 -11.673 -17.192
  369   1HG1  ILE  47          2HG1      ILE  47  10.138 -14.223 -16.042
  370   2HG1  ILE  47          1HG1      ILE  47  10.221 -12.691 -15.172
  371   1HG2  ILE  47          2HG2      ILE  47  11.991 -14.353 -18.250
  372   2HG2  ILE  47          1HG2      ILE  47  10.329 -13.831 -18.526
  373   3HG2  ILE  47          3HG2      ILE  47  11.671 -12.849 -19.114
  374   1HD1  ILE  47          3HD1      ILE  47   8.956 -12.822 -17.901
  375   2HD1  ILE  47          2HD1      ILE  47   8.032 -13.277 -16.470
  376   3HD1  ILE  47          1HD1      ILE  47   8.688 -11.647 -16.613
  377    H    LEU  48           H        LEU  48  14.060 -10.937 -16.143
  378    HA   LEU  48           HA       LEU  48  15.448 -11.311 -18.683
  379   1HB   LEU  48          2HB       LEU  48  15.294  -9.240 -16.565
  380   2HB   LEU  48          1HB       LEU  48  16.825  -9.322 -17.437
  381    HG   LEU  48           HG       LEU  48  15.759  -8.970 -19.538
  382   1HD1  LEU  48          1HD1      LEU  48  13.829 -10.503 -19.073
  383   2HD1  LEU  48          3HD1      LEU  48  13.089  -9.213 -18.125
  384   3HD1  LEU  48          2HD1      LEU  48  13.349  -8.998 -19.855
  385   1HD2  LEU  48          1HD2      LEU  48  14.716  -7.222 -17.325
  386   2HD2  LEU  48          3HD2      LEU  48  15.921  -6.849 -18.558
  387   3HD2  LEU  48          2HD2      LEU  48  14.212  -6.929 -18.991
  388    H    GLU  49           H        GLU  49  16.303 -11.546 -15.238
  389    HA   GLU  49           HA       GLU  49  19.075 -12.154 -15.644
  390   1HB   GLU  49          2HB       GLU  49  17.230 -12.985 -13.381
  391   2HB   GLU  49          1HB       GLU  49  18.991 -13.067 -13.342
  392   1HG   GLU  49          2HG       GLU  49  19.163 -10.657 -13.572
  393   2HG   GLU  49          1HG       GLU  49  17.421 -10.516 -13.807
  394    H    LYS  50           H        LYS  50  16.159 -14.150 -15.602
  395    HA   LYS  50           HA       LYS  50  17.208 -16.721 -15.405
  396   1HB   LYS  50          2HB       LYS  50  15.032 -15.692 -17.247
  397   2HB   LYS  50          1HB       LYS  50  15.364 -17.405 -16.991
  398   1HG   LYS  50          2HG       LYS  50  15.039 -17.019 -14.521
  399   2HG   LYS  50          1HG       LYS  50  14.512 -15.380 -14.903
  400   1HD   LYS  50          2HD       LYS  50  12.762 -16.382 -16.419
  401   2HD   LYS  50          1HD       LYS  50  13.219 -17.970 -15.803
  402   1HE   LYS  50          2HE       LYS  50  12.106 -17.646 -13.858
  403   2HE   LYS  50          1HE       LYS  50  12.749 -16.014 -13.671
  404   1HZ   LYS  50          1HZ       LYS  50  11.030 -15.847 -15.791
  405   2HZ   LYS  50          3HZ       LYS  50  10.222 -16.855 -14.691
  406   3HZ   LYS  50          2HZ       LYS  50  10.731 -15.307 -14.208
  407    H    GLU  51           H        GLU  51  17.266 -14.563 -18.221
  408    HA   GLU  51           HA       GLU  51  18.236 -16.390 -20.150
  409   1HB   GLU  51          2HB       GLU  51  18.867 -13.442 -19.814
  410   2HB   GLU  51          1HB       GLU  51  19.216 -14.382 -21.264
  411   1HG   GLU  51          2HG       GLU  51  16.798 -14.923 -21.467
  412   2HG   GLU  51          1HG       GLU  51  16.472 -13.921 -20.053
  413    H    ALA  52           H        ALA  52  19.903 -14.743 -17.525
  414    HA   ALA  52           HA       ALA  52  22.582 -15.250 -18.412
  415   1HB   ALA  52          1HB       ALA  52  21.397 -13.984 -16.229
  416   2HB   ALA  52          2HB       ALA  52  23.129 -14.179 -16.498
  417   3HB   ALA  52          3HB       ALA  52  22.253 -15.349 -15.513
  418    H    LYS  53           H        LYS  53  20.174 -17.253 -16.856
  419    HA   LYS  53           HA       LYS  53  21.914 -19.275 -15.820
  420   1HB   LYS  53          2HB       LYS  53  19.487 -19.078 -15.263
  421   2HB   LYS  53          1HB       LYS  53  19.099 -19.618 -16.897
  422   1HG   LYS  53          2HG       LYS  53  20.375 -21.716 -16.472
  423   2HG   LYS  53          1HG       LYS  53  20.658 -21.181 -14.816
  424   1HD   LYS  53          2HD       LYS  53  18.174 -21.041 -14.498
  425   2HD   LYS  53          1HD       LYS  53  17.971 -21.737 -16.106
  426   1HE   LYS  53          2HE       LYS  53  18.056 -23.754 -15.084
  427   2HE   LYS  53          1HE       LYS  53  19.783 -23.455 -14.890
  428   1HZ   LYS  53          3HZ       LYS  53  17.904 -22.322 -12.939
  429   2HZ   LYS  53          2HZ       LYS  53  18.306 -23.970 -12.834
  430   3HZ   LYS  53          1HZ       LYS  53  19.522 -22.787 -12.731
  431    H    SER  54           H        SER  54  20.565 -18.708 -19.034
  432    HA   SER  54           HA       SER  54  21.180 -21.226 -20.201
  433   1HB   SER  54          2HB       SER  54  21.305 -18.511 -21.548
  434   2HB   SER  54          1HB       SER  54  21.085 -20.070 -22.344
  435    HG   SER  54           HG       SER  54  19.275 -18.490 -21.053
  436    H    GLN  55           H        GLN  55  23.214 -18.487 -19.400
  437    HA   GLN  55           HA       GLN  55  25.522 -19.851 -20.717
  438   1HB   GLN  55          2HB       GLN  55  25.324 -17.004 -19.689
  439   2HB   GLN  55          1HB       GLN  55  26.665 -17.694 -20.604
  440   1HG   GLN  55          2HG       GLN  55  23.813 -17.388 -21.594
  441   2HG   GLN  55          1HG       GLN  55  25.187 -16.399 -22.087
  442   1HE2  GLN  55          1HE2      GLN  55  23.357 -18.741 -23.350
  443   2HE2  GLN  55          2HE2      GLN  55  24.515 -19.644 -24.201

  No H/Q in entry =         443
  Start of MODEL   23
    1    H1   LYS   1          2H        LYS   1  -2.395   8.458   9.890
    2    H2   LYS   1          1H        LYS   1  -1.752   9.507   8.718
    3    H3   LYS   1          3H        LYS   1  -2.880  10.086   9.845
    4    HA   LYS   1           HA       LYS   1  -3.988   9.777   7.760
    5   1HB   LYS   1          2HB       LYS   1  -2.914   6.949   7.982
    6   2HB   LYS   1          1HB       LYS   1  -4.072   7.492   6.769
    7   1HG   LYS   1          2HG       LYS   1  -2.410   9.195   6.007
    8   2HG   LYS   1          1HG       LYS   1  -1.248   8.532   7.156
    9   1HD   LYS   1          2HD       LYS   1  -1.482   6.307   6.035
   10   2HD   LYS   1          1HD       LYS   1  -2.533   7.059   4.835
   11   1HE   LYS   1          2HE       LYS   1  -0.791   8.360   3.942
   12   2HE   LYS   1          1HE       LYS   1   0.201   8.194   5.391
   13   1HZ   LYS   1          3HZ       LYS   1   0.266   5.746   4.838
   14   2HZ   LYS   1          2HZ       LYS   1  -0.357   6.163   3.313
   15   3HZ   LYS   1          1HZ       LYS   1   1.149   6.770   3.814
   16    H    ASN   2           H        ASN   2  -4.012   8.792  10.877
   17    HA   ASN   2           HA       ASN   2  -6.160   6.962  11.105
   18   1HB   ASN   2          2HB       ASN   2  -4.659   7.834  12.972
   19   2HB   ASN   2          1HB       ASN   2  -5.670   9.278  12.991
   20   1HD2  ASN   2          1HD2      ASN   2  -5.813   8.006  15.342
   21   2HD2  ASN   2          2HD2      ASN   2  -7.209   7.053  15.490
   22    H    GLU   3           H        GLU   3  -6.156  10.446  10.545
   23    HA   GLU   3           HA       GLU   3  -8.948  10.889  11.014
   24   1HB   GLU   3          2HB       GLU   3  -7.005  12.334   9.186
   25   2HB   GLU   3          1HB       GLU   3  -8.618  12.920   9.595
   26   1HG   GLU   3          2HG       GLU   3  -7.987  12.888  12.004
   27   2HG   GLU   3          1HG       GLU   3  -6.358  12.388  11.548
   28    H    ASP   4           H        ASP   4  -7.145   9.710   8.223
   29    HA   ASP   4           HA       ASP   4  -9.179   9.969   6.252
   30   1HB   ASP   4          2HB       ASP   4  -7.112   7.763   6.515
   31   2HB   ASP   4          1HB       ASP   4  -7.987   8.195   5.046
   32    H    GLN   5           H        GLN   5  -8.766   7.684   8.873
   33    HA   GLN   5           HA       GLN   5 -10.537   5.645   7.935
   34   1HB   GLN   5          2HB       GLN   5  -8.971   5.451   9.902
   35   2HB   GLN   5          1HB       GLN   5 -10.083   6.469  10.816
   36   1HG   GLN   5          2HG       GLN   5 -11.889   4.839  10.467
   37   2HG   GLN   5          1HG       GLN   5 -10.808   3.831   9.505
   38   1HE2  GLN   5          1HE2      GLN   5 -11.878   2.597  11.721
   39   2HE2  GLN   5          2HE2      GLN   5 -10.721   2.455  12.955
   40    H    GLU   6           H        GLU   6 -11.106   8.685   9.653
   41    HA   GLU   6           HA       GLU   6 -13.844   8.233  10.320
   42   1HB   GLU   6          2HB       GLU   6 -12.404  10.823   9.672
   43   2HB   GLU   6          1HB       GLU   6 -13.999  10.718  10.417
   44   1HG   GLU   6          2HG       GLU   6 -13.014   9.420  12.292
   45   2HG   GLU   6          1HG       GLU   6 -11.421   9.593  11.556
   46    H    MET   7           H        MET   7 -12.324   9.584   7.397
   47    HA   MET   7           HA       MET   7 -14.745  10.301   6.061
   48   1HB   MET   7          2HB       MET   7 -12.133   9.354   4.839
   49   2HB   MET   7          1HB       MET   7 -13.403  10.248   4.004
   50   1HG   MET   7          2HG       MET   7 -11.882  11.261   6.425
   51   2HG   MET   7          1HG       MET   7 -11.544  11.725   4.757
   52   1HE   MET   7          1HE       MET   7 -13.304  12.516   3.161
   53   2HE   MET   7          3HE       MET   7 -14.739  11.629   3.693
   54   3HE   MET   7          2HE       MET   7 -14.781  13.386   3.571
   55    H    CYS   8           H        CYS   8 -13.303   7.232   6.720
   56    HA   CYS   8           HA       CYS   8 -14.648   5.811   4.555
   57   1HB   CYS   8          2HB       CYS   8 -13.271   4.829   7.070
   58   2HB   CYS   8          1HB       CYS   8 -13.879   3.778   5.791
   59    H    HIS   9           H        HIS   9 -15.395   6.707   7.849
   60    HA   HIS   9           HA       HIS   9 -17.459   4.829   8.390
   61   1HB   HIS   9          2HB       HIS   9 -16.879   6.140  10.241
   62   2HB   HIS   9          1HB       HIS   9 -16.860   7.632   9.305
   63    HD1  HIS   9           HD1      HIS   9 -19.399   8.271   8.316
   64    HD2  HIS   9           HD2      HIS   9 -19.190   5.895  11.735
   65    HE1  HIS   9           HE1      HIS   9 -21.664   8.423   9.431
   66    H    GLU  10           H        GLU  10 -17.509   7.920   6.641
   67    HA   GLU  10           HA       GLU  10 -20.352   7.930   6.180
   68   1HB   GLU  10          2HB       GLU  10 -18.060   9.305   4.756
   69   2HB   GLU  10          1HB       GLU  10 -19.758   9.595   4.377
   70   1HG   GLU  10          2HG       GLU  10 -20.138  10.227   6.765
   71   2HG   GLU  10          1HG       GLU  10 -18.408  10.044   7.056
   72    H    PHE  11           H        PHE  11 -17.581   6.765   4.240
   73    HA   PHE  11           HA       PHE  11 -19.132   6.083   1.940
   74   1HB   PHE  11          2HB       PHE  11 -16.420   5.871   2.724
   75   2HB   PHE  11          1HB       PHE  11 -16.938   4.241   2.291
   76    HD1  PHE  11           HD1      PHE  11 -19.136   5.154   0.321
   77    HD2  PHE  11           HD2      PHE  11 -15.003   6.248   0.772
   78    HE1  PHE  11           HE1      PHE  11 -19.032   5.764  -2.074
   79    HE2  PHE  11           HE2      PHE  11 -14.909   6.855  -1.626
   80    HZ   PHE  11           HZ       PHE  11 -16.921   6.616  -3.051
   81    H    GLN  12           H        GLN  12 -18.812   4.561   5.036
   82    HA   GLN  12           HA       GLN  12 -19.512   1.878   4.281
   83   1HB   GLN  12          2HB       GLN  12 -18.619   2.394   6.510
   84   2HB   GLN  12          1HB       GLN  12 -20.036   3.382   6.867
   85   1HG   GLN  12          2HG       GLN  12 -21.486   1.408   6.642
   86   2HG   GLN  12          1HG       GLN  12 -20.085   0.413   6.242
   87   1HE2  GLN  12          1HE2      GLN  12 -21.312  -0.560   8.404
   88   2HE2  GLN  12          2HE2      GLN  12 -20.556  -0.106   9.854
   89    H    ALA  13           H        ALA  13 -21.410   4.786   4.894
   90    HA   ALA  13           HA       ALA  13 -23.980   3.560   5.075
   91   1HB   ALA  13          1HB       ALA  13 -23.910   5.850   5.653
   92   2HB   ALA  13          2HB       ALA  13 -24.741   5.844   4.098
   93   3HB   ALA  13          3HB       ALA  13 -23.035   6.284   4.184
   94    H    PHE  14           H        PHE  14 -21.989   4.508   2.310
   95    HA   PHE  14           HA       PHE  14 -24.079   3.811   0.376
   96   1HB   PHE  14          2HB       PHE  14 -21.127   4.393  -0.021
   97   2HB   PHE  14          1HB       PHE  14 -22.324   4.254  -1.307
   98    HD1  PHE  14           HD1      PHE  14 -24.318   5.855  -1.290
   99    HD2  PHE  14           HD2      PHE  14 -20.827   6.429   1.145
  100    HE1  PHE  14           HE1      PHE  14 -24.921   8.242  -0.989
  101    HE2  PHE  14           HE2      PHE  14 -21.429   8.816   1.446
  102    HZ   PHE  14           HZ       PHE  14 -23.477   9.722   0.379
  103    H    MET  15           H        MET  15 -22.165   1.987   2.347
  104    HA   MET  15           HA       MET  15 -21.333  -0.052   0.422
  105   1HB   MET  15          2HB       MET  15 -20.141   0.426   2.602
  106   2HB   MET  15          1HB       MET  15 -21.521  -0.286   3.439
  107   1HG   MET  15          2HG       MET  15 -21.185  -2.374   2.109
  108   2HG   MET  15          1HG       MET  15 -19.731  -1.661   1.412
  109   1HE   MET  15          1HE       MET  15 -21.434  -1.651   4.909
  110   2HE   MET  15          3HE       MET  15 -21.431  -3.344   4.393
  111   3HE   MET  15          2HE       MET  15 -20.476  -2.842   5.787
  112    H    LYS  16           H        LYS  16 -22.613  -1.692  -0.303
  113    HA   LYS  16           HA       LYS  16 -24.992  -2.453   1.334
  114   1HB   LYS  16          2HB       LYS  16 -24.990  -2.022  -1.669
  115   2HB   LYS  16          1HB       LYS  16 -26.363  -2.557  -0.699
  116   1HG   LYS  16          2HG       LYS  16 -26.187  -0.423   0.614
  117   2HG   LYS  16          1HG       LYS  16 -24.940   0.114  -0.511
  118   1HD   LYS  16          2HD       LYS  16 -26.517  -0.062  -2.380
  119   2HD   LYS  16          1HD       LYS  16 -27.763  -0.673  -1.293
  120   1HE   LYS  16          2HE       LYS  16 -27.807   1.418  -0.071
  121   2HE   LYS  16          1HE       LYS  16 -26.419   2.025  -0.973
  122   1HZ   LYS  16          1HZ       LYS  16 -28.544   1.150  -2.677
  123   2HZ   LYS  16          3HZ       LYS  16 -29.037   2.388  -1.628
  124   3HZ   LYS  16          2HZ       LYS  16 -27.709   2.630  -2.660
  125    H    ASN  17           H        ASN  17 -25.585  -4.656   1.148
  126    HA   ASN  17           HA       ASN  17 -25.094  -6.943   0.917
  127   1HB   ASN  17          2HB       ASN  17 -24.237  -5.953  -1.821
  128   2HB   ASN  17          1HB       ASN  17 -24.545  -7.638  -1.399
  129   1HD2  ASN  17          1HD2      ASN  17 -26.081  -6.268  -3.416
  130   2HD2  ASN  17          2HD2      ASN  17 -27.675  -6.117  -2.853
  131    H    GLY  18           H        GLY  18 -22.929  -5.073   1.872
  132   1HA   GLY  18          1HA       GLY  18 -20.759  -7.026   1.796
  133   2HA   GLY  18          2HA       GLY  18 -20.734  -5.483   2.653
  134    H    LYS  19           H        LYS  19 -21.726  -4.381  -0.115
  135    HA   LYS  19           HA       LYS  19 -19.019  -4.294  -1.383
  136   1HB   LYS  19          2HB       LYS  19 -21.011  -5.315  -2.674
  137   2HB   LYS  19          1HB       LYS  19 -21.618  -3.663  -2.780
  138   1HG   LYS  19          2HG       LYS  19 -18.827  -3.671  -3.462
  139   2HG   LYS  19          1HG       LYS  19 -19.649  -4.904  -4.419
  140   1HD   LYS  19          2HD       LYS  19 -21.448  -2.898  -4.632
  141   2HD   LYS  19          1HD       LYS  19 -19.973  -1.948  -4.453
  142   1HE   LYS  19          2HE       LYS  19 -18.946  -3.357  -6.280
  143   2HE   LYS  19          1HE       LYS  19 -20.534  -4.082  -6.531
  144   1HZ   LYS  19          2HZ       LYS  19 -21.288  -1.625  -6.681
  145   2HZ   LYS  19          1HZ       LYS  19 -19.653  -1.322  -7.030
  146   3HZ   LYS  19          3HZ       LYS  19 -20.554  -2.359  -8.025
  147    H    LEU  20           H        LEU  20 -18.077  -2.296  -1.509
  148    HA   LEU  20           HA       LEU  20 -19.533  -0.008  -0.374
  149   1HB   LEU  20          2HB       LEU  20 -17.229  -0.211   0.287
  150   2HB   LEU  20          1HB       LEU  20 -16.701  -0.366  -1.388
  151    HG   LEU  20           HG       LEU  20 -17.668   1.960  -1.779
  152   1HD1  LEU  20          2HD1      LEU  20 -18.650   1.532   0.822
  153   2HD1  LEU  20          1HD1      LEU  20 -17.388   2.752   0.992
  154   3HD1  LEU  20          3HD1      LEU  20 -18.738   3.026  -0.111
  155   1HD2  LEU  20          2HD2      LEU  20 -15.349   1.444   0.079
  156   2HD2  LEU  20          1HD2      LEU  20 -15.313   1.811  -1.647
  157   3HD2  LEU  20          3HD2      LEU  20 -15.741   3.069  -0.487
  158    H    PHE  21           H        PHE  21 -20.594   1.471  -1.599
  159    HA   PHE  21           HA       PHE  21 -20.165   1.387  -4.548
  160   1HB   PHE  21          2HB       PHE  21 -22.460   2.376  -2.839
  161   2HB   PHE  21          1HB       PHE  21 -22.352   2.701  -4.569
  162    HD1  PHE  21           HD1      PHE  21 -22.310  -0.084  -2.074
  163    HD2  PHE  21           HD2      PHE  21 -23.072   1.094  -6.134
  164    HE1  PHE  21           HE1      PHE  21 -23.237  -2.334  -2.553
  165    HE2  PHE  21           HE2      PHE  21 -23.999  -1.156  -6.613
  166    HZ   PHE  21           HZ       PHE  21 -24.081  -2.870  -4.823
  167    H    CYS  22           H        CYS  22 -19.222   3.109  -5.534
  168    HA   CYS  22           HA       CYS  22 -18.625   5.506  -3.870
  169   1HB   CYS  22          2HB       CYS  22 -17.427   5.044  -6.582
  170   2HB   CYS  22          1HB       CYS  22 -16.728   5.847  -5.178
  171    HA   PRO  23           HA       PRO  23 -21.950   6.922  -6.879
  172   1HB   PRO  23          2HB       PRO  23 -23.386   8.304  -5.055
  173   2HB   PRO  23          1HB       PRO  23 -23.634   6.583  -5.364
  174   1HG   PRO  23          2HG       PRO  23 -22.099   7.915  -3.165
  175   2HG   PRO  23          1HG       PRO  23 -23.200   6.536  -3.075
  176   1HD   PRO  23          2HD       PRO  23 -20.513   6.233  -3.088
  177   2HD   PRO  23          1HD       PRO  23 -21.598   5.044  -3.810
  178    H    GLN  24           H        GLN  24 -22.566   9.269  -7.289
  179    HA   GLN  24           HA       GLN  24 -20.180  10.932  -7.108
  180   1HB   GLN  24          2HB       GLN  24 -22.971  11.457  -8.165
  181   2HB   GLN  24          1HB       GLN  24 -21.660  12.633  -8.252
  182   1HG   GLN  24          2HG       GLN  24 -20.294  10.985  -9.512
  183   2HG   GLN  24          1HG       GLN  24 -21.644   9.851  -9.463
  184   1HE2  GLN  24          1HE2      GLN  24 -20.687  10.727 -11.972
  185   2HE2  GLN  24          2HE2      GLN  24 -21.837  11.751 -12.686
  186    H    ASP  25           H        ASP  25 -19.704  11.910  -5.194
  187    HA   ASP  25           HA       ASP  25 -21.842  12.627  -3.309
  188   1HB   ASP  25          2HB       ASP  25 -19.687  11.715  -2.490
  189   2HB   ASP  25          1HB       ASP  25 -18.849  13.113  -3.163
  190    H    LYS  26           H        LYS  26 -22.779  14.611  -3.224
  191    HA   LYS  26           HA       LYS  26 -22.311  16.636  -5.138
  192   1HB   LYS  26          2HB       LYS  26 -23.481  16.893  -2.351
  193   2HB   LYS  26          1HB       LYS  26 -23.617  18.111  -3.619
  194   1HG   LYS  26          2HG       LYS  26 -24.742  16.424  -5.071
  195   2HG   LYS  26          1HG       LYS  26 -24.677  15.271  -3.738
  196   1HD   LYS  26          2HD       LYS  26 -25.988  16.860  -2.339
  197   2HD   LYS  26          1HD       LYS  26 -26.107  17.946  -3.723
  198   1HE   LYS  26          2HE       LYS  26 -27.357  16.316  -4.987
  199   2HE   LYS  26          1HE       LYS  26 -27.061  15.071  -3.774
  200   1HZ   LYS  26          2HZ       LYS  26 -28.207  16.743  -2.201
  201   2HZ   LYS  26          1HZ       LYS  26 -28.834  17.415  -3.630
  202   3HZ   LYS  26          3HZ       LYS  26 -29.163  15.798  -3.239
  203    H    LYS  27           H        LYS  27 -20.806  16.070  -2.010
  204    HA   LYS  27           HA       LYS  27 -19.256  18.596  -2.302
  205   1HB   LYS  27          2HB       LYS  27 -20.214  17.027  -0.048
  206   2HB   LYS  27          1HB       LYS  27 -18.478  17.318   0.070
  207   1HG   LYS  27          2HG       LYS  27 -19.237  19.779  -0.669
  208   2HG   LYS  27          1HG       LYS  27 -20.738  19.269   0.105
  209   1HD   LYS  27          2HD       LYS  27 -18.596  18.444   1.790
  210   2HD   LYS  27          1HD       LYS  27 -18.294  20.124   1.345
  211   1HE   LYS  27          2HE       LYS  27 -19.712  20.502   3.116
  212   2HE   LYS  27          1HE       LYS  27 -20.930  20.295   1.858
  213   1HZ   LYS  27          2HZ       LYS  27 -20.716  17.811   2.479
  214   2HZ   LYS  27          1HZ       LYS  27 -20.067  18.399   3.935
  215   3HZ   LYS  27          3HZ       LYS  27 -21.638  18.838   3.470
  216    HA   PRO  28           HA       PRO  28 -15.881  16.153  -3.930
  217   1HB   PRO  28          2HB       PRO  28 -14.018  18.108  -3.894
  218   2HB   PRO  28          1HB       PRO  28 -15.296  18.020  -5.110
  219   1HG   PRO  28          2HG       PRO  28 -15.133  19.708  -2.644
  220   2HG   PRO  28          1HG       PRO  28 -15.688  20.151  -4.261
  221   1HD   PRO  28          1HD       PRO  28 -17.402  19.578  -2.239
  222   2HD   PRO  28          2HD       PRO  28 -17.784  19.246  -3.928
  223    H    ILE  29           H        ILE  29 -14.728  14.729  -2.721
  224    HA   ILE  29           HA       ILE  29 -13.690  15.614  -0.078
  225    HB   ILE  29           HB       ILE  29 -15.134  13.526  -0.310
  226   1HG1  ILE  29          2HG1      ILE  29 -13.459  14.071   1.563
  227   2HG1  ILE  29          1HG1      ILE  29 -13.949  12.387   1.394
  228   1HG2  ILE  29          3HG2      ILE  29 -13.092  12.915  -2.247
  229   2HG2  ILE  29          2HG2      ILE  29 -13.084  11.687  -0.981
  230   3HG2  ILE  29          1HG2      ILE  29 -14.565  12.021  -1.877
  231   1HD1  ILE  29          3HD1      ILE  29 -11.697  12.836  -0.319
  232   2HD1  ILE  29          2HD1      ILE  29 -11.311  13.470   1.278
  233   3HD1  ILE  29          1HD1      ILE  29 -11.803  11.788   1.093
  234    H    GLN  30           H        GLN  30 -11.459  15.347   0.433
  235    HA   GLN  30           HA       GLN  30  -9.704  15.323  -1.952
  236   1HB   GLN  30          2HB       GLN  30  -9.245  16.036   0.955
  237   2HB   GLN  30          1HB       GLN  30  -7.940  15.970  -0.230
  238   1HG   GLN  30          2HG       GLN  30  -9.169  17.618  -1.633
  239   2HG   GLN  30          1HG       GLN  30 -10.415  17.719  -0.390
  240   1HE2  GLN  30          1HE2      GLN  30  -9.013  20.062  -1.042
  241   2HE2  GLN  30          2HE2      GLN  30  -7.968  20.477   0.230
  242    H    SER  31           H        SER  31  -8.315  13.672  -2.413
  243    HA   SER  31           HA       SER  31  -8.513  11.235  -0.752
  244   1HB   SER  31          2HB       SER  31  -7.487  11.859  -3.510
  245   2HB   SER  31          1HB       SER  31  -7.033  10.353  -2.713
  246    HG   SER  31           HG       SER  31  -9.718  11.156  -2.765
  247    H    LEU  32           H        LEU  32  -6.118  10.010  -1.058
  248    HA   LEU  32           HA       LEU  32  -4.043  11.934  -0.173
  249   1HB   LEU  32          2HB       LEU  32  -5.009   9.535   1.393
  250   2HB   LEU  32          1HB       LEU  32  -3.442  10.288   1.686
  251    HG   LEU  32           HG       LEU  32  -4.856  12.506   1.804
  252   1HD1  LEU  32          2HD1      LEU  32  -6.874  10.388   1.687
  253   2HD1  LEU  32          1HD1      LEU  32  -7.059  11.426   3.102
  254   3HD1  LEU  32          3HD1      LEU  32  -7.064  12.130   1.484
  255   1HD2  LEU  32          3HD2      LEU  32  -4.085  10.492   3.746
  256   2HD2  LEU  32          2HD2      LEU  32  -4.050  12.249   3.894
  257   3HD2  LEU  32          1HD2      LEU  32  -5.523  11.360   4.281
  258    H    ASP  33           H        ASP  33  -4.855   8.707  -1.344
  259    HA   ASP  33           HA       ASP  33  -2.097   7.895  -1.706
  260   1HB   ASP  33          2HB       ASP  33  -4.559   6.887  -3.168
  261   2HB   ASP  33          1HB       ASP  33  -3.019   6.047  -2.987
  262    H    GLY  34           H        GLY  34  -2.850   7.097  -4.622
  263   1HA   GLY  34          1HA       GLY  34  -1.932   8.036  -6.623
  264   2HA   GLY  34          2HA       GLY  34  -1.776   9.586  -5.792
  265    H    ILE  35           H        ILE  35  -4.490   9.687  -4.760
  266    HA   ILE  35           HA       ILE  35  -5.882  10.240  -7.347
  267    HB   ILE  35           HB       ILE  35  -7.419   9.141  -5.005
  268   1HG1  ILE  35          1HG1      ILE  35  -6.613   7.285  -7.194
  269   2HG1  ILE  35          2HG1      ILE  35  -5.398   7.641  -5.969
  270   1HG2  ILE  35          1HG2      ILE  35  -7.889   9.878  -7.792
  271   2HG2  ILE  35          3HG2      ILE  35  -8.471   8.256  -7.419
  272   3HG2  ILE  35          2HG2      ILE  35  -9.049   9.636  -6.485
  273   1HD1  ILE  35          3HD1      ILE  35  -8.153   7.005  -5.022
  274   2HD1  ILE  35          2HD1      ILE  35  -7.179   5.672  -5.644
  275   3HD1  ILE  35          1HD1      ILE  35  -6.597   6.630  -4.281
  276    H    MET  36           H        MET  36  -8.023  11.532  -6.740
  277    HA   MET  36           HA       MET  36  -7.404  13.436  -4.525
  278   1HB   MET  36          2HB       MET  36  -7.939  14.033  -7.427
  279   2HB   MET  36          1HB       MET  36  -8.374  15.208  -6.185
  280   1HG   MET  36          2HG       MET  36  -6.005  15.025  -5.317
  281   2HG   MET  36          1HG       MET  36  -5.625  14.060  -6.744
  282   1HE   MET  36          3HE       MET  36  -6.380  14.836  -9.145
  283   2HE   MET  36          2HE       MET  36  -7.892  15.593  -8.652
  284   3HE   MET  36          1HE       MET  36  -6.730  16.508  -9.608
  285    H    PHE  37           H        PHE  37  -9.368  11.187  -4.819
  286    HA   PHE  37           HA       PHE  37 -11.613  12.413  -3.604
  287   1HB   PHE  37          2HB       PHE  37 -11.990  13.420  -5.822
  288   2HB   PHE  37          1HB       PHE  37 -12.023  11.812  -6.546
  289    HD1  PHE  37           HD1      PHE  37 -13.737  14.066  -4.143
  290    HD2  PHE  37           HD2      PHE  37 -13.966  10.423  -6.405
  291    HE1  PHE  37           HE1      PHE  37 -16.142  13.860  -3.567
  292    HE2  PHE  37           HE2      PHE  37 -16.370  10.217  -5.832
  293    HZ   PHE  37           HZ       PHE  37 -17.458  11.936  -4.413
  294    H    ILE  38           H        ILE  38 -11.777   9.992  -6.191
  295    HA   ILE  38           HA       ILE  38 -13.313   8.116  -4.808
  296    HB   ILE  38           HB       ILE  38 -12.616   6.494  -6.450
  297   1HG1  ILE  38          2HG1      ILE  38 -10.352   8.350  -7.206
  298   2HG1  ILE  38          1HG1      ILE  38 -10.138   7.005  -6.086
  299   1HG2  ILE  38          2HG2      ILE  38 -13.885   8.633  -7.148
  300   2HG2  ILE  38          1HG2      ILE  38 -12.353   9.159  -7.845
  301   3HG2  ILE  38          3HG2      ILE  38 -13.130   7.688  -8.431
  302   1HD1  ILE  38          2HD1      ILE  38 -11.532   5.942  -8.295
  303   2HD1  ILE  38          1HD1      ILE  38 -10.266   6.962  -8.978
  304   3HD1  ILE  38          3HD1      ILE  38  -9.845   5.658  -7.869
  305    H    ASN  39           H        ASN  39  -9.961   8.835  -4.270
  306    HA   ASN  39           HA       ASN  39  -8.846   6.463  -3.385
  307   1HB   ASN  39          2HB       ASN  39  -7.802   8.766  -3.253
  308   2HB   ASN  39          1HB       ASN  39  -8.694   9.005  -1.752
  309   1HD2  ASN  39          1HD2      ASN  39  -7.369   8.576   0.013
  310   2HD2  ASN  39          2HD2      ASN  39  -6.198   7.349   0.083
  311    H    LYS  40           H        LYS  40 -11.070   8.521  -1.471
  312    HA   LYS  40           HA       LYS  40 -11.100   7.006   0.881
  313   1HB   LYS  40          2HB       LYS  40 -13.400   8.426  -0.490
  314   2HB   LYS  40          1HB       LYS  40 -13.468   7.805   1.161
  315   1HG   LYS  40          2HG       LYS  40 -11.595   9.932   0.083
  316   2HG   LYS  40          1HG       LYS  40 -12.877  10.149   1.275
  317   1HD   LYS  40          2HD       LYS  40 -11.656   8.495   2.751
  318   2HD   LYS  40          1HD       LYS  40 -10.320   8.556   1.602
  319   1HE   LYS  40          2HE       LYS  40 -11.459  11.083   2.792
  320   2HE   LYS  40          1HE       LYS  40 -10.232  10.150   3.649
  321   1HZ   LYS  40          3HZ       LYS  40  -8.828  10.303   1.658
  322   2HZ   LYS  40          2HZ       LYS  40  -9.994  11.293   0.919
  323   3HZ   LYS  40          1HZ       LYS  40  -9.183  11.826   2.314
  324    H    CYS  41           H        CYS  41 -13.033   6.529  -2.059
  325    HA   CYS  41           HA       CYS  41 -14.357   4.158  -1.081
  326   1HB   CYS  41          2HB       CYS  41 -14.801   5.797  -3.184
  327   2HB   CYS  41          1HB       CYS  41 -13.951   4.490  -4.005
  328    H    ALA  42           H        ALA  42 -11.468   4.719  -3.073
  329    HA   ALA  42           HA       ALA  42 -10.990   1.904  -3.551
  330   1HB   ALA  42          2HB       ALA  42  -8.542   3.283  -3.760
  331   2HB   ALA  42          1HB       ALA  42  -9.637   2.853  -5.075
  332   3HB   ALA  42          3HB       ALA  42  -9.780   4.424  -4.285
  333    H    THR  43           H        THR  43 -10.194   4.117  -0.960
  334    HA   THR  43           HA       THR  43  -8.307   2.116   0.179
  335    HB   THR  43           HB       THR  43  -7.885   3.977   1.869
  336    HG1  THR  43           HG1      THR  43  -9.746   5.165   1.552
  337   1HG2  THR  43          3HG2      THR  43  -6.633   3.455  -0.378
  338   2HG2  THR  43          2HG2      THR  43  -7.369   4.964  -0.918
  339   3HG2  THR  43          1HG2      THR  43  -6.291   4.959   0.478
  340    H    CYS  44           H        CYS  44 -11.288   3.895   0.992
  341    HA   CYS  44           HA       CYS  44 -11.596   2.755   3.595
  342   1HB   CYS  44          2HB       CYS  44 -13.673   3.825   1.670
  343   2HB   CYS  44          1HB       CYS  44 -13.996   3.408   3.351
  344    H    LYS  45           H        LYS  45 -12.139   1.431   0.431
  345    HA   LYS  45           HA       LYS  45 -14.108  -0.519   1.033
  346   1HB   LYS  45          2HB       LYS  45 -13.178  -0.046  -1.256
  347   2HB   LYS  45          1HB       LYS  45 -11.709  -0.900  -0.786
  348   1HG   LYS  45          2HG       LYS  45 -13.055  -2.929  -0.319
  349   2HG   LYS  45          1HG       LYS  45 -14.508  -2.072  -0.834
  350   1HD   LYS  45          2HD       LYS  45 -13.502  -1.736  -3.072
  351   2HD   LYS  45          1HD       LYS  45 -12.069  -2.623  -2.554
  352   1HE   LYS  45          2HE       LYS  45 -13.102  -4.520  -3.197
  353   2HE   LYS  45          1HE       LYS  45 -14.254  -4.270  -1.885
  354   1HZ   LYS  45          3HZ       LYS  45 -14.517  -3.047  -4.576
  355   2HZ   LYS  45          2HZ       LYS  45 -15.284  -4.490  -4.112
  356   3HZ   LYS  45          1HZ       LYS  45 -15.665  -3.032  -3.327
  357    H    MET  46           H        MET  46 -10.558  -0.673   1.387
  358    HA   MET  46           HA       MET  46 -10.688  -3.322   2.621
  359   1HB   MET  46          2HB       MET  46  -8.440  -1.296   2.400
  360   2HB   MET  46          1HB       MET  46  -8.255  -2.914   3.075
  361   1HG   MET  46          2HG       MET  46  -9.066  -3.866   0.915
  362   2HG   MET  46          1HG       MET  46  -9.125  -2.234   0.250
  363   1HE   MET  46          3HE       MET  46  -7.309  -0.627   0.763
  364   2HE   MET  46          2HE       MET  46  -6.186  -1.180   2.003
  365   3HE   MET  46          1HE       MET  46  -5.617  -0.942   0.353
  366    H    ILE  47           H        ILE  47 -10.668   0.015   3.667
  367    HA   ILE  47           HA       ILE  47 -10.158  -0.648   6.476
  368    HB   ILE  47           HB       ILE  47 -11.139   1.920   5.192
  369   1HG1  ILE  47          1HG1      ILE  47  -8.952   1.417   4.344
  370   2HG1  ILE  47          2HG1      ILE  47  -8.729   2.607   5.626
  371   1HG2  ILE  47          1HG2      ILE  47 -10.524   1.100   7.982
  372   2HG2  ILE  47          3HG2      ILE  47  -9.913   2.675   7.474
  373   3HG2  ILE  47          2HG2      ILE  47 -11.641   2.330   7.390
  374   1HD1  ILE  47          1HD1      ILE  47  -8.605   0.292   7.060
  375   2HD1  ILE  47          3HD1      ILE  47  -7.915  -0.237   5.526
  376   3HD1  ILE  47          2HD1      ILE  47  -7.190   1.111   6.402
  377    H    LEU  48           H        LEU  48 -12.865  -0.564   4.363
  378    HA   LEU  48           HA       LEU  48 -14.841  -0.118   6.491
  379   1HB   LEU  48          2HB       LEU  48 -15.212   0.620   4.123
  380   2HB   LEU  48          1HB       LEU  48 -15.252  -1.074   3.640
  381    HG   LEU  48           HG       LEU  48 -17.259  -1.485   4.805
  382   1HD1  LEU  48          3HD1      LEU  48 -16.459   0.936   6.388
  383   2HD1  LEU  48          2HD1      LEU  48 -18.165   0.495   6.304
  384   3HD1  LEU  48          1HD1      LEU  48 -16.990  -0.645   6.961
  385   1HD2  LEU  48          2HD2      LEU  48 -17.505   0.029   2.809
  386   2HD2  LEU  48          1HD2      LEU  48 -18.803   0.195   3.990
  387   3HD2  LEU  48          3HD2      LEU  48 -17.520   1.402   3.916
  388    H    GLU  49           H        GLU  49 -13.181  -2.784   5.021
  389    HA   GLU  49           HA       GLU  49 -15.126  -4.798   5.875
  390   1HB   GLU  49          2HB       GLU  49 -12.277  -5.013   4.858
  391   2HB   GLU  49          1HB       GLU  49 -13.301  -6.402   5.222
  392   1HG   GLU  49          2HG       GLU  49 -14.966  -5.594   3.578
  393   2HG   GLU  49          1HG       GLU  49 -13.921  -4.223   3.202
  394    H    LYS  50           H        LYS  50 -12.244  -3.272   7.157
  395    HA   LYS  50           HA       LYS  50 -11.635  -5.172   9.205
  396   1HB   LYS  50          2HB       LYS  50 -10.122  -3.311   8.549
  397   2HB   LYS  50          1HB       LYS  50 -11.258  -2.160   9.253
  398   1HG   LYS  50          2HG       LYS  50 -11.009  -3.330  11.450
  399   2HG   LYS  50          1HG       LYS  50  -9.780  -4.365  10.722
  400   1HD   LYS  50          2HD       LYS  50  -8.496  -2.280  10.117
  401   2HD   LYS  50          1HD       LYS  50  -9.666  -1.353  11.055
  402   1HE   LYS  50          2HE       LYS  50  -8.483  -3.708  12.423
  403   2HE   LYS  50          1HE       LYS  50  -7.384  -2.363  12.116
  404   1HZ   LYS  50          1HZ       LYS  50  -9.572  -1.099  13.012
  405   2HZ   LYS  50          3HZ       LYS  50  -9.635  -2.531  13.918
  406   3HZ   LYS  50          2HZ       LYS  50  -8.255  -1.543  13.989
  407    H    GLU  51           H        GLU  51 -14.001  -2.574   8.992
  408    HA   GLU  51           HA       GLU  51 -14.703  -2.345  11.726
  409   1HB   GLU  51          2HB       GLU  51 -15.570  -0.879   9.891
  410   2HB   GLU  51          1HB       GLU  51 -16.588  -2.214   9.353
  411   1HG   GLU  51          2HG       GLU  51 -17.633  -2.270  11.625
  412   2HG   GLU  51          1HG       GLU  51 -16.686  -0.848  12.059
  413    H    ALA  52           H        ALA  52 -15.544  -4.784   9.327
  414    HA   ALA  52           HA       ALA  52 -17.649  -6.051  10.797
  415   1HB   ALA  52          1HB       ALA  52 -17.598  -6.866   8.644
  416   2HB   ALA  52          2HB       ALA  52 -16.637  -8.124   9.420
  417   3HB   ALA  52          3HB       ALA  52 -15.838  -6.812   8.554
  418    H    LYS  53           H        LYS  53 -14.160  -6.179  11.055
  419    HA   LYS  53           HA       LYS  53 -13.922  -8.606  12.540
  420   1HB   LYS  53          2HB       LYS  53 -11.999  -7.344  11.561
  421   2HB   LYS  53          1HB       LYS  53 -12.223  -6.106  12.796
  422   1HG   LYS  53          2HG       LYS  53 -11.890  -7.837  14.553
  423   2HG   LYS  53          1HG       LYS  53 -11.588  -9.031  13.290
  424   1HD   LYS  53          2HD       LYS  53  -9.703  -7.602  12.464
  425   2HD   LYS  53          1HD       LYS  53  -9.962  -6.530  13.841
  426   1HE   LYS  53          2HE       LYS  53  -8.843  -7.919  15.222
  427   2HE   LYS  53          1HE       LYS  53  -9.801  -9.303  14.695
  428   1HZ   LYS  53          3HZ       LYS  53  -7.860  -8.335  12.776
  429   2HZ   LYS  53          2HZ       LYS  53  -7.198  -9.010  14.188
  430   3HZ   LYS  53          1HZ       LYS  53  -8.251  -9.925  13.218
  431    H    SER  54           H        SER  54 -14.731  -5.305  13.508
  432    HA   SER  54           HA       SER  54 -14.493  -5.642  16.326
  433   1HB   SER  54          2HB       SER  54 -16.519  -3.931  14.852
  434   2HB   SER  54          1HB       SER  54 -15.959  -3.706  16.509
  435    HG   SER  54           HG       SER  54 -14.939  -2.436  14.715
  436    H    GLN  55           H        GLN  55 -16.940  -6.686  14.054
  437    HA   GLN  55           HA       GLN  55 -18.884  -7.964  14.364
  438   1HB   GLN  55          2HB       GLN  55 -17.410  -8.725  16.905
  439   2HB   GLN  55          1HB       GLN  55 -18.807  -9.578  16.248
  440   1HG   GLN  55          2HG       GLN  55 -17.564 -10.095  14.202
  441   2HG   GLN  55          1HG       GLN  55 -16.178  -9.174  14.787
  442   1HE2  GLN  55          1HE2      GLN  55 -15.909 -11.946  14.171
  443   2HE2  GLN  55          2HE2      GLN  55 -15.650 -12.802  15.614

  No H/Q in entry =         443
  Start of MODEL   24
    1    H1   LYS   1          1H        LYS   1 -15.309  -0.894 -43.675
    2    H2   LYS   1          3H        LYS   1 -15.463   0.647 -44.366
    3    H3   LYS   1          2H        LYS   1 -16.329  -0.663 -45.014
    4    HA   LYS   1           HA       LYS   1 -14.327  -1.714 -45.762
    5   1HB   LYS   1          2HB       LYS   1 -14.459   1.237 -46.454
    6   2HB   LYS   1          1HB       LYS   1 -13.558   0.030 -47.372
    7   1HG   LYS   1          2HG       LYS   1 -15.684  -1.234 -47.717
    8   2HG   LYS   1          1HG       LYS   1 -16.554   0.059 -46.892
    9   1HD   LYS   1          2HD       LYS   1 -15.670   1.670 -48.594
   10   2HD   LYS   1          1HD       LYS   1 -14.944   0.310 -49.451
   11   1HE   LYS   1          2HE       LYS   1 -17.709  -0.275 -48.867
   12   2HE   LYS   1          1HE       LYS   1 -17.593   1.276 -49.697
   13   1HZ   LYS   1          2HZ       LYS   1 -16.004  -0.976 -50.695
   14   2HZ   LYS   1          1HZ       LYS   1 -17.669  -0.949 -51.032
   15   3HZ   LYS   1          3HZ       LYS   1 -16.681   0.330 -51.544
   16    H    ASN   2           H        ASN   2 -11.915  -1.145 -46.259
   17    HA   ASN   2           HA       ASN   2 -10.472  -1.022 -43.836
   18   1HB   ASN   2          2HB       ASN   2  -9.568  -0.301 -46.641
   19   2HB   ASN   2          1HB       ASN   2  -8.482  -0.552 -45.274
   20   1HD2  ASN   2          1HD2      ASN   2  -8.327  -2.237 -47.574
   21   2HD2  ASN   2          2HD2      ASN   2  -8.844  -3.795 -47.142
   22    H    GLU   3           H        GLU   3 -11.474   1.569 -46.023
   23    HA   GLU   3           HA       GLU   3  -9.912   3.670 -44.905
   24   1HB   GLU   3          2HB       GLU   3 -11.254   3.834 -47.017
   25   2HB   GLU   3          1HB       GLU   3 -12.719   3.883 -46.036
   26   1HG   GLU   3          2HG       GLU   3 -11.802   5.895 -44.860
   27   2HG   GLU   3          1HG       GLU   3 -10.432   5.875 -45.971
   28    H    ASP   4           H        ASP   4 -12.883   2.135 -43.825
   29    HA   ASP   4           HA       ASP   4 -13.751   4.090 -41.955
   30   1HB   ASP   4          2HB       ASP   4 -14.999   1.995 -42.655
   31   2HB   ASP   4          1HB       ASP   4 -13.937   1.091 -41.575
   32    H    GLN   5           H        GLN   5 -11.159   1.734 -41.808
   33    HA   GLN   5           HA       GLN   5 -10.745   1.810 -38.967
   34   1HB   GLN   5          2HB       GLN   5  -8.829   1.239 -41.247
   35   2HB   GLN   5          1HB       GLN   5  -8.441   0.994 -39.545
   36   1HG   GLN   5          2HG       GLN   5 -10.314  -0.587 -39.332
   37   2HG   GLN   5          1HG       GLN   5 -10.742  -0.322 -41.022
   38   1HE2  GLN   5          1HE2      GLN   5 -10.088  -2.935 -40.209
   39   2HE2  GLN   5          2HE2      GLN   5  -8.581  -3.372 -40.855
   40    H    GLU   6           H        GLU   6  -9.628   3.851 -41.628
   41    HA   GLU   6           HA       GLU   6  -7.659   5.319 -40.162
   42   1HB   GLU   6          2HB       GLU   6  -7.962   5.365 -42.662
   43   2HB   GLU   6          1HB       GLU   6  -9.399   6.357 -42.417
   44   1HG   GLU   6          2HG       GLU   6  -8.005   8.029 -41.212
   45   2HG   GLU   6          1HG       GLU   6  -6.576   7.051 -41.546
   46    H    MET   7           H        MET   7 -11.138   5.911 -40.690
   47    HA   MET   7           HA       MET   7 -11.281   8.385 -39.286
   48   1HB   MET   7          2HB       MET   7 -13.378   6.208 -39.558
   49   2HB   MET   7          1HB       MET   7 -13.694   7.857 -39.022
   50   1HG   MET   7          2HG       MET   7 -12.637   7.002 -41.730
   51   2HG   MET   7          1HG       MET   7 -14.217   7.707 -41.385
   52   1HE   MET   7          3HE       MET   7 -14.349   9.497 -39.786
   53   2HE   MET   7          2HE       MET   7 -13.044  10.572 -39.292
   54   3HE   MET   7          1HE       MET   7 -14.077  11.018 -40.647
   55    H    CYS   8           H        CYS   8 -11.029   5.095 -38.165
   56    HA   CYS   8           HA       CYS   8 -11.998   5.555 -35.490
   57   1HB   CYS   8          2HB       CYS   8 -10.151   3.441 -36.625
   58   2HB   CYS   8          1HB       CYS   8 -10.776   3.420 -34.975
   59    H    HIS   9           H        HIS   9  -8.803   5.794 -37.002
   60    HA   HIS   9           HA       HIS   9  -7.140   6.021 -34.786
   61   1HB   HIS   9          2HB       HIS   9  -6.033   6.266 -36.836
   62   2HB   HIS   9          1HB       HIS   9  -7.203   7.437 -37.441
   63    HD1  HIS   9           HD1      HIS   9  -7.184   9.789 -35.907
   64    HD2  HIS   9           HD2      HIS   9  -3.707   7.492 -36.004
   65    HE1  HIS   9           HE1      HIS   9  -5.303  11.312 -35.178
   66    H    GLU  10           H        GLU  10  -9.360   8.464 -36.093
   67    HA   GLU  10           HA       GLU  10  -8.646  10.516 -34.193
   68   1HB   GLU  10          2HB       GLU  10  -9.798  10.949 -36.374
   69   2HB   GLU  10          1HB       GLU  10 -11.245  10.183 -35.720
   70   1HG   GLU  10          2HG       GLU  10 -11.231  11.852 -33.857
   71   2HG   GLU  10          1HG       GLU  10  -9.865  12.655 -34.630
   72    H    PHE  11           H        PHE  11 -11.151   7.978 -34.254
   73    HA   PHE  11           HA       PHE  11 -12.523   8.884 -31.903
   74   1HB   PHE  11          2HB       PHE  11 -12.893   6.817 -33.728
   75   2HB   PHE  11          1HB       PHE  11 -12.515   5.975 -32.225
   76    HD1  PHE  11           HD1      PHE  11 -13.612   7.490 -30.106
   77    HD2  PHE  11           HD2      PHE  11 -15.222   6.961 -34.056
   78    HE1  PHE  11           HE1      PHE  11 -15.884   7.991 -29.254
   79    HE2  PHE  11           HE2      PHE  11 -17.477   7.472 -33.207
   80    HZ   PHE  11           HZ       PHE  11 -17.818   7.986 -30.805
   81    H    GLN  12           H        GLN  12  -9.420   7.587 -32.299
   82    HA   GLN  12           HA       GLN  12  -9.171   6.073 -29.866
   83   1HB   GLN  12          2HB       GLN  12  -7.082   7.623 -31.432
   84   2HB   GLN  12          1HB       GLN  12  -6.728   6.467 -30.148
   85   1HG   GLN  12          2HG       GLN  12  -7.749   4.665 -31.424
   86   2HG   GLN  12          1HG       GLN  12  -8.281   5.798 -32.666
   87   1HE2  GLN  12          1HE2      GLN  12  -6.573   3.609 -33.335
   88   2HE2  GLN  12          2HE2      GLN  12  -5.050   4.221 -33.768
   89    H    ALA  13           H        ALA  13  -8.505   9.496 -30.651
   90    HA   ALA  13           HA       ALA  13  -7.518  10.370 -28.185
   91   1HB   ALA  13          2HB       ALA  13  -8.024  11.714 -30.365
   92   2HB   ALA  13          1HB       ALA  13  -9.613  11.975 -29.645
   93   3HB   ALA  13          3HB       ALA  13  -8.164  12.546 -28.816
   94    H    PHE  14           H        PHE  14 -10.947  10.089 -29.160
   95    HA   PHE  14           HA       PHE  14 -12.080  10.863 -26.672
   96   1HB   PHE  14          2HB       PHE  14 -13.081   8.927 -28.782
   97   2HB   PHE  14          1HB       PHE  14 -14.053   9.473 -27.418
   98    HD1  PHE  14           HD1      PHE  14 -14.529  11.945 -27.149
   99    HD2  PHE  14           HD2      PHE  14 -12.763  10.299 -30.702
  100    HE1  PHE  14           HE1      PHE  14 -15.130  14.000 -28.400
  101    HE2  PHE  14           HE2      PHE  14 -13.366  12.354 -31.953
  102    HZ   PHE  14           HZ       PHE  14 -14.550  14.204 -30.802
  103    H    MET  15           H        MET  15 -10.431   7.976 -27.639
  104    HA   MET  15           HA       MET  15 -11.504   6.310 -25.491
  105   1HB   MET  15          2HB       MET  15 -10.639   5.389 -27.667
  106   2HB   MET  15          1HB       MET  15  -9.018   5.875 -27.170
  107   1HG   MET  15          2HG       MET  15  -9.282   4.477 -25.113
  108   2HG   MET  15          1HG       MET  15 -10.834   3.916 -25.734
  109   1HE   MET  15          3HE       MET  15  -7.245   4.330 -26.026
  110   2HE   MET  15          2HE       MET  15  -6.606   2.994 -26.981
  111   3HE   MET  15          1HE       MET  15  -7.231   4.428 -27.792
  112    H    LYS  16           H        LYS  16 -10.760   6.292 -23.420
  113    HA   LYS  16           HA       LYS  16  -8.007   7.327 -22.910
  114   1HB   LYS  16          2HB       LYS  16 -10.482   8.028 -21.300
  115   2HB   LYS  16          1HB       LYS  16  -8.835   8.538 -20.932
  116   1HG   LYS  16          2HG       LYS  16  -8.747   9.648 -23.185
  117   2HG   LYS  16          1HG       LYS  16 -10.454   9.257 -23.393
  118   1HD   LYS  16          2HD       LYS  16 -10.976  10.524 -21.321
  119   2HD   LYS  16          1HD       LYS  16  -9.271  10.951 -21.169
  120   1HE   LYS  16          2HE       LYS  16 -10.159  11.557 -23.837
  121   2HE   LYS  16          1HE       LYS  16 -11.266  12.296 -22.679
  122   1HZ   LYS  16          1HZ       LYS  16  -8.393  12.513 -22.170
  123   2HZ   LYS  16          3HZ       LYS  16  -9.051  13.477 -23.400
  124   3HZ   LYS  16          2HZ       LYS  16  -9.643  13.606 -21.813
  125    H    ASN  17           H        ASN  17  -6.911   6.246 -21.261
  126    HA   ASN  17           HA       ASN  17  -6.409   4.424 -19.871
  127   1HB   ASN  17          2HB       ASN  17  -8.268   5.791 -18.597
  128   2HB   ASN  17          1HB       ASN  17  -9.272   4.391 -18.973
  129   1HD2  ASN  17          1HD2      ASN  17  -9.141   4.239 -16.447
  130   2HD2  ASN  17          2HD2      ASN  17  -7.846   3.346 -15.809
  131    H    GLY  18           H        GLY  18  -7.702   3.980 -22.602
  132   1HA   GLY  18          1HA       GLY  18  -8.125   1.086 -22.224
  133   2HA   GLY  18          2HA       GLY  18  -7.960   1.914 -23.773
  134    H    LYS  19           H        LYS  19 -10.075   3.725 -22.004
  135    HA   LYS  19           HA       LYS  19 -12.463   2.115 -22.752
  136   1HB   LYS  19          2HB       LYS  19 -12.118   3.176 -20.417
  137   2HB   LYS  19          1HB       LYS  19 -12.476   4.709 -21.211
  138   1HG   LYS  19          2HG       LYS  19 -14.451   2.919 -22.118
  139   2HG   LYS  19          1HG       LYS  19 -14.298   2.608 -20.389
  140   1HD   LYS  19          2HD       LYS  19 -14.265   5.290 -20.317
  141   2HD   LYS  19          1HD       LYS  19 -15.192   5.077 -21.803
  142   1HE   LYS  19          2HE       LYS  19 -16.967   4.079 -20.715
  143   2HE   LYS  19          1HE       LYS  19 -15.945   3.401 -19.448
  144   1HZ   LYS  19          1HZ       LYS  19 -15.774   6.183 -19.299
  145   2HZ   LYS  19          3HZ       LYS  19 -17.419   5.785 -19.405
  146   3HZ   LYS  19          2HZ       LYS  19 -16.462   5.113 -18.173
  147    H    LEU  20           H        LEU  20 -13.690   2.729 -24.495
  148    HA   LEU  20           HA       LEU  20 -12.838   5.108 -26.006
  149   1HB   LEU  20          2HB       LEU  20 -13.288   3.186 -27.363
  150   2HB   LEU  20          1HB       LEU  20 -14.832   2.897 -26.562
  151    HG   LEU  20           HG       LEU  20 -15.554   5.197 -27.439
  152   1HD1  LEU  20          1HD1      LEU  20 -12.835   5.225 -28.242
  153   2HD1  LEU  20          3HD1      LEU  20 -13.800   5.131 -29.717
  154   3HD1  LEU  20          2HD1      LEU  20 -14.066   6.445 -28.569
  155   1HD2  LEU  20          3HD2      LEU  20 -15.221   2.671 -28.905
  156   2HD2  LEU  20          2HD2      LEU  20 -16.650   3.689 -28.720
  157   3HD2  LEU  20          1HD2      LEU  20 -15.441   4.080 -29.944
  158    H    PHE  21           H        PHE  21 -13.648   7.018 -25.255
  159    HA   PHE  21           HA       PHE  21 -16.304   7.130 -24.004
  160   1HB   PHE  21          2HB       PHE  21 -14.234   9.250 -24.650
  161   2HB   PHE  21          1HB       PHE  21 -15.786   9.610 -23.894
  162    HD1  PHE  21           HD1      PHE  21 -12.779   7.411 -23.515
  163    HD2  PHE  21           HD2      PHE  21 -16.020   9.445 -21.562
  164    HE1  PHE  21           HE1      PHE  21 -11.851   6.770 -21.306
  165    HE2  PHE  21           HE2      PHE  21 -15.091   8.805 -19.354
  166    HZ   PHE  21           HZ       PHE  21 -13.006   7.469 -19.226
  167    H    CYS  22           H        CYS  22 -18.148   7.519 -25.146
  168    HA   CYS  22           HA       CYS  22 -17.843   8.431 -27.969
  169   1HB   CYS  22          2HB       CYS  22 -19.015   6.191 -27.226
  170   2HB   CYS  22          1HB       CYS  22 -20.377   7.255 -26.876
  171    HA   PRO  23           HA       PRO  23 -19.945  11.934 -25.577
  172   1HB   PRO  23          2HB       PRO  23 -18.238  13.881 -26.347
  173   2HB   PRO  23          1HB       PRO  23 -17.977  12.897 -24.905
  174   1HG   PRO  23          2HG       PRO  23 -16.766  12.629 -27.630
  175   2HG   PRO  23          1HG       PRO  23 -15.988  12.495 -26.050
  176   1HD   PRO  23          2HD       PRO  23 -16.684  10.320 -27.500
  177   2HD   PRO  23          1HD       PRO  23 -16.706  10.327 -25.736
  178    H    GLN  24           H        GLN  24 -19.928  14.381 -26.933
  179    HA   GLN  24           HA       GLN  24 -21.278  13.604 -29.472
  180   1HB   GLN  24          2HB       GLN  24 -22.575  14.946 -27.818
  181   2HB   GLN  24          1HB       GLN  24 -21.380  16.236 -27.966
  182   1HG   GLN  24          2HG       GLN  24 -21.866  16.406 -30.383
  183   2HG   GLN  24          1HG       GLN  24 -23.063  15.119 -30.232
  184   1HE2  GLN  24          1HE2      GLN  24 -24.099  17.458 -31.172
  185   2HE2  GLN  24          2HE2      GLN  24 -24.963  18.287 -29.968
  186    H    ASP  25           H        ASP  25 -20.102  13.876 -31.301
  187    HA   ASP  25           HA       ASP  25 -17.671  15.509 -31.282
  188   1HB   ASP  25          2HB       ASP  25 -17.812  13.357 -32.529
  189   2HB   ASP  25          1HB       ASP  25 -19.025  14.076 -33.587
  190    H    LYS  26           H        LYS  26 -17.501  17.581 -32.043
  191    HA   LYS  26           HA       LYS  26 -19.899  19.066 -32.679
  192   1HB   LYS  26          2HB       LYS  26 -16.968  19.803 -32.937
  193   2HB   LYS  26          1HB       LYS  26 -18.304  20.936 -33.140
  194   1HG   LYS  26          2HG       LYS  26 -19.066  20.419 -30.833
  195   2HG   LYS  26          1HG       LYS  26 -17.686  19.339 -30.635
  196   1HD   LYS  26          2HD       LYS  26 -16.165  21.267 -31.097
  197   2HD   LYS  26          1HD       LYS  26 -17.575  22.324 -31.163
  198   1HE   LYS  26          2HE       LYS  26 -18.153  21.667 -28.839
  199   2HE   LYS  26          1HE       LYS  26 -16.707  20.660 -28.779
  200   1HZ   LYS  26          1HZ       LYS  26 -16.180  23.339 -29.657
  201   2HZ   LYS  26          3HZ       LYS  26 -16.838  23.282 -28.095
  202   3HZ   LYS  26          2HZ       LYS  26 -15.415  22.423 -28.447
  203    H    LYS  27           H        LYS  27 -17.328  17.590 -34.582
  204    HA   LYS  27           HA       LYS  27 -18.599  18.626 -37.072
  205   1HB   LYS  27          2HB       LYS  27 -15.868  17.664 -36.348
  206   2HB   LYS  27          1HB       LYS  27 -16.423  17.358 -37.994
  207   1HG   LYS  27          2HG       LYS  27 -16.983  20.082 -37.007
  208   2HG   LYS  27          1HG       LYS  27 -15.267  19.703 -37.161
  209   1HD   LYS  27          2HD       LYS  27 -15.410  19.953 -39.393
  210   2HD   LYS  27          1HD       LYS  27 -16.614  18.666 -39.462
  211   1HE   LYS  27          2HE       LYS  27 -17.911  20.388 -40.273
  212   2HE   LYS  27          1HE       LYS  27 -18.186  20.645 -38.550
  213   1HZ   LYS  27          2HZ       LYS  27 -15.863  21.910 -39.821
  214   2HZ   LYS  27          1HZ       LYS  27 -17.399  22.591 -40.068
  215   3HZ   LYS  27          3HZ       LYS  27 -16.787  22.433 -38.495
  216    HA   PRO  28           HA       PRO  28 -20.413  14.419 -36.928
  217   1HB   PRO  28          2HB       PRO  28 -22.443  15.009 -38.611
  218   2HB   PRO  28          1HB       PRO  28 -22.486  15.379 -36.885
  219   1HG   PRO  28          2HG       PRO  28 -21.843  17.175 -39.195
  220   2HG   PRO  28          1HG       PRO  28 -22.847  17.502 -37.779
  221   1HD   PRO  28          1HD       PRO  28 -20.304  18.394 -37.970
  222   2HD   PRO  28          2HD       PRO  28 -21.023  17.935 -36.426
  223    H    ILE  29           H        ILE  29 -19.894  12.771 -38.297
  224    HA   ILE  29           HA       ILE  29 -19.096  13.494 -41.089
  225    HB   ILE  29           HB       ILE  29 -17.268  12.608 -39.604
  226   1HG1  ILE  29          2HG1      ILE  29 -18.182  11.187 -42.092
  227   2HG1  ILE  29          1HG1      ILE  29 -16.822  12.284 -41.880
  228   1HG2  ILE  29          1HG2      ILE  29 -19.227  10.894 -38.709
  229   2HG2  ILE  29          3HG2      ILE  29 -18.292   9.848 -39.776
  230   3HG2  ILE  29          2HG2      ILE  29 -17.502  10.673 -38.434
  231   1HD1  ILE  29          1HD1      ILE  29 -15.940  10.400 -40.265
  232   2HD1  ILE  29          3HD1      ILE  29 -17.049   9.378 -41.179
  233   3HD1  ILE  29          2HD1      ILE  29 -15.743  10.224 -42.010
  234    H    GLN  30           H        GLN  30 -19.694  11.943 -42.758
  235    HA   GLN  30           HA       GLN  30 -22.217  10.533 -42.093
  236   1HB   GLN  30          2HB       GLN  30 -20.902  11.211 -44.740
  237   2HB   GLN  30          1HB       GLN  30 -22.417  10.321 -44.589
  238   1HG   GLN  30          2HG       GLN  30 -23.365  12.247 -43.303
  239   2HG   GLN  30          1HG       GLN  30 -21.874  13.139 -43.605
  240   1HE2  GLN  30          1HE2      GLN  30 -24.446  14.026 -44.590
  241   2HE2  GLN  30          2HE2      GLN  30 -24.407  13.950 -46.285
  242    H    SER  31           H        SER  31 -22.190   8.370 -41.762
  243    HA   SER  31           HA       SER  31 -19.744   6.861 -42.498
  244   1HB   SER  31          2HB       SER  31 -20.216   5.482 -40.742
  245   2HB   SER  31          1HB       SER  31 -21.191   6.848 -40.203
  246    HG   SER  31           HG       SER  31 -22.951   5.879 -41.367
  247    H    LEU  32           H        LEU  32 -20.202   4.525 -43.250
  248    HA   LEU  32           HA       LEU  32 -22.310   4.637 -45.365
  249   1HB   LEU  32          2HB       LEU  32 -20.850   2.739 -46.364
  250   2HB   LEU  32          1HB       LEU  32 -20.222   4.385 -46.445
  251    HG   LEU  32           HG       LEU  32 -19.558   2.915 -43.965
  252   1HD1  LEU  32          1HD1      LEU  32 -18.677   2.000 -46.696
  253   2HD1  LEU  32          3HD1      LEU  32 -17.606   1.820 -45.306
  254   3HD1  LEU  32          2HD1      LEU  32 -19.182   1.028 -45.314
  255   1HD2  LEU  32          3HD2      LEU  32 -18.396   4.922 -45.819
  256   2HD2  LEU  32          2HD2      LEU  32 -18.356   4.862 -44.057
  257   3HD2  LEU  32          1HD2      LEU  32 -17.241   3.872 -44.998
  258    H    ASP  33           H        ASP  33 -21.644   3.263 -42.389
  259    HA   ASP  33           HA       ASP  33 -22.675   0.584 -42.888
  260   1HB   ASP  33          2HB       ASP  33 -22.184   2.174 -40.362
  261   2HB   ASP  33          1HB       ASP  33 -22.823   0.531 -40.349
  262    H    GLY  34           H        GLY  34 -24.167   3.519 -42.995
  263   1HA   GLY  34          1HA       GLY  34 -26.792   2.284 -42.343
  264   2HA   GLY  34          2HA       GLY  34 -26.557   3.712 -43.351
  265    H    ILE  35           H        ILE  35 -24.497   4.210 -40.873
  266    HA   ILE  35           HA       ILE  35 -26.590   5.471 -39.146
  267    HB   ILE  35           HB       ILE  35 -23.739   4.877 -38.329
  268   1HG1  ILE  35          2HG1      ILE  35 -26.114   3.135 -37.671
  269   2HG1  ILE  35          1HG1      ILE  35 -25.111   2.822 -39.087
  270   1HG2  ILE  35          1HG2      ILE  35 -26.321   5.482 -36.866
  271   2HG2  ILE  35          3HG2      ILE  35 -24.860   4.913 -36.056
  272   3HG2  ILE  35          2HG2      ILE  35 -24.855   6.461 -36.902
  273   1HD1  ILE  35          1HD1      ILE  35 -23.642   3.291 -36.551
  274   2HD1  ILE  35          3HD1      ILE  35 -24.578   1.798 -36.627
  275   3HD1  ILE  35          2HD1      ILE  35 -23.331   2.119 -37.832
  276    H    MET  36           H        MET  36 -25.831   7.556 -38.106
  277    HA   MET  36           HA       MET  36 -24.276   9.135 -40.109
  278   1HB   MET  36          2HB       MET  36 -26.319   9.976 -38.032
  279   2HB   MET  36          1HB       MET  36 -25.390  11.111 -39.011
  280   1HG   MET  36          2HG       MET  36 -26.287   9.980 -41.064
  281   2HG   MET  36          1HG       MET  36 -27.315   8.997 -40.022
  282   1HE   MET  36          2HE       MET  36 -26.047  12.625 -39.956
  283   2HE   MET  36          1HE       MET  36 -26.634  12.466 -41.610
  284   3HE   MET  36          3HE       MET  36 -27.438  13.568 -40.484
  285    H    PHE  37           H        PHE  37 -22.163   9.081 -39.421
  286    HA   PHE  37           HA       PHE  37 -20.310   9.564 -38.084
  287   1HB   PHE  37          2HB       PHE  37 -21.279  11.722 -37.632
  288   2HB   PHE  37          1HB       PHE  37 -22.411  11.028 -36.472
  289    HD1  PHE  37           HD1      PHE  37 -18.836  11.786 -37.114
  290    HD2  PHE  37           HD2      PHE  37 -21.743  10.494 -34.227
  291    HE1  PHE  37           HE1      PHE  37 -17.162  12.058 -35.307
  292    HE2  PHE  37           HE2      PHE  37 -20.068  10.768 -32.419
  293    HZ   PHE  37           HZ       PHE  37 -17.777  11.547 -32.960
  294    H    ILE  38           H        ILE  38 -23.048   8.863 -35.890
  295    HA   ILE  38           HA       ILE  38 -21.732   7.647 -33.801
  296    HB   ILE  38           HB       ILE  38 -24.269   6.686 -35.155
  297   1HG1  ILE  38          2HG1      ILE  38 -23.787   8.453 -32.737
  298   2HG1  ILE  38          1HG1      ILE  38 -24.339   9.007 -34.317
  299   1HG2  ILE  38          2HG2      ILE  38 -22.814   5.803 -32.699
  300   2HG2  ILE  38          1HG2      ILE  38 -24.574   5.880 -32.630
  301   3HG2  ILE  38          3HG2      ILE  38 -23.782   4.857 -33.829
  302   1HD1  ILE  38          3HD1      ILE  38 -26.098   6.944 -33.714
  303   2HD1  ILE  38          2HD1      ILE  38 -25.855   7.737 -32.158
  304   3HD1  ILE  38          1HD1      ILE  38 -26.437   8.666 -33.539
  305    H    ASN  39           H        ASN  39 -22.045   6.416 -37.070
  306    HA   ASN  39           HA       ASN  39 -21.475   3.687 -36.675
  307   1HB   ASN  39          2HB       ASN  39 -21.959   4.776 -38.895
  308   2HB   ASN  39          1HB       ASN  39 -20.309   5.399 -38.885
  309   1HD2  ASN  39          1HD2      ASN  39 -19.089   4.087 -40.280
  310   2HD2  ASN  39          2HD2      ASN  39 -19.151   2.392 -40.314
  311    H    LYS  40           H        LYS  40 -19.082   6.310 -37.244
  312    HA   LYS  40           HA       LYS  40 -16.737   4.875 -36.966
  313   1HB   LYS  40          2HB       LYS  40 -17.336   7.572 -35.719
  314   2HB   LYS  40          1HB       LYS  40 -15.721   6.911 -35.973
  315   1HG   LYS  40          2HG       LYS  40 -16.135   6.821 -38.402
  316   2HG   LYS  40          1HG       LYS  40 -17.754   7.479 -38.150
  317   1HD   LYS  40          2HD       LYS  40 -16.135   9.249 -38.794
  318   2HD   LYS  40          1HD       LYS  40 -16.791   9.518 -37.179
  319   1HE   LYS  40          2HE       LYS  40 -14.403   7.834 -37.141
  320   2HE   LYS  40          1HE       LYS  40 -14.092   9.426 -37.835
  321   1HZ   LYS  40          2HZ       LYS  40 -15.662   9.971 -35.695
  322   2HZ   LYS  40          1HZ       LYS  40 -14.692   8.698 -35.124
  323   3HZ   LYS  40          3HZ       LYS  40 -13.969  10.106 -35.732
  324    H    CYS  41           H        CYS  41 -18.662   6.225 -34.314
  325    HA   CYS  41           HA       CYS  41 -17.076   5.104 -32.197
  326   1HB   CYS  41          2HB       CYS  41 -18.852   6.982 -32.104
  327   2HB   CYS  41          1HB       CYS  41 -20.025   5.685 -32.047
  328    H    ALA  42           H        ALA  42 -20.137   4.076 -33.705
  329    HA   ALA  42           HA       ALA  42 -20.387   1.662 -32.164
  330   1HB   ALA  42          3HB       ALA  42 -21.635   1.439 -34.758
  331   2HB   ALA  42          2HB       ALA  42 -22.393   1.608 -33.174
  332   3HB   ALA  42          1HB       ALA  42 -21.920   3.043 -34.084
  333    H    THR  43           H        THR  43 -18.479   2.445 -34.977
  334    HA   THR  43           HA       THR  43 -18.043  -0.464 -35.485
  335    HB   THR  43           HB       THR  43 -16.807   0.451 -37.540
  336    HG1  THR  43           HG1      THR  43 -16.579   2.571 -36.810
  337   1HG2  THR  43          1HG2      THR  43 -19.771   0.840 -37.093
  338   2HG2  THR  43          3HG2      THR  43 -19.022   1.037 -38.678
  339   3HG2  THR  43          2HG2      THR  43 -18.960  -0.525 -37.861
  340    H    CYS  44           H        CYS  44 -16.331   2.552 -34.756
  341    HA   CYS  44           HA       CYS  44 -13.705   1.383 -34.770
  342   1HB   CYS  44          2HB       CYS  44 -14.764   3.869 -33.404
  343   2HB   CYS  44          1HB       CYS  44 -13.055   3.444 -33.523
  344    H    LYS  45           H        LYS  45 -16.290   1.249 -32.489
  345    HA   LYS  45           HA       LYS  45 -14.757   0.921 -30.092
  346   1HB   LYS  45          2HB       LYS  45 -17.259   1.249 -30.195
  347   2HB   LYS  45          1HB       LYS  45 -17.399  -0.417 -30.758
  348   1HG   LYS  45          2HG       LYS  45 -16.278  -1.202 -28.698
  349   2HG   LYS  45          1HG       LYS  45 -16.154   0.465 -28.134
  350   1HD   LYS  45          2HD       LYS  45 -18.620   0.660 -28.188
  351   2HD   LYS  45          1HD       LYS  45 -18.736  -1.014 -28.733
  352   1HE   LYS  45          2HE       LYS  45 -18.545  -1.767 -26.619
  353   2HE   LYS  45          1HE       LYS  45 -17.057  -0.851 -26.385
  354   1HZ   LYS  45          2HZ       LYS  45 -18.880   1.093 -26.305
  355   2HZ   LYS  45          1HZ       LYS  45 -19.776  -0.187 -25.639
  356   3HZ   LYS  45          3HZ       LYS  45 -18.309   0.280 -24.927
  357    H    MET  46           H        MET  46 -15.851  -1.382 -32.567
  358    HA   MET  46           HA       MET  46 -14.531  -3.621 -31.190
  359   1HB   MET  46          2HB       MET  46 -15.867  -3.420 -33.909
  360   2HB   MET  46          1HB       MET  46 -15.236  -4.913 -33.213
  361   1HG   MET  46          2HG       MET  46 -16.748  -4.571 -31.244
  362   2HG   MET  46          1HG       MET  46 -17.442  -3.174 -32.067
  363   1HE   MET  46          3HE       MET  46 -19.703  -3.864 -32.024
  364   2HE   MET  46          2HE       MET  46 -20.417  -5.349 -32.647
  365   3HE   MET  46          1HE       MET  46 -19.449  -5.395 -31.175
  366    H    ILE  47           H        ILE  47 -13.858  -1.312 -33.715
  367    HA   ILE  47           HA       ILE  47 -11.503  -2.773 -34.696
  368    HB   ILE  47           HB       ILE  47 -12.558   0.014 -35.264
  369   1HG1  ILE  47          1HG1      ILE  47 -14.037  -1.619 -36.188
  370   2HG1  ILE  47          2HG1      ILE  47 -13.012  -1.090 -37.522
  371   1HG2  ILE  47          1HG2      ILE  47  -9.967  -1.091 -35.725
  372   2HG2  ILE  47          3HG2      ILE  47 -10.788  -0.968 -37.282
  373   3HG2  ILE  47          2HG2      ILE  47 -10.600   0.464 -36.268
  374   1HD1  ILE  47          1HD1      ILE  47 -11.511  -3.055 -37.053
  375   2HD1  ILE  47          3HD1      ILE  47 -12.697  -3.615 -35.874
  376   3HD1  ILE  47          2HD1      ILE  47 -13.131  -3.510 -37.580
  377    H    LEU  48           H        LEU  48 -12.275  -0.404 -32.281
  378    HA   LEU  48           HA       LEU  48  -9.496   0.526 -32.015
  379   1HB   LEU  48          2HB       LEU  48 -11.463   2.024 -31.582
  380   2HB   LEU  48          1HB       LEU  48 -11.875   1.015 -30.197
  381    HG   LEU  48           HG       LEU  48  -9.909   1.624 -29.025
  382   1HD1  LEU  48          1HD1      LEU  48  -8.931   2.483 -31.742
  383   2HD1  LEU  48          3HD1      LEU  48  -8.191   3.137 -30.281
  384   3HD1  LEU  48          2HD1      LEU  48  -8.162   1.400 -30.581
  385   1HD2  LEU  48          1HD2      LEU  48 -10.836   4.061 -30.578
  386   2HD2  LEU  48          3HD2      LEU  48 -11.564   3.439 -29.096
  387   3HD2  LEU  48          2HD2      LEU  48  -9.931   4.105 -29.064
  388    H    GLU  49           H        GLU  49 -11.461  -2.029 -30.831
  389    HA   GLU  49           HA       GLU  49  -9.977  -2.427 -28.342
  390   1HB   GLU  49          2HB       GLU  49 -12.051  -4.014 -29.855
  391   2HB   GLU  49          1HB       GLU  49 -11.204  -4.711 -28.474
  392   1HG   GLU  49          2HG       GLU  49 -11.928  -2.783 -27.084
  393   2HG   GLU  49          1HG       GLU  49 -12.818  -2.141 -28.464
  394    H    LYS  50           H        LYS  50  -9.786  -3.529 -31.666
  395    HA   LYS  50           HA       LYS  50  -8.080  -5.788 -31.256
  396   1HB   LYS  50          2HB       LYS  50  -8.246  -3.892 -33.620
  397   2HB   LYS  50          1HB       LYS  50  -7.442  -5.462 -33.634
  398   1HG   LYS  50          2HG       LYS  50  -9.582  -6.562 -33.075
  399   2HG   LYS  50          1HG       LYS  50 -10.385  -4.992 -33.062
  400   1HD   LYS  50          2HD       LYS  50  -9.752  -4.665 -35.438
  401   2HD   LYS  50          1HD       LYS  50  -8.993  -6.257 -35.444
  402   1HE   LYS  50          2HE       LYS  50 -11.011  -7.369 -35.420
  403   2HE   LYS  50          1HE       LYS  50 -11.818  -6.100 -34.499
  404   1HZ   LYS  50          1HZ       LYS  50 -11.125  -4.908 -36.859
  405   2HZ   LYS  50          3HZ       LYS  50 -11.646  -6.453 -37.325
  406   3HZ   LYS  50          2HZ       LYS  50 -12.676  -5.447 -36.422
  407    H    GLU  51           H        GLU  51  -7.433  -2.326 -31.541
  408    HA   GLU  51           HA       GLU  51  -4.628  -2.392 -31.864
  409   1HB   GLU  51          2HB       GLU  51  -6.307  -0.450 -30.246
  410   2HB   GLU  51          1HB       GLU  51  -4.636  -0.173 -30.737
  411   1HG   GLU  51          2HG       GLU  51  -5.320  -0.398 -33.115
  412   2HG   GLU  51          1HG       GLU  51  -6.993  -0.610 -32.598
  413    H    ALA  52           H        ALA  52  -6.601  -2.778 -28.945
  414    HA   ALA  52           HA       ALA  52  -4.443  -2.731 -27.063
  415   1HB   ALA  52          1HB       ALA  52  -6.110  -4.209 -25.706
  416   2HB   ALA  52          3HB       ALA  52  -6.581  -2.555 -26.098
  417   3HB   ALA  52          2HB       ALA  52  -7.219  -3.901 -27.043
  418    H    LYS  53           H        LYS  53  -5.647  -5.191 -29.238
  419    HA   LYS  53           HA       LYS  53  -4.473  -7.477 -27.979
  420   1HB   LYS  53          2HB       LYS  53  -6.145  -7.599 -29.824
  421   2HB   LYS  53          1HB       LYS  53  -4.923  -6.990 -30.940
  422   1HG   LYS  53          2HG       LYS  53  -3.476  -8.939 -30.354
  423   2HG   LYS  53          1HG       LYS  53  -4.776  -9.564 -29.340
  424   1HD   LYS  53          2HD       LYS  53  -6.271  -9.561 -31.353
  425   2HD   LYS  53          1HD       LYS  53  -4.884  -9.087 -32.334
  426   1HE   LYS  53          2HE       LYS  53  -3.733 -11.174 -31.251
  427   2HE   LYS  53          1HE       LYS  53  -5.383 -11.682 -30.893
  428   1HZ   LYS  53          3HZ       LYS  53  -4.535 -10.841 -33.601
  429   2HZ   LYS  53          2HZ       LYS  53  -4.425 -12.453 -33.074
  430   3HZ   LYS  53          1HZ       LYS  53  -5.938 -11.685 -33.159
  431    H    SER  54           H        SER  54  -3.173  -4.997 -30.118
  432    HA   SER  54           HA       SER  54  -0.735  -6.304 -30.820
  433   1HB   SER  54          2HB       SER  54  -1.163  -3.334 -30.381
  434   2HB   SER  54          1HB       SER  54   0.098  -4.082 -31.360
  435    HG   SER  54           HG       SER  54  -2.410  -3.460 -32.040
  436    H    GLN  55           H        GLN  55  -1.772  -4.690 -27.893
  437    HA   GLN  55           HA       GLN  55   0.978  -4.684 -26.803
  438   1HB   GLN  55          2HB       GLN  55  -0.579  -2.777 -26.357
  439   2HB   GLN  55          1HB       GLN  55  -1.627  -3.884 -25.471
  440   1HG   GLN  55          2HG       GLN  55   0.217  -4.391 -23.914
  441   2HG   GLN  55          1HG       GLN  55   1.274  -3.296 -24.804
  442   1HE2  GLN  55          1HE2      GLN  55   0.923  -2.656 -22.154
  443   2HE2  GLN  55          2HE2      GLN  55  -0.119  -1.327 -21.980

  No H/Q in entry =         443
  Start of MODEL   25
    1    H1   LYS   1          2H        LYS   1  -7.491  -8.451  20.871
    2    H2   LYS   1          1H        LYS   1  -7.628  -9.521  19.558
    3    H3   LYS   1          3H        LYS   1  -7.758 -10.107  21.145
    4    HA   LYS   1           HA       LYS   1  -5.561 -10.235  21.438
    5   1HB   LYS   1          2HB       LYS   1  -5.545  -9.761  18.442
    6   2HB   LYS   1          1HB       LYS   1  -4.332 -10.639  19.373
    7   1HG   LYS   1          2HG       LYS   1  -7.254 -11.429  19.162
    8   2HG   LYS   1          1HG       LYS   1  -5.945 -12.165  18.236
    9   1HD   LYS   1          2HD       LYS   1  -4.828 -12.737  20.424
   10   2HD   LYS   1          1HD       LYS   1  -6.283 -12.177  21.248
   11   1HE   LYS   1          2HE       LYS   1  -6.596 -14.162  19.031
   12   2HE   LYS   1          1HE       LYS   1  -5.981 -14.738  20.580
   13   1HZ   LYS   1          3HZ       LYS   1  -8.179 -12.991  20.962
   14   2HZ   LYS   1          2HZ       LYS   1  -8.611 -14.254  19.911
   15   3HZ   LYS   1          1HZ       LYS   1  -7.996 -14.603  21.456
   16    H    ASN   2           H        ASN   2  -5.986  -7.640  18.997
   17    HA   ASN   2           HA       ASN   2  -3.821  -6.132  20.388
   18   1HB   ASN   2          2HB       ASN   2  -5.033  -5.808  17.626
   19   2HB   ASN   2          1HB       ASN   2  -3.797  -4.745  18.300
   20   1HD2  ASN   2          1HD2      ASN   2  -3.259  -6.274  15.952
   21   2HD2  ASN   2          2HD2      ASN   2  -2.106  -7.462  16.328
   22    H    GLU   3           H        GLU   3  -4.303  -4.228  21.424
   23    HA   GLU   3           HA       GLU   3  -6.982  -3.568  22.101
   24   1HB   GLU   3          2HB       GLU   3  -4.961  -2.845  23.386
   25   2HB   GLU   3          1HB       GLU   3  -4.587  -1.705  22.094
   26   1HG   GLU   3          2HG       GLU   3  -6.823  -0.647  22.435
   27   2HG   GLU   3          1HG       GLU   3  -7.099  -1.735  23.796
   28    H    ASP   4           H        ASP   4  -4.951  -2.551  19.421
   29    HA   ASP   4           HA       ASP   4  -6.403  -0.270  18.568
   30   1HB   ASP   4          2HB       ASP   4  -4.204  -1.112  17.627
   31   2HB   ASP   4          1HB       ASP   4  -5.131  -2.321  16.737
   32    H    GLN   5           H        GLN   5  -7.012  -3.713  18.082
   33    HA   GLN   5           HA       GLN   5  -9.068  -3.482  16.123
   34   1HB   GLN   5          2HB       GLN   5  -8.707  -5.536  18.327
   35   2HB   GLN   5          1HB       GLN   5  -9.814  -5.709  16.965
   36   1HG   GLN   5          2HG       GLN   5  -7.936  -5.575  15.392
   37   2HG   GLN   5          1HG       GLN   5  -6.813  -5.326  16.729
   38   1HE2  GLN   5          1HE2      GLN   5  -6.524  -7.566  14.971
   39   2HE2  GLN   5          2HE2      GLN   5  -6.861  -8.982  15.843
   40    H    GLU   6           H        GLU   6  -9.091  -3.042  19.612
   41    HA   GLU   6           HA       GLU   6 -11.945  -3.093  19.957
   42   1HB   GLU   6          2HB       GLU   6  -9.783  -1.678  21.547
   43   2HB   GLU   6          1HB       GLU   6 -11.461  -1.838  22.065
   44   1HG   GLU   6          2HG       GLU   6 -11.232  -4.316  21.928
   45   2HG   GLU   6          1HG       GLU   6  -9.533  -4.113  21.504
   46    H    MET   7           H        MET   7  -9.645  -0.540  19.105
   47    HA   MET   7           HA       MET   7 -11.468   1.658  19.307
   48   1HB   MET   7          2HB       MET   7  -8.920   1.176  17.778
   49   2HB   MET   7          1HB       MET   7  -9.852   2.648  17.509
   50   1HG   MET   7          2HG       MET   7  -9.808   3.001  20.024
   51   2HG   MET   7          1HG       MET   7  -8.638   1.684  20.109
   52   1HE   MET   7          2HE       MET   7  -7.115   1.468  18.165
   53   2HE   MET   7          1HE       MET   7  -6.839   2.746  16.985
   54   3HE   MET   7          3HE       MET   7  -5.708   2.516  18.324
   55    H    CYS   8           H        CYS   8 -10.885  -0.739  16.805
   56    HA   CYS   8           HA       CYS   8 -12.283   0.619  14.700
   57   1HB   CYS   8          2HB       CYS   8 -10.768  -1.296  14.288
   58   2HB   CYS   8          1HB       CYS   8 -11.900  -2.360  15.124
   59    H    HIS   9           H        HIS   9 -13.337  -1.817  17.083
   60    HA   HIS   9           HA       HIS   9 -15.945  -2.275  16.269
   61   1HB   HIS   9          2HB       HIS   9 -15.736  -3.419  18.216
   62   2HB   HIS   9          1HB       HIS   9 -14.491  -2.326  18.806
   63    HD1  HIS   9           HD1      HIS   9 -18.159  -1.568  18.077
   64    HD2  HIS   9           HD2      HIS   9 -15.481  -1.554  21.272
   65    HE1  HIS   9           HE1      HIS   9 -19.397  -0.568  20.046
   66    H    GLU  10           H        GLU  10 -14.833   0.506  18.220
   67    HA   GLU  10           HA       GLU  10 -17.319   1.829  18.435
   68   1HB   GLU  10          2HB       GLU  10 -14.505   2.935  18.267
   69   2HB   GLU  10          1HB       GLU  10 -15.915   3.921  18.653
   70   1HG   GLU  10          2HG       GLU  10 -14.951   1.497  20.202
   71   2HG   GLU  10          1HG       GLU  10 -14.828   3.178  20.721
   72    H    PHE  11           H        PHE  11 -14.964   1.832  15.766
   73    HA   PHE  11           HA       PHE  11 -16.402   3.901  14.316
   74   1HB   PHE  11          2HB       PHE  11 -13.953   2.375  13.944
   75   2HB   PHE  11          1HB       PHE  11 -14.877   2.464  12.447
   76    HD1  PHE  11           HD1      PHE  11 -16.237   5.181  13.083
   77    HD2  PHE  11           HD2      PHE  11 -12.148   3.855  13.272
   78    HE1  PHE  11           HE1      PHE  11 -15.463   7.511  12.784
   79    HE2  PHE  11           HE2      PHE  11 -11.386   6.187  12.972
   80    HZ   PHE  11           HZ       PHE  11 -13.040   8.017  12.732
   81    H    GLN  12           H        GLN  12 -16.721   0.484  14.671
   82    HA   GLN  12           HA       GLN  12 -17.986  -0.169  12.201
   83   1HB   GLN  12          2HB       GLN  12 -17.287  -1.859  13.888
   84   2HB   GLN  12          1HB       GLN  12 -18.570  -1.299  14.960
   85   1HG   GLN  12          2HG       GLN  12 -20.246  -1.871  13.221
   86   2HG   GLN  12          1HG       GLN  12 -18.950  -2.477  12.190
   87   1HE2  GLN  12          1HE2      GLN  12 -20.786  -4.384  12.774
   88   2HE2  GLN  12          2HE2      GLN  12 -20.237  -5.447  13.978
   89    H    ALA  13           H        ALA  13 -19.245   1.264  15.191
   90    HA   ALA  13           HA       ALA  13 -22.017   1.195  14.433
   91   1HB   ALA  13          3HB       ALA  13 -20.887   1.752  16.744
   92   2HB   ALA  13          1HB       ALA  13 -22.402   2.543  16.307
   93   3HB   ALA  13          2HB       ALA  13 -20.873   3.403  16.124
   94    H    PHE  14           H        PHE  14 -19.425   3.578  13.961
   95    HA   PHE  14           HA       PHE  14 -21.163   5.499  12.635
   96   1HB   PHE  14          2HB       PHE  14 -18.140   5.230  12.676
   97   2HB   PHE  14          1HB       PHE  14 -19.018   6.607  12.011
   98    HD1  PHE  14           HD1      PHE  14 -20.426   8.034  13.509
   99    HD2  PHE  14           HD2      PHE  14 -17.857   4.950  15.039
  100    HE1  PHE  14           HE1      PHE  14 -20.572   9.036  15.773
  101    HE2  PHE  14           HE2      PHE  14 -18.003   5.951  17.303
  102    HZ   PHE  14           HZ       PHE  14 -19.360   7.994  17.670
  103    H    MET  15           H        MET  15 -20.008   2.509  11.712
  104    HA   MET  15           HA       MET  15 -19.411   3.133   8.920
  105   1HB   MET  15          2HB       MET  15 -18.450   1.166  10.204
  106   2HB   MET  15          1HB       MET  15 -20.050   0.428  10.124
  107   1HG   MET  15          2HG       MET  15 -19.973   0.625   7.640
  108   2HG   MET  15          1HG       MET  15 -18.331   1.253   7.765
  109   1HE   MET  15          3HE       MET  15 -20.763  -1.534   8.006
  110   2HE   MET  15          2HE       MET  15 -19.891  -2.963   8.555
  111   3HE   MET  15          1HE       MET  15 -20.281  -1.683   9.701
  112    H    LYS  16           H        LYS  16 -20.927   3.354   7.335
  113    HA   LYS  16           HA       LYS  16 -23.611   2.122   7.795
  114   1HB   LYS  16          2HB       LYS  16 -23.462   4.670   8.227
  115   2HB   LYS  16          1HB       LYS  16 -23.284   4.816   6.478
  116   1HG   LYS  16          2HG       LYS  16 -25.400   3.558   6.174
  117   2HG   LYS  16          1HG       LYS  16 -25.581   3.459   7.925
  118   1HD   LYS  16          2HD       LYS  16 -25.712   5.886   8.093
  119   2HD   LYS  16          1HD       LYS  16 -25.383   6.055   6.369
  120   1HE   LYS  16          2HE       LYS  16 -27.509   4.370   6.284
  121   2HE   LYS  16          1HE       LYS  16 -27.890   5.273   7.750
  122   1HZ   LYS  16          2HZ       LYS  16 -27.016   7.132   5.907
  123   2HZ   LYS  16          1HZ       LYS  16 -28.064   6.105   5.050
  124   3HZ   LYS  16          3HZ       LYS  16 -28.608   6.895   6.449
  125    H    ASN  17           H        ASN  17 -24.602   1.307   5.933
  126    HA   ASN  17           HA       ASN  17 -24.615   0.333   3.795
  127   1HB   ASN  17          2HB       ASN  17 -24.730   2.980   3.467
  128   2HB   ASN  17          1HB       ASN  17 -23.158   2.709   2.713
  129   1HD2  ASN  17          1HD2      ASN  17 -24.624   3.471   0.754
  130   2HD2  ASN  17          2HD2      ASN  17 -25.394   2.231  -0.113
  131    H    GLY  18           H        GLY  18 -22.274  -0.195   5.487
  132   1HA   GLY  18          1HA       GLY  18 -20.553  -1.351   3.459
  133   2HA   GLY  18          2HA       GLY  18 -20.268  -1.397   5.200
  134    H    LYS  19           H        LYS  19 -20.752   1.715   4.893
  135    HA   LYS  19           HA       LYS  19 -17.997   2.355   3.928
  136   1HB   LYS  19          2HB       LYS  19 -19.989   3.444   2.778
  137   2HB   LYS  19          1HB       LYS  19 -20.306   4.278   4.298
  138   1HG   LYS  19          2HG       LYS  19 -17.561   4.643   3.828
  139   2HG   LYS  19          1HG       LYS  19 -18.328   4.877   2.257
  140   1HD   LYS  19          2HD       LYS  19 -20.053   6.290   3.729
  141   2HD   LYS  19          1HD       LYS  19 -18.643   6.451   4.776
  142   1HE   LYS  19          2HE       LYS  19 -17.805   6.848   2.065
  143   2HE   LYS  19          1HE       LYS  19 -19.209   7.871   2.369
  144   1HZ   LYS  19          1HZ       LYS  19 -17.732   8.137   4.626
  145   2HZ   LYS  19          3HZ       LYS  19 -16.545   8.064   3.417
  146   3HZ   LYS  19          2HZ       LYS  19 -17.767   9.242   3.335
  147    H    LEU  20           H        LEU  20 -16.600   3.407   5.350
  148    HA   LEU  20           HA       LEU  20 -17.507   3.540   8.167
  149   1HB   LEU  20          2HB       LEU  20 -15.405   2.408   7.854
  150   2HB   LEU  20          1HB       LEU  20 -14.774   3.730   6.872
  151    HG   LEU  20           HG       LEU  20 -15.060   5.232   8.899
  152   1HD1  LEU  20          2HD1      LEU  20 -16.592   3.250   9.895
  153   2HD1  LEU  20          1HD1      LEU  20 -15.046   2.806  10.619
  154   3HD1  LEU  20          3HD1      LEU  20 -15.739   4.399  10.927
  155   1HD2  LEU  20          2HD2      LEU  20 -13.186   2.862   8.925
  156   2HD2  LEU  20          1HD2      LEU  20 -12.844   4.515   8.415
  157   3HD2  LEU  20          3HD2      LEU  20 -13.078   4.151  10.125
  158    H    PHE  21           H        PHE  21 -18.187   5.452   8.978
  159    HA   PHE  21           HA       PHE  21 -17.552   7.948   7.520
  160   1HB   PHE  21          2HB       PHE  21 -19.423   7.304   9.813
  161   2HB   PHE  21          1HB       PHE  21 -19.147   8.947   9.235
  162    HD1  PHE  21           HD1      PHE  21 -19.858   5.544   7.801
  163    HD2  PHE  21           HD2      PHE  21 -20.636   9.766   7.652
  164    HE1  PHE  21           HE1      PHE  21 -21.491   5.178   5.971
  165    HE2  PHE  21           HE2      PHE  21 -22.270   9.400   5.822
  166    HZ   PHE  21           HZ       PHE  21 -22.697   7.106   4.981
  167    H    CYS  22           H        CYS  22 -15.835   9.157   8.152
  168    HA   CYS  22           HA       CYS  22 -14.757   8.724  10.899
  169   1HB   CYS  22          2HB       CYS  22 -13.489   8.746   8.419
  170   2HB   CYS  22          1HB       CYS  22 -13.106  10.326   9.102
  171    HA   PRO  23           HA       PRO  23 -16.767  12.969  10.920
  172   1HB   PRO  23          2HB       PRO  23 -18.006  12.645  13.299
  173   2HB   PRO  23          1HB       PRO  23 -18.731  12.153  11.766
  174   1HG   PRO  23          2HG       PRO  23 -17.304  10.491  13.811
  175   2HG   PRO  23          1HG       PRO  23 -18.793  10.131  12.929
  176   1HD   PRO  23          2HD       PRO  23 -16.410   9.080  12.209
  177   2HD   PRO  23          1HD       PRO  23 -17.658   9.474  11.026
  178    H    GLN  24           H        GLN  24 -16.413  14.682  12.575
  179    HA   GLN  24           HA       GLN  24 -13.748  14.484  13.724
  180   1HB   GLN  24          2HB       GLN  24 -14.734  16.598  12.777
  181   2HB   GLN  24          1HB       GLN  24 -15.827  16.647  14.159
  182   1HG   GLN  24          2HG       GLN  24 -13.915  16.736  15.695
  183   2HG   GLN  24          1HG       GLN  24 -12.798  16.620  14.335
  184   1HE2  GLN  24          1HE2      GLN  24 -12.497  18.867  15.898
  185   2HE2  GLN  24          2HE2      GLN  24 -13.122  20.238  15.117
  186    H    ASP  25           H        ASP  25 -13.319  13.600  15.683
  187    HA   ASP  25           HA       ASP  25 -15.546  13.137  17.572
  188   1HB   ASP  25          2HB       ASP  25 -13.954  11.302  17.095
  189   2HB   ASP  25          1HB       ASP  25 -12.635  12.296  17.712
  190    H    LYS  26           H        LYS  26 -15.971  14.687  19.064
  191    HA   LYS  26           HA       LYS  26 -14.464  16.981  19.589
  192   1HB   LYS  26          2HB       LYS  26 -16.201  15.454  21.555
  193   2HB   LYS  26          1HB       LYS  26 -15.703  17.138  21.722
  194   1HG   LYS  26          2HG       LYS  26 -16.842  17.665  19.577
  195   2HG   LYS  26          1HG       LYS  26 -17.381  15.989  19.470
  196   1HD   LYS  26          2HD       LYS  26 -18.599  16.241  21.601
  197   2HD   LYS  26          1HD       LYS  26 -18.056  17.916  21.715
  198   1HE   LYS  26          2HE       LYS  26 -19.280  18.525  19.730
  199   2HE   LYS  26          1HE       LYS  26 -19.649  16.837  19.374
  200   1HZ   LYS  26          2HZ       LYS  26 -20.641  17.013  21.814
  201   2HZ   LYS  26          1HZ       LYS  26 -20.846  18.629  21.332
  202   3HZ   LYS  26          3HZ       LYS  26 -21.553  17.381  20.428
  203    H    LYS  27           H        LYS  27 -14.117  13.755  20.963
  204    HA   LYS  27           HA       LYS  27 -11.786  14.740  22.553
  205   1HB   LYS  27          2HB       LYS  27 -13.790  12.571  22.951
  206   2HB   LYS  27          1HB       LYS  27 -12.142  12.237  23.484
  207   1HG   LYS  27          2HG       LYS  27 -12.979  14.916  24.252
  208   2HG   LYS  27          1HG       LYS  27 -14.081  13.695  24.887
  209   1HD   LYS  27          2HD       LYS  27 -11.205  13.030  25.111
  210   2HD   LYS  27          1HD       LYS  27 -11.737  14.394  26.094
  211   1HE   LYS  27          2HE       LYS  27 -13.312  13.084  27.270
  212   2HE   LYS  27          1HE       LYS  27 -13.293  11.810  26.050
  213   1HZ   LYS  27          1HZ       LYS  27 -10.960  11.377  26.664
  214   2HZ   LYS  27          3HZ       LYS  27 -11.095  12.510  27.918
  215   3HZ   LYS  27          2HZ       LYS  27 -12.042  11.100  27.944
  216    HA   PRO  28           HA       PRO  28  -9.795  12.594  18.999
  217   1HB   PRO  28          2HB       PRO  28  -7.473  13.961  19.213
  218   2HB   PRO  28          1HB       PRO  28  -8.883  14.588  18.356
  219   1HG   PRO  28          2HG       PRO  28  -7.934  15.184  21.136
  220   2HG   PRO  28          1HG       PRO  28  -8.523  16.302  19.901
  221   1HD   PRO  28          1HD       PRO  28 -10.097  15.467  21.925
  222   2HD   PRO  28          2HD       PRO  28 -10.745  15.791  20.316
  223    H    ILE  29           H        ILE  29  -8.701  10.709  19.236
  224    HA   ILE  29           HA       ILE  29  -7.287  10.216  21.809
  225    HB   ILE  29           HB       ILE  29  -9.115   8.640  20.990
  226   1HG1  ILE  29          2HG1      ILE  29  -6.298   7.788  21.627
  227   2HG1  ILE  29          1HG1      ILE  29  -7.724   7.744  22.658
  228   1HG2  ILE  29          1HG2      ILE  29  -6.960   8.000  18.946
  229   2HG2  ILE  29          3HG2      ILE  29  -8.412   7.034  19.210
  230   3HG2  ILE  29          2HG2      ILE  29  -8.548   8.684  18.602
  231   1HD1  ILE  29          1HD1      ILE  29  -8.444   6.107  20.549
  232   2HD1  ILE  29          3HD1      ILE  29  -6.729   5.753  20.751
  233   3HD1  ILE  29          2HD1      ILE  29  -7.836   5.550  22.109
  234    H    GLN  30           H        GLN  30  -5.163   9.217  21.742
  235    HA   GLN  30           HA       GLN  30  -3.591  10.102  19.399
  236   1HB   GLN  30          2HB       GLN  30  -2.718   8.882  22.039
  237   2HB   GLN  30          1HB       GLN  30  -1.634   9.520  20.802
  238   1HG   GLN  30          2HG       GLN  30  -2.735  11.742  21.024
  239   2HG   GLN  30          1HG       GLN  30  -3.744  11.091  22.315
  240   1HE2  GLN  30          1HE2      GLN  30  -1.812  13.271  22.653
  241   2HE2  GLN  30          2HE2      GLN  30  -0.634  12.724  23.746
  242    H    SER  31           H        SER  31  -3.386   8.678  17.743
  243    HA   SER  31           HA       SER  31  -3.919   5.835  18.138
  244   1HB   SER  31          2HB       SER  31  -3.686   5.640  15.765
  245   2HB   SER  31          1HB       SER  31  -4.531   7.159  16.064
  246    HG   SER  31           HG       SER  31  -2.976   7.845  14.792
  247    H    LEU  32           H        LEU  32  -2.170   4.532  16.531
  248    HA   LEU  32           HA       LEU  32   0.473   4.957  17.869
  249   1HB   LEU  32          2HB       LEU  32  -0.649   2.312  16.902
  250   2HB   LEU  32          1HB       LEU  32   0.788   2.565  17.889
  251    HG   LEU  32           HG       LEU  32  -0.754   3.608  19.637
  252   1HD1  LEU  32          3HD1      LEU  32  -2.700   2.750  17.556
  253   2HD1  LEU  32          2HD1      LEU  32  -3.148   2.420  19.230
  254   3HD1  LEU  32          1HD1      LEU  32  -2.807   4.073  18.717
  255   1HD2  LEU  32          3HD2      LEU  32   0.162   1.184  19.539
  256   2HD2  LEU  32          2HD2      LEU  32  -1.206   1.500  20.608
  257   3HD2  LEU  32          1HD2      LEU  32  -1.470   0.740  19.039
  258    H    ASP  33           H        ASP  33  -1.234   4.751  14.918
  259    HA   ASP  33           HA       ASP  33   1.026   3.868  13.288
  260   1HB   ASP  33          2HB       ASP  33  -1.688   5.029  12.638
  261   2HB   ASP  33          1HB       ASP  33  -0.496   4.653  11.393
  262    H    GLY  34           H        GLY  34   0.709   6.578  15.013
  263   1HA   GLY  34          1HA       GLY  34   2.382   8.121  13.131
  264   2HA   GLY  34          2HA       GLY  34   2.121   8.503  14.833
  265    H    ILE  35           H        ILE  35  -0.883   7.912  14.058
  266    HA   ILE  35           HA       ILE  35  -1.408  10.594  12.838
  267    HB   ILE  35           HB       ILE  35  -3.300   8.227  12.944
  268   1HG1  ILE  35          2HG1      ILE  35  -1.597   9.117  10.602
  269   2HG1  ILE  35          1HG1      ILE  35  -1.181   7.760  11.648
  270   1HG2  ILE  35          1HG2      ILE  35  -3.271  10.900  11.543
  271   2HG2  ILE  35          3HG2      ILE  35  -4.251   9.562  10.944
  272   3HG2  ILE  35          2HG2      ILE  35  -4.534  10.208  12.560
  273   1HD1  ILE  35          1HD1      ILE  35  -3.508   6.829  11.121
  274   2HD1  ILE  35          3HD1      ILE  35  -3.598   8.048   9.850
  275   3HD1  ILE  35          2HD1      ILE  35  -2.348   6.806   9.793
  276    H    MET  36           H        MET  36  -3.649  11.460  13.616
  277    HA   MET  36           HA       MET  36  -3.794  11.061  16.575
  278   1HB   MET  36          2HB       MET  36  -4.463  13.467  14.856
  279   2HB   MET  36          1HB       MET  36  -4.825  13.362  16.579
  280   1HG   MET  36          2HG       MET  36  -2.369  12.891  16.969
  281   2HG   MET  36          1HG       MET  36  -2.095  13.271  15.269
  282   1HE   MET  36          1HE       MET  36  -2.805  15.437  14.136
  283   2HE   MET  36          3HE       MET  36  -4.417  15.471  14.863
  284   3HE   MET  36          2HE       MET  36  -3.381  16.894  14.942
  285    H    PHE  37           H        PHE  37  -5.419   9.525  16.781
  286    HA   PHE  37           HA       PHE  37  -7.617   8.717  16.834
  287   1HB   PHE  37          2HB       PHE  37  -8.259  10.997  17.470
  288   2HB   PHE  37          1HB       PHE  37  -8.285  11.476  15.776
  289    HD1  PHE  37           HD1      PHE  37  -9.952  10.471  14.210
  290    HD2  PHE  37           HD2      PHE  37 -10.073   9.748  18.443
  291    HE1  PHE  37           HE1      PHE  37 -12.286   9.656  14.006
  292    HE2  PHE  37           HE2      PHE  37 -12.405   8.935  18.238
  293    HZ   PHE  37           HZ       PHE  37 -13.512   8.888  16.020
  294    H    ILE  38           H        ILE  38  -7.288  10.739  13.903
  295    HA   ILE  38           HA       ILE  38  -8.932   9.437  12.139
  296    HB   ILE  38           HB       ILE  38  -6.081  10.265  11.517
  297   1HG1  ILE  38          2HG1      ILE  38  -7.227  12.125  12.520
  298   2HG1  ILE  38          1HG1      ILE  38  -7.257  12.392  10.777
  299   1HG2  ILE  38          1HG2      ILE  38  -8.527   9.751   9.812
  300   2HG2  ILE  38          3HG2      ILE  38  -7.149  10.688   9.235
  301   3HG2  ILE  38          2HG2      ILE  38  -6.940   8.994   9.681
  302   1HD1  ILE  38          1HD1      ILE  38  -9.537  10.947  11.078
  303   2HD1  ILE  38          3HD1      ILE  38  -9.484  11.771  12.637
  304   3HD1  ILE  38          2HD1      ILE  38  -9.494  12.709  11.143
  305    H    ASN  39           H        ASN  39  -5.961   8.157  13.503
  306    HA   ASN  39           HA       ASN  39  -5.468   6.035  11.697
  307   1HB   ASN  39          2HB       ASN  39  -4.104   6.749  13.776
  308   2HB   ASN  39          1HB       ASN  39  -5.204   5.714  14.687
  309   1HD2  ASN  39          1HD2      ASN  39  -3.826   3.910  15.128
  310   2HD2  ASN  39          2HD2      ASN  39  -3.077   2.992  13.913
  311    H    LYS  40           H        LYS  40  -7.860   6.350  14.280
  312    HA   LYS  40           HA       LYS  40  -8.708   3.715  14.575
  313   1HB   LYS  40          2HB       LYS  40 -10.279   6.294  14.488
  314   2HB   LYS  40          1HB       LYS  40 -11.057   4.746  14.816
  315   1HG   LYS  40          2HG       LYS  40  -9.246   4.429  16.627
  316   2HG   LYS  40          1HG       LYS  40  -8.932   6.154  16.435
  317   1HD   LYS  40          2HD       LYS  40 -11.370   6.582  16.857
  318   2HD   LYS  40          1HD       LYS  40 -11.567   4.864  17.202
  319   1HE   LYS  40          2HE       LYS  40  -9.424   5.492  18.790
  320   2HE   LYS  40          1HE       LYS  40 -10.354   6.989  18.852
  321   1HZ   LYS  40          1HZ       LYS  40 -11.738   4.420  19.184
  322   2HZ   LYS  40          3HZ       LYS  40 -10.872   5.063  20.493
  323   3HZ   LYS  40          2HZ       LYS  40 -12.144   5.951  19.799
  324    H    CYS  41           H        CYS  41  -9.595   6.013  12.017
  325    HA   CYS  41           HA       CYS  41 -11.275   4.135  10.588
  326   1HB   CYS  41          2HB       CYS  41 -10.020   6.792   9.971
  327   2HB   CYS  41          1HB       CYS  41 -10.652   5.820   8.649
  328    H    ALA  42           H        ALA  42  -7.926   5.272  10.188
  329    HA   ALA  42           HA       ALA  42  -7.304   3.656   7.916
  330   1HB   ALA  42          3HB       ALA  42  -5.578   4.875  10.080
  331   2HB   ALA  42          2HB       ALA  42  -4.909   4.016   8.693
  332   3HB   ALA  42          1HB       ALA  42  -5.853   5.486   8.449
  333    H    THR  43           H        THR  43  -7.419   2.943  11.349
  334    HA   THR  43           HA       THR  43  -6.104   0.319  10.862
  335    HB   THR  43           HB       THR  43  -6.408   0.175  13.435
  336    HG1  THR  43           HG1      THR  43  -7.847   1.831  13.721
  337   1HG2  THR  43          1HG2      THR  43  -4.289   0.736  12.112
  338   2HG2  THR  43          3HG2      THR  43  -4.656   2.429  12.441
  339   3HG2  THR  43          2HG2      THR  43  -4.342   1.320  13.775
  340    H    CYS  44           H        CYS  44  -9.169   1.749  11.889
  341    HA   CYS  44           HA       CYS  44 -10.464  -0.751  12.512
  342   1HB   CYS  44          2HB       CYS  44 -11.326   1.405  13.336
  343   2HB   CYS  44          1HB       CYS  44 -11.668   1.905  11.681
  344    H    LYS  45           H        LYS  45 -10.099   1.137   9.547
  345    HA   LYS  45           HA       LYS  45 -12.073  -0.117   7.965
  346   1HB   LYS  45          2HB       LYS  45 -10.463   1.845   7.396
  347   2HB   LYS  45          1HB       LYS  45  -9.357   0.580   6.860
  348   1HG   LYS  45          2HG       LYS  45 -11.247  -0.316   5.424
  349   2HG   LYS  45          1HG       LYS  45 -12.147   1.148   5.825
  350   1HD   LYS  45          2HD       LYS  45 -10.408   2.541   4.847
  351   2HD   LYS  45          1HD       LYS  45  -9.384   1.132   4.571
  352   1HE   LYS  45          2HE       LYS  45 -10.687   0.361   2.809
  353   2HE   LYS  45          1HE       LYS  45 -12.147   1.149   3.408
  354   1HZ   LYS  45          2HZ       LYS  45 -10.082   3.025   2.802
  355   2HZ   LYS  45          1HZ       LYS  45 -10.493   2.086   1.446
  356   3HZ   LYS  45          3HZ       LYS  45 -11.690   2.975   2.255
  357    H    MET  46           H        MET  46  -8.799  -1.202   8.779
  358    HA   MET  46           HA       MET  46  -9.056  -3.586   7.082
  359   1HB   MET  46          2HB       MET  46  -6.957  -2.663   9.064
  360   2HB   MET  46          1HB       MET  46  -6.862  -4.205   8.214
  361   1HG   MET  46          2HG       MET  46  -7.086  -2.913   6.047
  362   2HG   MET  46          1HG       MET  46  -6.904  -1.434   6.990
  363   1HE   MET  46          1HE       MET  46  -5.330  -4.419   5.327
  364   2HE   MET  46          3HE       MET  46  -3.817  -4.721   6.194
  365   3HE   MET  46          2HE       MET  46  -5.364  -5.035   6.977
  366    H    ILE  47           H        ILE  47  -9.436  -2.686  10.455
  367    HA   ILE  47           HA       ILE  47  -9.716  -5.462  11.351
  368    HB   ILE  47           HB       ILE  47 -10.423  -2.889  12.797
  369   1HG1  ILE  47          2HG1      ILE  47  -7.883  -4.525  13.017
  370   2HG1  ILE  47          1HG1      ILE  47  -8.018  -3.092  11.999
  371   1HG2  ILE  47          1HG2      ILE  47 -10.384  -5.774  13.502
  372   2HG2  ILE  47          3HG2      ILE  47  -9.699  -4.675  14.699
  373   3HG2  ILE  47          2HG2      ILE  47 -11.366  -4.467  14.164
  374   1HD1  ILE  47          1HD1      ILE  47  -9.084  -2.352  14.503
  375   2HD1  ILE  47          3HD1      ILE  47  -7.613  -3.257  14.859
  376   3HD1  ILE  47          2HD1      ILE  47  -7.544  -1.840  13.812
  377    H    LEU  48           H        LEU  48 -11.735  -3.013   9.995
  378    HA   LEU  48           HA       LEU  48 -14.256  -3.901  11.093
  379   1HB   LEU  48          2HB       LEU  48 -13.592  -1.707   9.741
  380   2HB   LEU  48          1HB       LEU  48 -14.073  -2.685   8.358
  381    HG   LEU  48           HG       LEU  48 -16.071  -1.608   8.973
  382   1HD1  LEU  48          2HD1      LEU  48 -16.384  -4.053   8.788
  383   2HD1  LEU  48          1HD1      LEU  48 -16.072  -4.220  10.516
  384   3HD1  LEU  48          3HD1      LEU  48 -17.504  -3.355   9.958
  385   1HD2  LEU  48          3HD2      LEU  48 -14.811  -1.547  11.568
  386   2HD2  LEU  48          2HD2      LEU  48 -16.145  -0.565  10.965
  387   3HD2  LEU  48          1HD2      LEU  48 -16.469  -2.126  11.722
  388    H    GLU  49           H        GLU  49 -12.356  -4.744   8.223
  389    HA   GLU  49           HA       GLU  49 -14.345  -6.444   7.022
  390   1HB   GLU  49          2HB       GLU  49 -11.319  -6.564   6.803
  391   2HB   GLU  49          1HB       GLU  49 -12.459  -7.364   5.721
  392   1HG   GLU  49          2HG       GLU  49 -13.391  -5.178   5.072
  393   2HG   GLU  49          1HG       GLU  49 -12.275  -4.369   6.172
  394    H    LYS  50           H        LYS  50 -11.933  -6.925   9.530
  395    HA   LYS  50           HA       LYS  50 -11.824  -9.746   9.603
  396   1HB   LYS  50          2HB       LYS  50 -10.435  -8.205  11.007
  397   2HB   LYS  50          1HB       LYS  50 -11.858  -7.883  11.997
  398   1HG   LYS  50          2HG       LYS  50 -12.026 -10.307  12.510
  399   2HG   LYS  50          1HG       LYS  50 -10.567 -10.594  11.562
  400   1HD   LYS  50          2HD       LYS  50  -9.341  -9.012  13.069
  401   2HD   LYS  50          1HD       LYS  50 -10.794  -8.889  14.061
  402   1HE   LYS  50          2HE       LYS  50  -8.945 -10.632  14.712
  403   2HE   LYS  50          1HE       LYS  50 -10.641 -11.110  14.787
  404   1HZ   LYS  50          3HZ       LYS  50  -9.013 -11.512  12.352
  405   2HZ   LYS  50          2HZ       LYS  50  -9.054 -12.665  13.600
  406   3HZ   LYS  50          1HZ       LYS  50 -10.480 -12.252  12.773
  407    H    GLU  51           H        GLU  51 -14.224  -7.520  10.986
  408    HA   GLU  51           HA       GLU  51 -15.735  -9.408  12.462
  409   1HB   GLU  51          2HB       GLU  51 -16.672  -6.950  10.950
  410   2HB   GLU  51          1HB       GLU  51 -17.643  -7.831  12.130
  411   1HG   GLU  51          2HG       GLU  51 -15.891  -7.410  13.846
  412   2HG   GLU  51          1HG       GLU  51 -14.983  -6.470  12.662
  413    H    ALA  52           H        ALA  52 -15.660  -8.708   9.010
  414    HA   ALA  52           HA       ALA  52 -18.041 -10.134   8.293
  415   1HB   ALA  52          3HB       ALA  52 -15.530  -9.370   6.810
  416   2HB   ALA  52          1HB       ALA  52 -17.169  -8.754   6.594
  417   3HB   ALA  52          2HB       ALA  52 -16.757 -10.378   6.042
  418    H    LYS  53           H        LYS  53 -14.786 -11.164   9.066
  419    HA   LYS  53           HA       LYS  53 -14.825 -13.760   7.906
  420   1HB   LYS  53          2HB       LYS  53 -13.503 -12.789  10.458
  421   2HB   LYS  53          1HB       LYS  53 -13.162 -14.336   9.683
  422   1HG   LYS  53          2HG       LYS  53 -12.518 -13.103   7.606
  423   2HG   LYS  53          1HG       LYS  53 -12.751 -11.585   8.473
  424   1HD   LYS  53          2HD       LYS  53 -11.060 -12.341  10.155
  425   2HD   LYS  53          1HD       LYS  53 -10.773 -13.776   9.171
  426   1HE   LYS  53          2HE       LYS  53  -9.557 -12.623   7.635
  427   2HE   LYS  53          1HE       LYS  53 -10.653 -11.242   7.670
  428   1HZ   LYS  53          1HZ       LYS  53  -9.407 -11.331  10.141
  429   2HZ   LYS  53          3HZ       LYS  53  -8.181 -11.576   8.995
  430   3HZ   LYS  53          2HZ       LYS  53  -9.165 -10.193   8.902
  431    H    SER  54           H        SER  54 -16.219 -12.515  10.900
  432    HA   SER  54           HA       SER  54 -16.855 -15.014  12.118
  433   1HB   SER  54          2HB       SER  54 -18.444 -12.433  12.262
  434   2HB   SER  54          1HB       SER  54 -18.491 -13.759  13.424
  435    HG   SER  54           HG       SER  54 -16.922 -12.749  14.358
  436    H    GLN  55           H        GLN  55 -18.343 -13.247   9.489
  437    HA   GLN  55           HA       GLN  55 -19.933 -15.562   8.753
  438   1HB   GLN  55          2HB       GLN  55 -21.308 -14.571  10.603
  439   2HB   GLN  55          1HB       GLN  55 -21.432 -13.086   9.659
  440   1HG   GLN  55          2HG       GLN  55 -23.412 -14.351   9.181
  441   2HG   GLN  55          1HG       GLN  55 -22.369 -14.516   7.768
  442   1HE2  GLN  55          1HE2      GLN  55 -22.133 -16.641   7.068
  443   2HE2  GLN  55          2HE2      GLN  55 -22.287 -18.017   8.050

  No H/Q in entry =         443
  Start of MODEL   26
    1    H1   LYS   1          2H        LYS   1   0.895  16.988  17.656
    2    H2   LYS   1          1H        LYS   1  -0.728  16.858  18.143
    3    H3   LYS   1          3H        LYS   1   0.516  16.610  19.269
    4    HA   LYS   1           HA       LYS   1   1.135  14.574  18.353
    5   1HB   LYS   1          2HB       LYS   1  -1.880  14.844  18.157
    6   2HB   LYS   1          1HB       LYS   1  -1.008  13.314  18.239
    7   1HG   LYS   1          2HG       LYS   1  -0.028  14.038  20.420
    8   2HG   LYS   1          1HG       LYS   1  -1.016  15.497  20.346
    9   1HD   LYS   1          2HD       LYS   1  -3.055  14.054  20.219
   10   2HD   LYS   1          1HD       LYS   1  -2.025  12.637  20.428
   11   1HE   LYS   1          2HE       LYS   1  -1.166  13.771  22.563
   12   2HE   LYS   1          1HE       LYS   1  -2.522  14.885  22.389
   13   1HZ   LYS   1          3HZ       LYS   1  -4.002  12.929  22.326
   14   2HZ   LYS   1          2HZ       LYS   1  -2.667  11.932  22.658
   15   3HZ   LYS   1          1HZ       LYS   1  -3.173  13.086  23.798
   16    H    ASN   2           H        ASN   2   0.996  13.024  16.549
   17    HA   ASN   2           HA       ASN   2   1.111  12.520  14.260
   18   1HB   ASN   2          2HB       ASN   2  -1.094  14.596  14.077
   19   2HB   ASN   2          1HB       ASN   2  -0.699  13.390  12.852
   20   1HD2  ASN   2          1HD2      ASN   2  -3.146  13.832  14.772
   21   2HD2  ASN   2          2HD2      ASN   2  -3.402  12.286  15.423
   22    H    GLU   3           H        GLU   3   3.054  14.275  15.116
   23    HA   GLU   3           HA       GLU   3   3.136  16.735  13.613
   24   1HB   GLU   3          2HB       GLU   3   5.368  15.071  14.820
   25   2HB   GLU   3          1HB       GLU   3   5.569  16.700  14.174
   26   1HG   GLU   3          2HG       GLU   3   3.894  17.536  15.797
   27   2HG   GLU   3          1HG       GLU   3   3.734  15.909  16.457
   28    H    ASP   4           H        ASP   4   3.956  13.412  12.881
   29    HA   ASP   4           HA       ASP   4   5.682  13.834  10.663
   30   1HB   ASP   4          2HB       ASP   4   5.064  11.617  11.812
   31   2HB   ASP   4          1HB       ASP   4   3.622  11.627  10.794
   32    H    GLN   5           H        GLN   5   2.186  14.060  10.961
   33    HA   GLN   5           HA       GLN   5   1.521  14.026   8.189
   34   1HB   GLN   5          2HB       GLN   5   0.206  15.508  10.487
   35   2HB   GLN   5          1HB       GLN   5  -0.510  15.297   8.890
   36   1HG   GLN   5          2HG       GLN   5  -0.451  12.860   9.160
   37   2HG   GLN   5          1HG       GLN   5   0.332  13.037  10.731
   38   1HE2  GLN   5          1HE2      GLN   5  -2.221  11.731  10.442
   39   2HE2  GLN   5          2HE2      GLN   5  -3.391  12.684  11.219
   40    H    GLU   6           H        GLU   6   2.791  16.567  10.274
   41    HA   GLU   6           HA       GLU   6   2.302  18.799   8.576
   42   1HB   GLU   6          2HB       GLU   6   4.567  18.255  10.517
   43   2HB   GLU   6          1HB       GLU   6   4.281  19.817   9.750
   44   1HG   GLU   6          2HG       GLU   6   1.957  19.787  10.711
   45   2HG   GLU   6          1HG       GLU   6   2.392  18.323  11.592
   46    H    MET   7           H        MET   7   5.076  16.558   8.724
   47    HA   MET   7           HA       MET   7   6.592  17.813   6.652
   48   1HB   MET   7          2HB       MET   7   6.497  14.934   7.598
   49   2HB   MET   7          1HB       MET   7   7.676  15.539   6.435
   50   1HG   MET   7          2HG       MET   7   8.616  17.048   8.036
   51   2HG   MET   7          1HG       MET   7   7.279  16.795   9.159
   52   1HE   MET   7          2HE       MET   7   9.349  16.918  10.419
   53   2HE   MET   7          1HE       MET   7   8.953  15.569  11.481
   54   3HE   MET   7          3HE       MET   7  10.530  15.637  10.683
   55    H    CYS   8           H        CYS   8   3.721  15.909   6.574
   56    HA   CYS   8           HA       CYS   8   4.052  15.039   3.799
   57   1HB   CYS   8          2HB       CYS   8   1.629  15.029   5.620
   58   2HB   CYS   8          1HB       CYS   8   1.709  14.259   4.034
   59    H    HIS   9           H        HIS   9   2.902  17.855   5.434
   60    HA   HIS   9           HA       HIS   9   1.005  18.861   3.598
   61   1HB   HIS   9          2HB       HIS   9   1.350  20.114   5.598
   62   2HB   HIS   9          1HB       HIS   9   3.085  20.241   5.312
   63    HD1  HIS   9           HD1      HIS   9   3.710  21.632   3.013
   64    HD2  HIS   9           HD2      HIS   9  -0.062  22.302   4.658
   65    HE1  HIS   9           HE1      HIS   9   2.872  23.804   2.020
   66    H    GLU  10           H        GLU  10   4.553  19.360   3.604
   67    HA   GLU  10           HA       GLU  10   4.550  20.606   0.990
   68   1HB   GLU  10          2HB       GLU  10   6.812  19.290   2.527
   69   2HB   GLU  10          1HB       GLU  10   7.004  20.316   1.105
   70   1HG   GLU  10          2HG       GLU  10   5.923  22.184   2.324
   71   2HG   GLU  10          1HG       GLU  10   5.780  21.157   3.751
   72    H    PHE  11           H        PHE  11   4.972  17.305   2.188
   73    HA   PHE  11           HA       PHE  11   5.704  16.267  -0.440
   74   1HB   PHE  11          2HB       PHE  11   5.363  15.195   2.290
   75   2HB   PHE  11          1HB       PHE  11   4.901  14.077   1.006
   76    HD1  PHE  11           HD1      PHE  11   7.374  16.707   0.369
   77    HD2  PHE  11           HD2      PHE  11   6.840  12.590   1.490
   78    HE1  PHE  11           HE1      PHE  11   9.761  16.261  -0.119
   79    HE2  PHE  11           HE2      PHE  11   9.218  12.154   0.992
   80    HZ   PHE  11           HZ       PHE  11  10.685  13.982   0.196
   81    H    GLN  12           H        GLN  12   2.909  17.524   0.684
   82    HA   GLN  12           HA       GLN  12   1.103  15.523  -0.543
   83   1HB   GLN  12          2HB       GLN  12   0.782  17.898   1.235
   84   2HB   GLN  12          1HB       GLN  12  -0.549  17.539   0.135
   85   1HG   GLN  12          2HG       GLN  12  -0.670  15.245   1.000
   86   2HG   GLN  12          1HG       GLN  12   0.702  15.560   2.063
   87   1HE2  GLN  12          1HE2      GLN  12  -1.450  14.801   3.473
   88   2HE2  GLN  12          2HE2      GLN  12  -2.259  16.112   4.185
   89    H    ALA  13           H        ALA  13   2.337  18.801  -1.020
   90    HA   ALA  13           HA       ALA  13   0.699  19.330  -3.364
   91   1HB   ALA  13          1HB       ALA  13   1.399  21.385  -2.708
   92   2HB   ALA  13          2HB       ALA  13   2.902  21.002  -3.549
   93   3HB   ALA  13          3HB       ALA  13   2.765  20.720  -1.814
   94    H    PHE  14           H        PHE  14   3.649  17.641  -2.742
   95    HA   PHE  14           HA       PHE  14   4.525  17.760  -5.561
   96   1HB   PHE  14          2HB       PHE  14   5.636  16.165  -3.226
   97   2HB   PHE  14          1HB       PHE  14   6.400  16.360  -4.803
   98    HD1  PHE  14           HD1      PHE  14   5.646  19.284  -5.242
   99    HD2  PHE  14           HD2      PHE  14   7.295  17.219  -1.855
  100    HE1  PHE  14           HE1      PHE  14   6.703  21.392  -4.470
  101    HE2  PHE  14           HE2      PHE  14   8.351  19.326  -1.084
  102    HZ   PHE  14           HZ       PHE  14   8.055  21.413  -2.391
  103    H    MET  15           H        MET  15   1.979  16.402  -4.402
  104    HA   MET  15           HA       MET  15   2.383  13.575  -5.007
  105   1HB   MET  15          2HB       MET  15   0.232  15.289  -3.975
  106   2HB   MET  15          1HB       MET  15  -0.343  14.007  -5.039
  107   1HG   MET  15          2HG       MET  15   1.182  12.444  -3.637
  108   2HG   MET  15          1HG       MET  15   1.202  13.760  -2.462
  109   1HE   MET  15          2HE       MET  15  -0.611  15.047  -1.933
  110   2HE   MET  15          1HE       MET  15  -2.236  14.839  -2.583
  111   3HE   MET  15          3HE       MET  15  -1.843  14.243  -0.964
  112    H    LYS  16           H        LYS  16   1.534  12.475  -6.851
  113    HA   LYS  16           HA       LYS  16   0.387  14.144  -9.019
  114   1HB   LYS  16          2HB       LYS  16   2.935  14.068  -9.248
  115   2HB   LYS  16          1HB       LYS  16   2.752  12.346  -9.581
  116   1HG   LYS  16          2HG       LYS  16   1.221  12.880 -11.454
  117   2HG   LYS  16          1HG       LYS  16   1.437  14.600 -11.130
  118   1HD   LYS  16          2HD       LYS  16   3.824  14.429 -11.614
  119   2HD   LYS  16          1HD       LYS  16   3.684  12.684 -11.824
  120   1HE   LYS  16          2HE       LYS  16   2.073  13.093 -13.698
  121   2HE   LYS  16          1HE       LYS  16   2.379  14.822 -13.533
  122   1HZ   LYS  16          3HZ       LYS  16   4.747  13.175 -13.724
  123   2HZ   LYS  16          2HZ       LYS  16   3.781  13.187 -15.121
  124   3HZ   LYS  16          1HZ       LYS  16   4.382  14.645 -14.487
  125    H    ASN  17           H        ASN  17  -1.106  13.017 -10.202
  126    HA   ASN  17           HA       ASN  17  -2.575  11.257 -10.716
  127   1HB   ASN  17          2HB       ASN  17   0.073   9.780 -10.694
  128   2HB   ASN  17          1HB       ASN  17  -1.429   9.131 -11.352
  129   1HD2  ASN  17          1HD2      ASN  17   0.925   9.610 -12.977
  130   2HD2  ASN  17          2HD2      ASN  17   0.544  10.834 -14.090
  131    H    GLY  18           H        GLY  18  -2.198  11.816  -7.876
  132   1HA   GLY  18          1HA       GLY  18  -3.368   9.376  -6.814
  133   2HA   GLY  18          2HA       GLY  18  -3.004  10.833  -5.887
  134    H    LYS  19           H        LYS  19  -0.188  10.789  -6.918
  135    HA   LYS  19           HA       LYS  19   0.824   8.628  -5.118
  136   1HB   LYS  19          2HB       LYS  19   1.127   8.239  -7.652
  137   2HB   LYS  19          1HB       LYS  19   2.288   9.565  -7.586
  138   1HG   LYS  19          2HG       LYS  19   3.068   8.031  -5.442
  139   2HG   LYS  19          1HG       LYS  19   2.531   6.801  -6.587
  140   1HD   LYS  19          2HD       LYS  19   3.933   8.145  -8.327
  141   2HD   LYS  19          1HD       LYS  19   4.707   8.858  -6.912
  142   1HE   LYS  19          2HE       LYS  19   5.720   6.882  -6.300
  143   2HE   LYS  19          1HE       LYS  19   4.417   5.890  -6.954
  144   1HZ   LYS  19          2HZ       LYS  19   5.889   7.437  -8.909
  145   2HZ   LYS  19          1HZ       LYS  19   6.788   6.217  -8.141
  146   3HZ   LYS  19          3HZ       LYS  19   5.362   5.823  -8.970
  147    H    LEU  20           H        LEU  20   2.783   9.188  -3.984
  148    HA   LEU  20           HA       LEU  20   3.088  12.115  -3.640
  149   1HB   LEU  20          2HB       LEU  20   2.857  10.363  -1.720
  150   2HB   LEU  20          1HB       LEU  20   4.549  10.001  -2.053
  151    HG   LEU  20           HG       LEU  20   3.413  12.717  -1.310
  152   1HD1  LEU  20          2HD1      LEU  20   4.192  10.522   0.279
  153   2HD1  LEU  20          1HD1      LEU  20   5.537  11.665   0.360
  154   3HD1  LEU  20          3HD1      LEU  20   3.911  12.177   0.822
  155   1HD2  LEU  20          1HD2      LEU  20   6.078  11.803  -2.322
  156   2HD2  LEU  20          3HD2      LEU  20   5.214  13.308  -2.646
  157   3HD2  LEU  20          2HD2      LEU  20   6.036  13.077  -1.102
  158    H    PHE  21           H        PHE  21   4.396  12.819  -5.343
  159    HA   PHE  21           HA       PHE  21   6.830  11.315  -6.034
  160   1HB   PHE  21          2HB       PHE  21   5.426  13.735  -7.121
  161   2HB   PHE  21          1HB       PHE  21   7.129  13.487  -7.512
  162    HD1  PHE  21           HD1      PHE  21   3.784  11.826  -7.579
  163    HD2  PHE  21           HD2      PHE  21   7.785  11.898  -9.140
  164    HE1  PHE  21           HE1      PHE  21   3.153  10.130  -9.276
  165    HE2  PHE  21           HE2      PHE  21   7.153  10.204 -10.837
  166    HZ   PHE  21           HZ       PHE  21   4.837   9.319 -10.904
  167    H    CYS  22           H        CYS  22   7.513  11.646  -3.679
  168    HA   CYS  22           HA       CYS  22   8.235  14.092  -2.533
  169   1HB   CYS  22          2HB       CYS  22  10.110  12.717  -1.435
  170   2HB   CYS  22          1HB       CYS  22   8.457  12.144  -1.202
  171    HA   PRO  23           HA       PRO  23  11.353  15.312  -5.585
  172   1HB   PRO  23          2HB       PRO  23  11.460  17.892  -4.818
  173   2HB   PRO  23          1HB       PRO  23  10.177  17.257  -5.849
  174   1HG   PRO  23          2HG       PRO  23  10.129  17.914  -2.947
  175   2HG   PRO  23          1HG       PRO  23   8.854  18.084  -4.153
  176   1HD   PRO  23          2HD       PRO  23   9.010  16.033  -2.306
  177   2HD   PRO  23          1HD       PRO  23   8.097  15.961  -3.812
  178    H    GLN  24           H        GLN  24  13.510  16.508  -5.294
  179    HA   GLN  24           HA       GLN  24  14.702  15.656  -2.703
  180   1HB   GLN  24          2HB       GLN  24  15.717  14.888  -4.883
  181   2HB   GLN  24          1HB       GLN  24  16.129  16.571  -5.215
  182   1HG   GLN  24          2HG       GLN  24  17.490  16.675  -3.189
  183   2HG   GLN  24          1HG       GLN  24  17.004  15.039  -2.745
  184   1HE2  GLN  24          1HE2      GLN  24  19.711  15.380  -2.989
  185   2HE2  GLN  24          2HE2      GLN  24  20.288  14.705  -4.436
  186    H    ASP  25           H        ASP  25  14.796  17.246  -1.194
  187    HA   ASP  25           HA       ASP  25  14.935  20.073  -2.075
  188   1HB   ASP  25          2HB       ASP  25  14.541  18.830   0.664
  189   2HB   ASP  25          1HB       ASP  25  14.545  20.564   0.342
  190    H    LYS  26           H        LYS  26  16.662  21.445  -1.484
  191    HA   LYS  26           HA       LYS  26  19.253  20.230  -1.293
  192   1HB   LYS  26          2HB       LYS  26  18.371  23.079  -0.737
  193   2HB   LYS  26          1HB       LYS  26  20.050  22.560  -0.884
  194   1HG   LYS  26          2HG       LYS  26  19.563  21.736  -3.183
  195   2HG   LYS  26          1HG       LYS  26  17.916  22.347  -3.031
  196   1HD   LYS  26          2HD       LYS  26  18.849  24.630  -2.623
  197   2HD   LYS  26          1HD       LYS  26  20.466  23.987  -2.911
  198   1HE   LYS  26          2HE       LYS  26  18.196  23.803  -4.912
  199   2HE   LYS  26          1HE       LYS  26  19.425  25.067  -4.935
  200   1HZ   LYS  26          2HZ       LYS  26  20.739  22.626  -4.700
  201   2HZ   LYS  26          1HZ       LYS  26  19.589  22.447  -5.937
  202   3HZ   LYS  26          3HZ       LYS  26  20.742  23.687  -6.027
  203    H    LYS  27           H        LYS  27  16.974  21.386   1.113
  204    HA   LYS  27           HA       LYS  27  18.966  21.167   3.276
  205   1HB   LYS  27          2HB       LYS  27  16.666  22.674   2.951
  206   2HB   LYS  27          1HB       LYS  27  16.154  21.412   4.071
  207   1HG   LYS  27          2HG       LYS  27  17.975  21.938   5.584
  208   2HG   LYS  27          1HG       LYS  27  18.663  23.076   4.426
  209   1HD   LYS  27          2HD       LYS  27  17.425  24.326   6.108
  210   2HD   LYS  27          1HD       LYS  27  16.553  24.421   4.578
  211   1HE   LYS  27          2HE       LYS  27  15.565  22.103   5.777
  212   2HE   LYS  27          1HE       LYS  27  15.715  23.244   7.113
  213   1HZ   LYS  27          1HZ       LYS  27  14.394  23.872   4.531
  214   2HZ   LYS  27          3HZ       LYS  27  13.564  23.362   5.919
  215   3HZ   LYS  27          2HZ       LYS  27  14.414  24.833   5.932
  216    HA   PRO  28           HA       PRO  28  18.051  16.832   3.883
  217   1HB   PRO  28          2HB       PRO  28  19.390  16.536   6.209
  218   2HB   PRO  28          1HB       PRO  28  20.199  16.642   4.644
  219   1HG   PRO  28          2HG       PRO  28  19.801  18.759   6.722
  220   2HG   PRO  28          1HG       PRO  28  21.239  18.399   5.763
  221   1HD   PRO  28          1HD       PRO  28  19.562  20.439   5.153
  222   2HD   PRO  28          2HD       PRO  28  20.455  19.548   3.920
  223    H    ILE  29           H        ILE  29  16.528  15.672   5.049
  224    HA   ILE  29           HA       ILE  29  15.148  17.154   7.248
  225    HB   ILE  29           HB       ILE  29  14.147  15.482   4.985
  226   1HG1  ILE  29          2HG1      ILE  29  13.932  17.995   5.204
  227   2HG1  ILE  29          1HG1      ILE  29  12.405  17.145   4.964
  228   1HG2  ILE  29          1HG2      ILE  29  13.494  14.179   7.032
  229   2HG2  ILE  29          3HG2      ILE  29  12.676  15.619   7.637
  230   3HG2  ILE  29          2HG2      ILE  29  12.111  14.837   6.160
  231   1HD1  ILE  29          3HD1      ILE  29  12.938  17.192   7.767
  232   2HD1  ILE  29          2HD1      ILE  29  13.171  18.830   7.152
  233   3HD1  ILE  29          1HD1      ILE  29  11.633  18.002   6.897
  234    H    GLN  30           H        GLN  30  15.457  16.264   9.222
  235    HA   GLN  30           HA       GLN  30  16.509  13.505   9.393
  236   1HB   GLN  30          2HB       GLN  30  17.620  15.178  10.764
  237   2HB   GLN  30          1HB       GLN  30  16.086  15.648  11.498
  238   1HG   GLN  30          2HG       GLN  30  15.851  13.442  12.512
  239   2HG   GLN  30          1HG       GLN  30  17.302  12.874  11.686
  240   1HE2  GLN  30          1HE2      GLN  30  19.229  13.097  12.842
  241   2HE2  GLN  30          2HE2      GLN  30  19.446  14.117  14.181
  242    H    SER  31           H        SER  31  14.689  12.253   8.913
  243    HA   SER  31           HA       SER  31  12.138  12.730  10.243
  244   1HB   SER  31          2HB       SER  31  11.332  11.336   8.657
  245   2HB   SER  31          1HB       SER  31  12.946  11.399   7.948
  246    HG   SER  31           HG       SER  31  11.686   9.365   9.248
  247    H    LEU  32           H        LEU  32  11.129  11.204  11.714
  248    HA   LEU  32           HA       LEU  32  13.087  10.043  13.600
  249   1HB   LEU  32          2HB       LEU  32  10.997   9.696  15.008
  250   2HB   LEU  32          1HB       LEU  32  11.373  11.376  14.626
  251    HG   LEU  32           HG       LEU  32   9.764  10.226  12.519
  252   1HD1  LEU  32          1HD1      LEU  32   8.688  10.008  15.344
  253   2HD1  LEU  32          3HD1      LEU  32   7.675   9.967  13.900
  254   3HD1  LEU  32          2HD1      LEU  32   8.873   8.701  14.173
  255   1HD2  LEU  32          1HD2      LEU  32  10.171  12.672  13.511
  256   2HD2  LEU  32          3HD2      LEU  32   8.670  12.255  12.684
  257   3HD2  LEU  32          2HD2      LEU  32   8.732  12.265  14.446
  258    H    ASP  33           H        ASP  33  11.157   8.992  11.009
  259    HA   ASP  33           HA       ASP  33  10.434   6.373  11.977
  260   1HB   ASP  33          2HB       ASP  33   9.481   7.584   9.938
  261   2HB   ASP  33          1HB       ASP  33  10.960   7.119   9.095
  262    H    GLY  34           H        GLY  34  13.437   7.720  11.325
  263   1HA   GLY  34          1HA       GLY  34  14.627   4.998  11.065
  264   2HA   GLY  34          2HA       GLY  34  15.453   6.396  11.755
  265    H    ILE  35           H        ILE  35  13.912   7.723   9.244
  266    HA   ILE  35           HA       ILE  35  16.197   7.203   7.386
  267    HB   ILE  35           HB       ILE  35  13.432   7.905   6.406
  268   1HG1  ILE  35          2HG1      ILE  35  14.393   5.066   6.422
  269   2HG1  ILE  35          1HG1      ILE  35  13.635   5.710   7.877
  270   1HG2  ILE  35          1HG2      ILE  35  15.384   8.130   4.890
  271   2HG2  ILE  35          3HG2      ILE  35  15.772   6.431   5.161
  272   3HG2  ILE  35          2HG2      ILE  35  14.272   6.874   4.345
  273   1HD1  ILE  35          3HD1      ILE  35  11.918   6.603   5.945
  274   2HD1  ILE  35          2HD1      ILE  35  12.435   5.066   5.257
  275   3HD1  ILE  35          1HD1      ILE  35  11.691   5.111   6.854
  276    H    MET  36           H        MET  36  16.889   9.058   6.181
  277    HA   MET  36           HA       MET  36  16.160  11.624   7.486
  278   1HB   MET  36          2HB       MET  36  18.372  10.948   5.521
  279   2HB   MET  36          1HB       MET  36  18.153  12.507   6.316
  280   1HG   MET  36          2HG       MET  36  18.375  11.374   8.525
  281   2HG   MET  36          1HG       MET  36  18.684   9.853   7.687
  282   1HE   MET  36          1HE       MET  36  20.142   9.573   5.931
  283   2HE   MET  36          3HE       MET  36  20.865  10.975   5.129
  284   3HE   MET  36          2HE       MET  36  21.862   9.909   6.117
  285    H    PHE  37           H        PHE  37  14.497  12.696   6.529
  286    HA   PHE  37           HA       PHE  37  13.241  13.748   4.854
  287   1HB   PHE  37          2HB       PHE  37  15.474  14.494   4.057
  288   2HB   PHE  37          1HB       PHE  37  15.590  13.031   3.083
  289    HD1  PHE  37           HD1      PHE  37  13.951  12.628   1.232
  290    HD2  PHE  37           HD2      PHE  37  14.143  16.361   3.349
  291    HE1  PHE  37           HE1      PHE  37  12.676  13.724  -0.587
  292    HE2  PHE  37           HE2      PHE  37  12.864  17.457   1.530
  293    HZ   PHE  37           HZ       PHE  37  12.131  16.139  -0.439
  294    H    ILE  38           H        ILE  38  14.908  11.050   3.211
  295    HA   ILE  38           HA       ILE  38  12.922  10.253   1.469
  296    HB   ILE  38           HB       ILE  38  14.629   8.403   3.162
  297   1HG1  ILE  38          1HG1      ILE  38  16.069   9.894   1.972
  298   2HG1  ILE  38          2HG1      ILE  38  16.021   8.412   1.017
  299   1HG2  ILE  38          3HG2      ILE  38  13.050   7.988   0.611
  300   2HG2  ILE  38          2HG2      ILE  38  14.307   6.878   1.158
  301   3HG2  ILE  38          1HG2      ILE  38  12.862   7.128   2.139
  302   1HD1  ILE  38          1HD1      ILE  38  13.902   9.742  -0.047
  303   2HD1  ILE  38          3HD1      ILE  38  14.936  11.100   0.394
  304   3HD1  ILE  38          2HD1      ILE  38  15.539   9.850  -0.694
  305    H    ASN  39           H        ASN  39  12.869   9.968   4.958
  306    HA   ASN  39           HA       ASN  39  10.876   7.974   5.248
  307   1HB   ASN  39          2HB       ASN  39  12.135   9.000   7.152
  308   2HB   ASN  39          1HB       ASN  39  11.178  10.468   6.943
  309   1HD2  ASN  39          1HD2      ASN  39   9.704  10.448   8.677
  310   2HD2  ASN  39          2HD2      ASN  39   8.722   9.126   9.085
  311    H    LYS  40           H        LYS  40  10.457  11.527   5.007
  312    HA   LYS  40           HA       LYS  40   7.711  11.728   5.129
  313   1HB   LYS  40          2HB       LYS  40   9.529  13.110   3.131
  314   2HB   LYS  40          1HB       LYS  40   7.884  13.617   3.514
  315   1HG   LYS  40          2HG       LYS  40   8.643  13.759   5.951
  316   2HG   LYS  40          1HG       LYS  40  10.292  13.592   5.347
  317   1HD   LYS  40          2HD       LYS  40   9.947  15.573   3.897
  318   2HD   LYS  40          1HD       LYS  40   8.316  15.750   4.542
  319   1HE   LYS  40          2HE       LYS  40   9.603  15.713   6.868
  320   2HE   LYS  40          1HE       LYS  40  10.950  16.261   5.871
  321   1HZ   LYS  40          1HZ       LYS  40   8.270  17.530   5.878
  322   2HZ   LYS  40          3HZ       LYS  40   9.580  18.081   6.802
  323   3HZ   LYS  40          2HZ       LYS  40   9.671  18.099   5.106
  324    H    CYS  41           H        CYS  41   9.643  10.640   2.377
  325    HA   CYS  41           HA       CYS  41   7.386  10.286   0.601
  326   1HB   CYS  41          2HB       CYS  41   9.968  10.451   0.104
  327   2HB   CYS  41          1HB       CYS  41   9.922   8.708   0.344
  328    H    ALA  42           H        ALA  42   9.305   8.062   2.623
  329    HA   ALA  42           HA       ALA  42   7.661   5.766   1.920
  330   1HB   ALA  42          1HB       ALA  42  10.036   6.300   3.537
  331   2HB   ALA  42          3HB       ALA  42   8.953   5.129   4.289
  332   3HB   ALA  42          2HB       ALA  42   9.578   4.837   2.667
  333    H    THR  43           H        THR  43   7.337   8.360   4.151
  334    HA   THR  43           HA       THR  43   5.406   6.778   5.781
  335    HB   THR  43           HB       THR  43   6.005   9.569   6.559
  336    HG1  THR  43           HG1      THR  43   8.071   9.323   6.539
  337   1HG2  THR  43          1HG2      THR  43   5.380   6.951   7.757
  338   2HG2  THR  43          3HG2      THR  43   6.543   7.911   8.672
  339   3HG2  THR  43          2HG2      THR  43   4.950   8.572   8.304
  340    H    CYS  44           H        CYS  44   5.669   9.973   4.159
  341    HA   CYS  44           HA       CYS  44   2.885  10.570   4.464
  342   1HB   CYS  44          2HB       CYS  44   4.886  11.602   2.438
  343   2HB   CYS  44          1HB       CYS  44   3.271  12.262   2.670
  344    H    LYS  45           H        LYS  45   4.658   8.681   2.080
  345    HA   LYS  45           HA       LYS  45   2.713   8.646   0.008
  346   1HB   LYS  45          2HB       LYS  45   4.888   6.833   0.907
  347   2HB   LYS  45          1HB       LYS  45   3.627   6.090  -0.074
  348   1HG   LYS  45          2HG       LYS  45   3.939   7.915  -1.760
  349   2HG   LYS  45          1HG       LYS  45   5.295   8.515  -0.805
  350   1HD   LYS  45          2HD       LYS  45   6.240   6.118  -0.991
  351   2HD   LYS  45          1HD       LYS  45   5.052   5.888  -2.274
  352   1HE   LYS  45          2HE       LYS  45   6.483   8.400  -2.598
  353   2HE   LYS  45          1HE       LYS  45   7.594   7.032  -2.547
  354   1HZ   LYS  45          1HZ       LYS  45   5.586   6.121  -4.106
  355   2HZ   LYS  45          3HZ       LYS  45   5.665   7.755  -4.555
  356   3HZ   LYS  45          2HZ       LYS  45   7.047   6.773  -4.678
  357    H    MET  46           H        MET  46   2.913   6.888   3.054
  358    HA   MET  46           HA       MET  46   0.474   5.350   2.488
  359   1HB   MET  46          2HB       MET  46   2.134   5.649   5.012
  360   2HB   MET  46          1HB       MET  46   0.786   4.528   4.820
  361   1HG   MET  46          2HG       MET  46   1.991   3.485   2.891
  362   2HG   MET  46          1HG       MET  46   3.362   4.547   3.216
  363   1HE   MET  46          3HE       MET  46   3.928   5.045   5.533
  364   2HE   MET  46          2HE       MET  46   3.115   4.250   6.879
  365   3HE   MET  46          1HE       MET  46   4.749   3.762   6.433
  366    H    ILE  47           H        ILE  47   1.370   8.378   3.885
  367    HA   ILE  47           HA       ILE  47  -1.109   8.682   5.431
  368    HB   ILE  47           HB       ILE  47   1.078  10.656   4.714
  369   1HG1  ILE  47          2HG1      ILE  47   1.905   8.930   6.190
  370   2HG1  ILE  47          1HG1      ILE  47   1.626  10.374   7.162
  371   1HG2  ILE  47          1HG2      ILE  47  -1.546  11.154   5.621
  372   2HG2  ILE  47          3HG2      ILE  47  -0.504  11.332   7.034
  373   3HG2  ILE  47          2HG2      ILE  47  -0.197  12.291   5.585
  374   1HD1  ILE  47          2HD1      ILE  47  -0.639   9.448   7.755
  375   2HD1  ILE  47          1HD1      ILE  47  -0.192   7.958   6.924
  376   3HD1  ILE  47          3HD1      ILE  47   0.703   8.473   8.354
  377    H    LEU  48           H        LEU  48   0.160   9.594   2.271
  378    HA   LEU  48           HA       LEU  48  -2.089  11.380   1.702
  379   1HB   LEU  48          2HB       LEU  48  -0.038  10.186  -0.191
  380   2HB   LEU  48          1HB       LEU  48  -1.131  11.520  -0.547
  381    HG   LEU  48           HG       LEU  48   1.242  11.475   1.305
  382   1HD1  LEU  48          2HD1      LEU  48   1.352  12.240  -1.118
  383   2HD1  LEU  48          1HD1      LEU  48   0.298  13.577  -0.654
  384   3HD1  LEU  48          3HD1      LEU  48   1.898  13.423   0.074
  385   1HD2  LEU  48          1HD2      LEU  48  -1.123  13.369   1.395
  386   2HD2  LEU  48          3HD2      LEU  48  -0.523  12.353   2.706
  387   3HD2  LEU  48          2HD2      LEU  48   0.438  13.718   2.138
  388    H    GLU  49           H        GLU  49  -1.342   7.998   1.332
  389    HA   GLU  49           HA       GLU  49  -3.409   7.468  -0.651
  390   1HB   GLU  49          2HB       GLU  49  -1.781   5.710   1.198
  391   2HB   GLU  49          1HB       GLU  49  -3.033   5.055   0.142
  392   1HG   GLU  49          2HG       GLU  49  -1.889   6.044  -1.817
  393   2HG   GLU  49          1HG       GLU  49  -0.629   6.675  -0.756
  394    H    LYS  50           H        LYS  50  -3.176   7.486   2.864
  395    HA   LYS  50           HA       LYS  50  -5.583   6.145   3.513
  396   1HB   LYS  50          2HB       LYS  50  -3.865   6.901   5.168
  397   2HB   LYS  50          1HB       LYS  50  -4.407   8.561   4.922
  398   1HG   LYS  50          2HG       LYS  50  -6.689   7.903   5.646
  399   2HG   LYS  50          1HG       LYS  50  -6.108   6.264   5.940
  400   1HD   LYS  50          2HD       LYS  50  -4.420   7.225   7.539
  401   2HD   LYS  50          1HD       LYS  50  -5.193   8.797   7.332
  402   1HE   LYS  50          2HE       LYS  50  -6.515   8.157   9.063
  403   2HE   LYS  50          1HE       LYS  50  -7.344   7.163   7.866
  404   1HZ   LYS  50          1HZ       LYS  50  -4.938   5.999   8.972
  405   2HZ   LYS  50          3HZ       LYS  50  -6.201   6.205  10.086
  406   3HZ   LYS  50          2HZ       LYS  50  -6.455   5.291   8.676
  407    H    GLU  51           H        GLU  51  -5.001   9.495   2.519
  408    HA   GLU  51           HA       GLU  51  -7.609  10.519   3.014
  409   1HB   GLU  51          2HB       GLU  51  -5.616  11.249   0.845
  410   2HB   GLU  51          1HB       GLU  51  -7.038  12.204   1.264
  411   1HG   GLU  51          2HG       GLU  51  -6.182  12.420   3.587
  412   2HG   GLU  51          1HG       GLU  51  -4.740  11.517   3.122
  413    H    ALA  52           H        ALA  52  -6.299   8.637   0.326
  414    HA   ALA  52           HA       ALA  52  -8.508   8.965  -1.463
  415   1HB   ALA  52          1HB       ALA  52  -7.263   6.318  -1.559
  416   2HB   ALA  52          3HB       ALA  52  -7.301   7.583  -2.788
  417   3HB   ALA  52          2HB       ALA  52  -6.075   7.621  -1.520
  418    H    LYS  53           H        LYS  53  -8.030   6.968   1.369
  419    HA   LYS  53           HA       LYS  53 -10.065   5.027   0.906
  420   1HB   LYS  53          2HB       LYS  53  -8.385   4.914   2.754
  421   2HB   LYS  53          1HB       LYS  53  -9.233   6.232   3.563
  422   1HG   LYS  53          2HG       LYS  53 -11.303   4.839   3.579
  423   2HG   LYS  53          1HG       LYS  53 -10.384   3.512   2.869
  424   1HD   LYS  53          2HD       LYS  53  -8.816   3.645   4.836
  425   2HD   LYS  53          1HD       LYS  53  -9.910   4.822   5.562
  426   1HE   LYS  53          2HE       LYS  53 -10.884   2.975   6.483
  427   2HE   LYS  53          1HE       LYS  53 -11.664   2.841   4.907
  428   1HZ   LYS  53          2HZ       LYS  53  -9.340   1.639   4.422
  429   2HZ   LYS  53          1HZ       LYS  53  -9.536   1.245   6.063
  430   3HZ   LYS  53          3HZ       LYS  53 -10.732   0.812   4.940
  431    H    SER  54           H        SER  54 -10.204   8.346   2.098
  432    HA   SER  54           HA       SER  54 -12.899   8.292   3.053
  433   1HB   SER  54          2HB       SER  54 -11.437  10.636   1.799
  434   2HB   SER  54          1HB       SER  54 -12.814  10.719   2.898
  435    HG   SER  54           HG       SER  54 -10.149  10.252   3.418
  436    H    GLN  55           H        GLN  55 -11.538   8.483  -0.162
  437    HA   GLN  55           HA       GLN  55 -14.240   8.181  -1.295
  438   1HB   GLN  55          2HB       GLN  55 -12.441  10.515  -2.017
  439   2HB   GLN  55          1HB       GLN  55 -13.900  10.062  -2.899
  440   1HG   GLN  55          2HG       GLN  55 -15.243  10.393  -0.855
  441   2HG   GLN  55          1HG       GLN  55 -13.785  10.838   0.033
  442   1HE2  GLN  55          1HE2      GLN  55 -15.909  12.704  -0.181
  443   2HE2  GLN  55          2HE2      GLN  55 -15.426  13.982  -1.188

  No H/Q in entry =         443
  Start of MODEL   27
    1    H1   LYS   1          2H        LYS   1   0.047   4.454   9.581
    2    H2   LYS   1          1H        LYS   1  -0.313   4.177  11.218
    3    H3   LYS   1          3H        LYS   1   0.939   5.241  10.794
    4    HA   LYS   1           HA       LYS   1   2.247   3.451   9.900
    5   1HB   LYS   1          2HB       LYS   1   1.103   2.906  12.656
    6   2HB   LYS   1          1HB       LYS   1   2.563   2.149  12.019
    7   1HG   LYS   1          2HG       LYS   1   3.537   4.430  11.679
    8   2HG   LYS   1          1HG       LYS   1   2.112   5.116  12.459
    9   1HD   LYS   1          2HD       LYS   1   2.612   3.729  14.481
   10   2HD   LYS   1          1HD       LYS   1   4.098   3.188  13.700
   11   1HE   LYS   1          2HE       LYS   1   3.866   6.080  13.589
   12   2HE   LYS   1          1HE       LYS   1   3.767   5.506  15.254
   13   1HZ   LYS   1          3HZ       LYS   1   5.765   4.028  14.073
   14   2HZ   LYS   1          2HZ       LYS   1   6.017   5.617  13.528
   15   3HZ   LYS   1          1HZ       LYS   1   5.957   5.286  15.193
   16    H    ASN   2           H        ASN   2   0.363   2.718   8.290
   17    HA   ASN   2           HA       ASN   2  -1.377   0.596   8.862
   18   1HB   ASN   2          2HB       ASN   2   0.257   1.059   6.348
   19   2HB   ASN   2          1HB       ASN   2  -1.119  -0.039   6.463
   20   1HD2  ASN   2          1HD2      ASN   2  -1.143   2.231   4.694
   21   2HD2  ASN   2          2HD2      ASN   2  -2.310   3.327   5.256
   22    H    GLU   3           H        GLU   3   2.102   0.485   8.162
   23    HA   GLU   3           HA       GLU   3   2.432  -2.306   7.937
   24   1HB   GLU   3          2HB       GLU   3   4.269  -0.266   9.230
   25   2HB   GLU   3          1HB       GLU   3   4.744  -1.908   8.796
   26   1HG   GLU   3          2HG       GLU   3   3.728   0.212   6.878
   27   2HG   GLU   3          1HG       GLU   3   5.399  -0.333   7.024
   28    H    ASP   4           H        ASP   4   1.863  -0.316  10.773
   29    HA   ASP   4           HA       ASP   4   1.613  -0.899  13.038
   30   1HB   ASP   4          2HB       ASP   4   0.614  -3.464  11.760
   31   2HB   ASP   4          1HB       ASP   4   0.273  -2.929  13.406
   32    H    GLN   5           H        GLN   5   4.236  -1.301  12.076
   33    HA   GLN   5           HA       GLN   5   5.305  -3.894  12.564
   34   1HB   GLN   5          2HB       GLN   5   6.582  -1.166  12.933
   35   2HB   GLN   5          1HB       GLN   5   7.464  -2.693  12.929
   36   1HG   GLN   5          2HG       GLN   5   6.714  -3.151  10.643
   37   2HG   GLN   5          1HG       GLN   5   5.747  -1.676  10.643
   38   1HE2  GLN   5          1HE2      GLN   5   7.773  -1.990   8.696
   39   2HE2  GLN   5          2HE2      GLN   5   9.041  -0.912   9.028
   40    H    GLU   6           H        GLU   6   4.380  -1.301  14.743
   41    HA   GLU   6           HA       GLU   6   5.756  -2.182  17.076
   42   1HB   GLU   6          2HB       GLU   6   3.109  -0.741  16.755
   43   2HB   GLU   6          1HB       GLU   6   3.905  -0.988  18.310
   44   1HG   GLU   6          2HG       GLU   6   5.934   0.165  17.384
   45   2HG   GLU   6          1HG       GLU   6   5.011   0.524  15.925
   46    H    MET   7           H        MET   7   2.315  -2.749  16.230
   47    HA   MET   7           HA       MET   7   1.611  -4.554  18.196
   48   1HB   MET   7          2HB       MET   7   0.955  -4.926  15.260
   49   2HB   MET   7          1HB       MET   7   0.025  -5.531  16.630
   50   1HG   MET   7          2HG       MET   7   0.471  -2.636  15.861
   51   2HG   MET   7          1HG       MET   7  -1.054  -3.521  15.843
   52   1HE   MET   7          3HE       MET   7  -1.260  -5.189  18.196
   53   2HE   MET   7          2HE       MET   7  -1.915  -4.167  19.473
   54   3HE   MET   7          1HE       MET   7  -2.527  -4.010  17.829
   55    H    CYS   8           H        CYS   8   3.665  -5.180  15.399
   56    HA   CYS   8           HA       CYS   8   3.753  -8.016  15.589
   57   1HB   CYS   8          2HB       CYS   8   4.667  -6.773  13.664
   58   2HB   CYS   8          1HB       CYS   8   5.939  -6.115  14.693
   59    H    HIS   9           H        HIS   9   5.277  -5.541  17.523
   60    HA   HIS   9           HA       HIS   9   7.418  -7.008  18.638
   61   1HB   HIS   9          2HB       HIS   9   7.489  -5.376  20.320
   62   2HB   HIS   9          1HB       HIS   9   6.673  -4.522  19.012
   63    HD1  HIS   9           HD1      HIS   9   6.369  -4.805  22.465
   64    HD2  HIS   9           HD2      HIS   9   3.600  -5.271  19.385
   65    HE1  HIS   9           HE1      HIS   9   4.080  -4.517  23.509
   66    H    GLU  10           H        GLU  10   3.969  -7.170  19.258
   67    HA   GLU  10           HA       GLU  10   4.224  -8.812  21.650
   68   1HB   GLU  10          2HB       GLU  10   2.234  -7.392  21.224
   69   2HB   GLU  10          1HB       GLU  10   1.840  -8.387  19.822
   70   1HG   GLU  10          2HG       GLU  10   1.776 -10.384  21.371
   71   2HG   GLU  10          1HG       GLU  10   1.930  -9.261  22.722
   72    H    PHE  11           H        PHE  11   3.963  -9.396  18.191
   73    HA   PHE  11           HA       PHE  11   3.559 -12.291  18.636
   74   1HB   PHE  11          2HB       PHE  11   3.261 -10.424  16.387
   75   2HB   PHE  11          1HB       PHE  11   4.021 -11.947  15.929
   76    HD1  PHE  11           HD1      PHE  11   2.722 -13.786  17.918
   77    HD2  PHE  11           HD2      PHE  11   1.076 -10.651  15.484
   78    HE1  PHE  11           HE1      PHE  11   0.509 -14.901  17.976
   79    HE2  PHE  11           HE2      PHE  11  -1.136 -11.766  15.545
   80    HZ   PHE  11           HZ       PHE  11  -1.420 -13.891  16.790
   81    H    GLN  12           H        GLN  12   6.148 -10.250  18.749
   82    HA   GLN  12           HA       GLN  12   8.108 -11.613  17.153
   83   1HB   GLN  12          2HB       GLN  12   8.269  -9.804  19.563
   84   2HB   GLN  12          1HB       GLN  12   9.717 -10.538  18.877
   85   1HG   GLN  12          2HG       GLN  12   9.112  -9.568  16.658
   86   2HG   GLN  12          1HG       GLN  12   7.738  -8.764  17.416
   87   1HE2  GLN  12          1HE2      GLN  12   9.408  -6.971  16.328
   88   2HE2  GLN  12          2HE2      GLN  12  10.426  -6.246  17.476
   89    H    ALA  13           H        ALA  13   6.887 -12.115  20.428
   90    HA   ALA  13           HA       ALA  13   8.899 -14.060  21.169
   91   1HB   ALA  13          3HB       ALA  13   7.903 -13.410  23.110
   92   2HB   ALA  13          1HB       ALA  13   6.733 -14.674  22.731
   93   3HB   ALA  13          2HB       ALA  13   6.390 -12.997  22.305
   94    H    PHE  14           H        PHE  14   5.915 -14.177  19.366
   95    HA   PHE  14           HA       PHE  14   5.781 -17.123  19.524
   96   1HB   PHE  14          2HB       PHE  14   4.094 -15.087  18.039
   97   2HB   PHE  14          1HB       PHE  14   3.798 -16.825  18.017
   98    HD1  PHE  14           HD1      PHE  14   3.270 -18.025  20.165
   99    HD2  PHE  14           HD2      PHE  14   3.464 -13.742  19.912
  100    HE1  PHE  14           HE1      PHE  14   2.034 -17.843  22.307
  101    HE2  PHE  14           HE2      PHE  14   2.227 -13.559  22.053
  102    HZ   PHE  14           HZ       PHE  14   1.512 -15.609  23.251
  103    H    MET  15           H        MET  15   7.579 -14.936  17.791
  104    HA   MET  15           HA       MET  15   7.419 -16.220  15.167
  105   1HB   MET  15          2HB       MET  15   8.099 -13.769  15.704
  106   2HB   MET  15          1HB       MET  15   9.677 -14.450  16.100
  107   1HG   MET  15          2HG       MET  15   8.271 -14.992  13.474
  108   2HG   MET  15          1HG       MET  15   9.397 -13.654  13.694
  109   1HE   MET  15          3HE       MET  15  11.618 -13.781  14.537
  110   2HE   MET  15          2HE       MET  15  11.620 -15.035  15.774
  111   3HE   MET  15          1HE       MET  15  12.740 -15.142  14.419
  112    H    LYS  16           H        LYS  16   8.603 -17.966  14.520
  113    HA   LYS  16           HA       LYS  16  11.024 -18.701  16.099
  114   1HB   LYS  16          2HB       LYS  16   8.776 -20.582  15.314
  115   2HB   LYS  16          1HB       LYS  16  10.312 -21.085  16.020
  116   1HG   LYS  16          2HG       LYS  16   9.818 -19.617  17.994
  117   2HG   LYS  16          1HG       LYS  16   8.228 -19.294  17.302
  118   1HD   LYS  16          2HD       LYS  16   7.734 -21.722  17.334
  119   2HD   LYS  16          1HD       LYS  16   9.313 -22.026  18.058
  120   1HE   LYS  16          2HE       LYS  16   8.016 -21.917  19.974
  121   2HE   LYS  16          1HE       LYS  16   8.460 -20.218  19.816
  122   1HZ   LYS  16          2HZ       LYS  16   6.058 -21.214  18.449
  123   2HZ   LYS  16          1HZ       LYS  16   5.988 -20.891  20.115
  124   3HZ   LYS  16          3HZ       LYS  16   6.399 -19.654  19.030
  125    H    ASN  17           H        ASN  17  12.604 -19.836  14.867
  126    HA   ASN  17           HA       ASN  17  13.832 -20.110  12.873
  127   1HB   ASN  17          2HB       ASN  17  11.178 -21.344  12.075
  128   2HB   ASN  17          1HB       ASN  17  12.717 -21.616  11.259
  129   1HD2  ASN  17          1HD2      ASN  17  11.175 -23.727  12.556
  130   2HD2  ASN  17          2HD2      ASN  17  12.110 -24.317  13.843
  131    H    GLY  18           H        GLY  18  12.169 -17.601  13.137
  132   1HA   GLY  18          1HA       GLY  18  12.528 -16.701  10.382
  133   2HA   GLY  18          2HA       GLY  18  11.973 -15.709  11.730
  134    H    LYS  19           H        LYS  19   9.880 -17.768  12.384
  135    HA   LYS  19           HA       LYS  19   7.949 -16.983  10.244
  136   1HB   LYS  19          2HB       LYS  19   8.730 -19.442  10.180
  137   2HB   LYS  19          1HB       LYS  19   7.826 -19.638  11.681
  138   1HG   LYS  19          2HG       LYS  19   6.094 -18.243   9.964
  139   2HG   LYS  19          1HG       LYS  19   6.838 -19.482   8.954
  140   1HD   LYS  19          2HD       LYS  19   6.330 -21.009  11.078
  141   2HD   LYS  19          1HD       LYS  19   5.085 -19.791  11.357
  142   1HE   LYS  19          2HE       LYS  19   4.112 -21.547  10.006
  143   2HE   LYS  19          1HE       LYS  19   4.329 -20.133   8.975
  144   1HZ   LYS  19          2HZ       LYS  19   6.307 -22.334   9.174
  145   2HZ   LYS  19          1HZ       LYS  19   5.091 -22.272   7.989
  146   3HZ   LYS  19          3HZ       LYS  19   6.282 -21.066   8.044
  147    H    LEU  20           H        LEU  20   5.912 -16.373  11.025
  148    HA   LEU  20           HA       LEU  20   5.754 -16.015  13.967
  149   1HB   LEU  20          2HB       LEU  20   5.344 -14.020  12.631
  150   2HB   LEU  20          1HB       LEU  20   4.104 -14.861  11.699
  151    HG   LEU  20           HG       LEU  20   2.777 -15.169  13.771
  152   1HD1  LEU  20          1HD1      LEU  20   4.783 -15.128  15.295
  153   2HD1  LEU  20          3HD1      LEU  20   4.859 -13.382  15.060
  154   3HD1  LEU  20          2HD1      LEU  20   3.453 -14.107  15.839
  155   1HD2  LEU  20          3HD2      LEU  20   3.630 -12.384  12.973
  156   2HD2  LEU  20          2HD2      LEU  20   2.157 -13.247  12.529
  157   3HD2  LEU  20          1HD2      LEU  20   2.368 -12.651  14.175
  158    H    PHE  21           H        PHE  21   4.814 -17.723  14.993
  159    HA   PHE  21           HA       PHE  21   2.729 -19.297  13.611
  160   1HB   PHE  21          2HB       PHE  21   4.094 -19.624  16.298
  161   2HB   PHE  21          1HB       PHE  21   2.847 -20.713  15.690
  162    HD1  PHE  21           HD1      PHE  21   6.189 -19.265  14.845
  163    HD2  PHE  21           HD2      PHE  21   3.397 -22.467  14.214
  164    HE1  PHE  21           HE1      PHE  21   7.901 -20.501  13.545
  165    HE2  PHE  21           HE2      PHE  21   5.109 -23.704  12.914
  166    HZ   PHE  21           HZ       PHE  21   7.361 -22.721  12.580
  167    H    CYS  22           H        CYS  22   0.701 -18.449  13.709
  168    HA   CYS  22           HA       CYS  22  -0.098 -16.730  15.950
  169   1HB   CYS  22          2HB       CYS  22  -1.894 -17.790  13.761
  170   2HB   CYS  22          1HB       CYS  22  -2.086 -16.313  14.706
  171    HA   PRO  23           HA       PRO  23  -1.543 -20.262  18.324
  172   1HB   PRO  23          2HB       PRO  23  -2.616 -18.832  20.350
  173   2HB   PRO  23          1HB       PRO  23  -0.880 -19.105  20.181
  174   1HG   PRO  23          2HG       PRO  23  -2.507 -16.707  19.418
  175   2HG   PRO  23          1HG       PRO  23  -0.940 -16.772  20.231
  176   1HD   PRO  23          2HD       PRO  23  -1.161 -16.233  17.594
  177   2HD   PRO  23          1HD       PRO  23   0.214 -17.119  18.255
  178    H    GLN  24           H        GLN  24  -3.795 -20.466  19.695
  179    HA   GLN  24           HA       GLN  24  -5.863 -20.799  17.828
  180   1HB   GLN  24          2HB       GLN  24  -6.088 -20.258  20.805
  181   2HB   GLN  24          1HB       GLN  24  -7.389 -20.888  19.795
  182   1HG   GLN  24          2HG       GLN  24  -6.037 -22.855  19.236
  183   2HG   GLN  24          1HG       GLN  24  -4.686 -22.215  20.171
  184   1HE2  GLN  24          1HE2      GLN  24  -5.802 -24.733  20.862
  185   2HE2  GLN  24          2HE2      GLN  24  -6.611 -24.591  22.347
  186    H    ASP  25           H        ASP  25  -4.934 -17.936  19.636
  187    HA   ASP  25           HA       ASP  25  -5.661 -15.714  19.449
  188   1HB   ASP  25          2HB       ASP  25  -6.741 -16.846  16.856
  189   2HB   ASP  25          1HB       ASP  25  -6.841 -15.137  17.280
  190    H    LYS  26           H        LYS  26  -7.185 -17.258  21.145
  191    HA   LYS  26           HA       LYS  26  -9.947 -17.471  20.624
  192   1HB   LYS  26          2HB       LYS  26  -8.509 -16.800  23.207
  193   2HB   LYS  26          1HB       LYS  26 -10.224 -17.202  23.113
  194   1HG   LYS  26          2HG       LYS  26  -9.581 -19.367  22.002
  195   2HG   LYS  26          1HG       LYS  26  -7.892 -18.970  22.319
  196   1HD   LYS  26          2HD       LYS  26  -8.503 -18.754  24.766
  197   2HD   LYS  26          1HD       LYS  26 -10.089 -19.410  24.359
  198   1HE   LYS  26          2HE       LYS  26  -8.861 -21.318  25.002
  199   2HE   LYS  26          1HE       LYS  26  -8.756 -21.343  23.241
  200   1HZ   LYS  26          3HZ       LYS  26  -6.711 -19.959  24.853
  201   2HZ   LYS  26          2HZ       LYS  26  -6.620 -21.636  24.598
  202   3HZ   LYS  26          1HZ       LYS  26  -6.590 -20.569  23.276
  203    H    LYS  27           H        LYS  27  -8.005 -14.655  21.415
  204    HA   LYS  27           HA       LYS  27 -10.471 -12.982  21.138
  205   1HB   LYS  27          2HB       LYS  27  -9.301 -13.045  23.444
  206   2HB   LYS  27          1HB       LYS  27  -8.011 -12.128  22.666
  207   1HG   LYS  27          2HG       LYS  27 -10.006 -10.610  21.836
  208   2HG   LYS  27          1HG       LYS  27 -10.849 -11.319  23.214
  209   1HD   LYS  27          2HD       LYS  27  -8.122 -10.452  23.860
  210   2HD   LYS  27          1HD       LYS  27  -9.159  -9.128  23.328
  211   1HE   LYS  27          2HE       LYS  27 -10.896  -9.957  24.972
  212   2HE   LYS  27          1HE       LYS  27  -9.679 -11.072  25.594
  213   1HZ   LYS  27          2HZ       LYS  27  -9.323  -8.129  25.431
  214   2HZ   LYS  27          1HZ       LYS  27  -9.811  -8.956  26.833
  215   3HZ   LYS  27          3HZ       LYS  27  -8.277  -9.245  26.171
  216    HA   PRO  28           HA       PRO  28  -7.700 -11.940  17.589
  217   1HB   PRO  28          2HB       PRO  28  -9.731 -11.267  15.935
  218   2HB   PRO  28          1HB       PRO  28  -9.182 -12.930  16.156
  219   1HG   PRO  28          2HG       PRO  28 -11.516 -11.522  17.399
  220   2HG   PRO  28          1HG       PRO  28 -11.436 -13.150  16.719
  221   1HD   PRO  28          1HD       PRO  28 -11.321 -12.705  19.380
  222   2HD   PRO  28          2HD       PRO  28 -10.444 -14.031  18.616
  223    H    ILE  29           H        ILE  29  -7.426  -9.848  16.470
  224    HA   ILE  29           HA       ILE  29  -8.684  -7.607  17.996
  225    HB   ILE  29           HB       ILE  29  -6.648  -6.713  18.407
  226   1HG1  ILE  29          1HG1      ILE  29  -6.655  -5.876  16.030
  227   2HG1  ILE  29          2HG1      ILE  29  -5.043  -6.153  16.688
  228   1HG2  ILE  29          2HG2      ILE  29  -5.801  -9.367  17.248
  229   2HG2  ILE  29          1HG2      ILE  29  -4.628  -8.227  17.907
  230   3HG2  ILE  29          3HG2      ILE  29  -5.895  -8.887  18.943
  231   1HD1  ILE  29          1HD1      ILE  29  -5.501  -8.592  15.631
  232   2HD1  ILE  29          3HD1      ILE  29  -6.497  -7.624  14.545
  233   3HD1  ILE  29          2HD1      ILE  29  -4.775  -7.281  14.705
  234    H    GLN  30           H        GLN  30  -8.794  -5.540  16.687
  235    HA   GLN  30           HA       GLN  30  -9.889  -6.165  14.033
  236   1HB   GLN  30          2HB       GLN  30  -9.631  -3.566  15.579
  237   2HB   GLN  30          1HB       GLN  30 -10.409  -3.703  14.002
  238   1HG   GLN  30          2HG       GLN  30 -11.993  -5.363  14.945
  239   2HG   GLN  30          1HG       GLN  30 -11.229  -5.179  16.524
  240   1HE2  GLN  30          1HE2      GLN  30 -13.942  -4.556  16.346
  241   2HE2  GLN  30          2HE2      GLN  30 -14.163  -2.875  16.437
  242    H    SER  31           H        SER  31  -8.818  -5.775  12.101
  243    HA   SER  31           HA       SER  31  -5.985  -5.119  12.287
  244   1HB   SER  31          2HB       SER  31  -6.916  -6.811  10.674
  245   2HB   SER  31          1HB       SER  31  -7.653  -5.477   9.789
  246    HG   SER  31           HG       SER  31  -5.445  -6.276   9.166
  247    H    LEU  32           H        LEU  32  -4.980  -3.465  10.941
  248    HA   LEU  32           HA       LEU  32  -6.637  -0.983  10.847
  249   1HB   LEU  32          2HB       LEU  32  -3.617  -1.291  10.939
  250   2HB   LEU  32          1HB       LEU  32  -4.503   0.233  10.987
  251    HG   LEU  32           HG       LEU  32  -5.668  -0.650  13.072
  252   1HD1  LEU  32          3HD1      LEU  32  -3.704  -2.841  12.517
  253   2HD1  LEU  32          2HD1      LEU  32  -4.031  -2.416  14.198
  254   3HD1  LEU  32          1HD1      LEU  32  -5.347  -2.945  13.150
  255   1HD2  LEU  32          1HD2      LEU  32  -3.558   0.888  12.904
  256   2HD2  LEU  32          3HD2      LEU  32  -3.971   0.179  14.466
  257   3HD2  LEU  32          2HD2      LEU  32  -2.688  -0.533  13.486
  258    H    ASP  33           H        ASP  33  -5.052  -3.340   8.963
  259    HA   ASP  33           HA       ASP  33  -4.349  -1.704   6.688
  260   1HB   ASP  33          2HB       ASP  33  -4.949  -4.674   6.857
  261   2HB   ASP  33          1HB       ASP  33  -4.183  -3.862   5.492
  262    H    GLY  34           H        GLY  34  -7.312  -2.627   8.007
  263   1HA   GLY  34          1HA       GLY  34  -8.683  -2.001   5.434
  264   2HA   GLY  34          2HA       GLY  34  -9.370  -1.715   7.033
  265    H    ILE  35           H        ILE  35  -8.258  -4.420   7.897
  266    HA   ILE  35           HA       ILE  35 -10.388  -6.072   6.586
  267    HB   ILE  35           HB       ILE  35  -8.911  -8.036   6.895
  268   1HG1  ILE  35          1HG1      ILE  35  -7.074  -5.923   8.033
  269   2HG1  ILE  35          2HG1      ILE  35  -7.574  -7.445   8.768
  270   1HG2  ILE  35          1HG2      ILE  35  -8.876  -6.546   4.814
  271   2HG2  ILE  35          3HG2      ILE  35  -7.393  -5.846   5.463
  272   3HG2  ILE  35          2HG2      ILE  35  -7.456  -7.562   5.061
  273   1HD1  ILE  35          2HD1      ILE  35  -6.406  -8.348   6.472
  274   2HD1  ILE  35          1HD1      ILE  35  -5.432  -6.915   6.797
  275   3HD1  ILE  35          3HD1      ILE  35  -5.555  -8.190   8.009
  276    H    MET  36           H        MET  36 -11.132  -7.896   8.013
  277    HA   MET  36           HA       MET  36 -11.205  -6.986  10.856
  278   1HB   MET  36          2HB       MET  36 -13.054  -8.796   9.270
  279   2HB   MET  36          1HB       MET  36 -13.211  -8.507  11.002
  280   1HG   MET  36          2HG       MET  36 -13.381  -6.050  10.513
  281   2HG   MET  36          1HG       MET  36 -13.391  -6.437   8.793
  282   1HE   MET  36          1HE       MET  36 -14.616  -7.072  12.118
  283   2HE   MET  36          3HE       MET  36 -16.379  -6.953  12.053
  284   3HE   MET  36          2HE       MET  36 -15.588  -8.509  11.812
  285    H    PHE  37           H        PHE  37  -8.873  -8.207  10.175
  286    HA   PHE  37           HA       PHE  37  -9.161 -10.950  11.339
  287   1HB   PHE  37          2HB       PHE  37  -8.595 -11.211   9.013
  288   2HB   PHE  37          1HB       PHE  37  -7.358  -9.960   9.122
  289    HD1  PHE  37           HD1      PHE  37  -5.293 -10.363  10.497
  290    HD2  PHE  37           HD2      PHE  37  -8.138 -13.471   9.657
  291    HE1  PHE  37           HE1      PHE  37  -3.611 -12.073  11.123
  292    HE2  PHE  37           HE2      PHE  37  -6.453 -15.182  10.281
  293    HZ   PHE  37           HZ       PHE  37  -4.190 -14.482  11.014
  294    H    ILE  38           H        ILE  38  -7.199 -11.666  12.523
  295    HA   ILE  38           HA       ILE  38  -6.219  -9.676  14.320
  296    HB   ILE  38           HB       ILE  38  -4.947 -12.351  13.674
  297   1HG1  ILE  38          2HG1      ILE  38  -7.017 -11.725  15.795
  298   2HG1  ILE  38          1HG1      ILE  38  -7.416 -12.440  14.232
  299   1HG2  ILE  38          2HG2      ILE  38  -4.286 -10.226  15.483
  300   2HG2  ILE  38          1HG2      ILE  38  -4.813 -11.622  16.424
  301   3HG2  ILE  38          3HG2      ILE  38  -3.480 -11.782  15.282
  302   1HD1  ILE  38          1HD1      ILE  38  -5.430 -14.102  14.948
  303   2HD1  ILE  38          3HD1      ILE  38  -5.982 -13.635  16.556
  304   3HD1  ILE  38          2HD1      ILE  38  -7.105 -14.385  15.422
  305    H    ASN  39           H        ASN  39  -5.506  -8.044  12.717
  306    HA   ASN  39           HA       ASN  39  -3.537  -8.354  10.764
  307   1HB   ASN  39          2HB       ASN  39  -4.851  -6.245  11.543
  308   2HB   ASN  39          1HB       ASN  39  -3.463  -5.969  12.588
  309   1HD2  ASN  39          1HD2      ASN  39  -3.160  -3.990  11.120
  310   2HD2  ASN  39          2HD2      ASN  39  -2.325  -4.205   9.658
  311    H    LYS  40           H        LYS  40  -3.106  -8.176  14.273
  312    HA   LYS  40           HA       LYS  40  -0.396  -7.641  14.482
  313   1HB   LYS  40          2HB       LYS  40  -1.929  -9.800  15.962
  314   2HB   LYS  40          1HB       LYS  40  -0.352  -9.177  16.447
  315   1HG   LYS  40          2HG       LYS  40  -1.425  -6.863  16.483
  316   2HG   LYS  40          1HG       LYS  40  -2.980  -7.682  16.332
  317   1HD   LYS  40          2HD       LYS  40  -2.475  -8.988  18.379
  318   2HD   LYS  40          1HD       LYS  40  -0.940  -8.133  18.535
  319   1HE   LYS  40          2HE       LYS  40  -1.948  -6.357  19.493
  320   2HE   LYS  40          1HE       LYS  40  -3.146  -6.270  18.201
  321   1HZ   LYS  40          1HZ       LYS  40  -3.861  -8.487  19.598
  322   2HZ   LYS  40          3HZ       LYS  40  -3.364  -7.417  20.818
  323   3HZ   LYS  40          2HZ       LYS  40  -4.586  -6.956  19.731
  324    H    CYS  41           H        CYS  41  -1.878 -10.726  13.573
  325    HA   CYS  41           HA       CYS  41   0.764 -11.932  13.087
  326   1HB   CYS  41          2HB       CYS  41  -1.960 -12.871  13.400
  327   2HB   CYS  41          1HB       CYS  41  -1.252 -13.527  11.925
  328    H    ALA  42           H        ALA  42  -1.701 -10.208  11.376
  329    HA   ALA  42           HA       ALA  42  -0.857 -11.068   8.714
  330   1HB   ALA  42          1HB       ALA  42  -2.741 -10.031   8.025
  331   2HB   ALA  42          2HB       ALA  42  -2.324  -8.541   8.870
  332   3HB   ALA  42          3HB       ALA  42  -3.122  -9.853   9.737
  333    H    THR  43           H        THR  43   0.006  -8.524  10.970
  334    HA   THR  43           HA       THR  43   1.625  -7.218   8.825
  335    HB   THR  43           HB       THR  43   1.879  -5.452  10.753
  336    HG1  THR  43           HG1      THR  43   0.939  -6.382  12.439
  337   1HG2  THR  43          2HG2      THR  43  -0.443  -5.995   8.946
  338   2HG2  THR  43          1HG2      THR  43  -0.584  -4.679  10.111
  339   3HG2  THR  43          3HG2      THR  43   0.711  -4.662   8.915
  340    H    CYS  44           H        CYS  44   1.791  -8.750  11.995
  341    HA   CYS  44           HA       CYS  44   4.601  -8.228  12.420
  342   1HB   CYS  44          2HB       CYS  44   2.934  -8.882  14.208
  343   2HB   CYS  44          1HB       CYS  44   2.955 -10.512  13.542
  344    H    LYS  45           H        LYS  45   2.761 -10.754  10.798
  345    HA   LYS  45           HA       LYS  45   5.056 -12.519  10.460
  346   1HB   LYS  45          2HB       LYS  45   2.702 -13.343  10.463
  347   2HB   LYS  45          1HB       LYS  45   2.421 -12.471   8.956
  348   1HG   LYS  45          2HG       LYS  45   4.312 -13.780   7.932
  349   2HG   LYS  45          1HG       LYS  45   4.385 -14.735   9.413
  350   1HD   LYS  45          2HD       LYS  45   1.958 -15.304   9.086
  351   2HD   LYS  45          1HD       LYS  45   2.026 -14.487   7.524
  352   1HE   LYS  45          2HE       LYS  45   4.223 -16.378   7.863
  353   2HE   LYS  45          1HE       LYS  45   2.650 -17.163   8.006
  354   1HZ   LYS  45          2HZ       LYS  45   2.749 -15.260   5.869
  355   2HZ   LYS  45          1HZ       LYS  45   3.895 -16.500   5.680
  356   3HZ   LYS  45          3HZ       LYS  45   2.252 -16.884   5.850
  357    H    MET  46           H        MET  46   3.551  -9.916   8.635
  358    HA   MET  46           HA       MET  46   5.171 -10.450   6.244
  359   1HB   MET  46          2HB       MET  46   3.355  -8.138   6.992
  360   2HB   MET  46          1HB       MET  46   4.161  -8.305   5.432
  361   1HG   MET  46          2HG       MET  46   2.175 -10.256   6.639
  362   2HG   MET  46          1HG       MET  46   1.875  -9.173   5.279
  363   1HE   MET  46          2HE       MET  46   3.475  -8.924   3.467
  364   2HE   MET  46          1HE       MET  46   5.058  -9.637   3.763
  365   3HE   MET  46          3HE       MET  46   4.019 -10.281   2.485
  366    H    ILE  47           H        ILE  47   5.346  -8.505   9.133
  367    HA   ILE  47           HA       ILE  47   7.597  -6.913   8.049
  368    HB   ILE  47           HB       ILE  47   5.843  -5.841   9.485
  369   1HG1  ILE  47          1HG1      ILE  47   7.519  -4.785  11.092
  370   2HG1  ILE  47          2HG1      ILE  47   8.708  -5.923  10.459
  371   1HG2  ILE  47          1HG2      ILE  47   5.833  -8.044  10.959
  372   2HG2  ILE  47          3HG2      ILE  47   7.084  -7.185  11.859
  373   3HG2  ILE  47          2HG2      ILE  47   5.477  -6.478  11.688
  374   1HD1  ILE  47          3HD1      ILE  47   8.108  -5.063   8.136
  375   2HD1  ILE  47          2HD1      ILE  47   7.209  -3.776   8.939
  376   3HD1  ILE  47          1HD1      ILE  47   8.951  -3.913   9.173
  377    H    LEU  48           H        LEU  48   7.057  -9.819   9.749
  378    HA   LEU  48           HA       LEU  48   9.576  -9.783  11.243
  379   1HB   LEU  48          2HB       LEU  48   7.339 -11.725  10.826
  380   2HB   LEU  48          1HB       LEU  48   8.901 -12.361  11.340
  381    HG   LEU  48           HG       LEU  48   7.421 -10.106  12.729
  382   1HD1  LEU  48          1HD1      LEU  48   7.577 -13.076  13.249
  383   2HD1  LEU  48          3HD1      LEU  48   7.233 -11.933  14.547
  384   3HD1  LEU  48          2HD1      LEU  48   6.144 -12.052  13.165
  385   1HD2  LEU  48          1HD2      LEU  48  10.054 -11.477  13.105
  386   2HD2  LEU  48          3HD2      LEU  48   9.634  -9.779  13.330
  387   3HD2  LEU  48          2HD2      LEU  48   9.168 -10.971  14.543
  388    H    GLU  49           H        GLU  49   8.419 -10.932   8.131
  389    HA   GLU  49           HA       GLU  49  10.649 -12.659   7.551
  390   1HB   GLU  49          2HB       GLU  49   8.792 -11.146   5.689
  391   2HB   GLU  49          1HB       GLU  49   9.913 -12.409   5.183
  392   1HG   GLU  49          2HG       GLU  49   8.774 -14.037   6.609
  393   2HG   GLU  49          1HG       GLU  49   7.700 -12.780   7.224
  394    H    LYS  50           H        LYS  50  10.104  -9.198   7.253
  395    HA   LYS  50           HA       LYS  50  12.224  -8.525   5.500
  396   1HB   LYS  50          2HB       LYS  50  11.121  -7.001   7.880
  397   2HB   LYS  50          1HB       LYS  50  12.202  -6.311   6.669
  398   1HG   LYS  50          2HG       LYS  50  10.518  -6.972   4.909
  399   2HG   LYS  50          1HG       LYS  50   9.420  -7.427   6.212
  400   1HD   LYS  50          2HD       LYS  50   9.688  -5.080   7.126
  401   2HD   LYS  50          1HD       LYS  50  10.557  -4.675   5.645
  402   1HE   LYS  50          2HE       LYS  50   8.450  -5.719   4.464
  403   2HE   LYS  50          1HE       LYS  50   7.662  -5.395   6.008
  404   1HZ   LYS  50          2HZ       LYS  50   8.692  -3.078   5.753
  405   2HZ   LYS  50          1HZ       LYS  50   8.874  -3.487   4.114
  406   3HZ   LYS  50          3HZ       LYS  50   7.329  -3.459   4.813
  407    H    GLU  51           H        GLU  51  12.235  -9.218   8.972
  408    HA   GLU  51           HA       GLU  51  14.947  -8.416   9.459
  409   1HB   GLU  51          2HB       GLU  51  13.225 -10.485  10.858
  410   2HB   GLU  51          1HB       GLU  51  14.765  -9.882  11.471
  411   1HG   GLU  51          2HG       GLU  51  13.840  -7.577  11.466
  412   2HG   GLU  51          1HG       GLU  51  12.292  -8.215  10.913
  413    H    ALA  52           H        ALA  52  13.500 -11.369   8.200
  414    HA   ALA  52           HA       ALA  52  15.801 -13.056   8.454
  415   1HB   ALA  52          1HB       ALA  52  13.232 -13.115   7.024
  416   2HB   ALA  52          2HB       ALA  52  14.109 -14.426   7.812
  417   3HB   ALA  52          3HB       ALA  52  14.532 -13.945   6.169
  418    H    LYS  53           H        LYS  53  14.924 -10.559   6.161
  419    HA   LYS  53           HA       LYS  53  16.735 -11.268   4.062
  420   1HB   LYS  53          2HB       LYS  53  15.673  -8.563   4.933
  421   2HB   LYS  53          1HB       LYS  53  16.568  -8.842   3.439
  422   1HG   LYS  53          2HG       LYS  53  14.842 -10.539   2.787
  423   2HG   LYS  53          1HG       LYS  53  13.920 -10.095   4.223
  424   1HD   LYS  53          2HD       LYS  53  13.875  -7.729   3.395
  425   2HD   LYS  53          1HD       LYS  53  14.662  -8.273   1.914
  426   1HE   LYS  53          2HE       LYS  53  12.507 -10.037   2.286
  427   2HE   LYS  53          1HE       LYS  53  11.863  -8.441   2.667
  428   1HZ   LYS  53          1HZ       LYS  53  13.386  -8.014   0.458
  429   2HZ   LYS  53          3HZ       LYS  53  12.677  -9.522   0.142
  430   3HZ   LYS  53          2HZ       LYS  53  11.695  -8.177   0.480
  431    H    SER  54           H        SER  54  17.167  -9.539   7.102
  432    HA   SER  54           HA       SER  54  19.724  -8.399   6.572
  433   1HB   SER  54          2HB       SER  54  18.710  -9.460   9.225
  434   2HB   SER  54          1HB       SER  54  19.968  -8.248   8.988
  435    HG   SER  54           HG       SER  54  17.266  -7.976   8.974
  436    H    GLN  55           H        GLN  55  18.741 -11.663   7.378
  437    HA   GLN  55           HA       GLN  55  20.015 -13.614   7.736
  438   1HB   GLN  55          2HB       GLN  55  21.669 -12.181   5.634
  439   2HB   GLN  55          1HB       GLN  55  21.845 -13.883   6.060
  440   1HG   GLN  55          2HG       GLN  55  19.524 -14.314   5.397
  441   2HG   GLN  55          1HG       GLN  55  19.291 -12.604   5.037
  442   1HE2  GLN  55          1HE2      GLN  55  18.943 -14.590   3.007
  443   2HE2  GLN  55          2HE2      GLN  55  20.180 -14.410   1.859

  No H/Q in entry =         443
  Start of MODEL   28
    1    H1   LYS   1          3H        LYS   1  -1.901 -10.445  10.257
    2    H2   LYS   1          2H        LYS   1  -1.447 -10.622  11.885
    3    H3   LYS   1          1H        LYS   1  -3.085 -10.437  11.471
    4    HA   LYS   1           HA       LYS   1  -2.409  -8.353  12.290
    5   1HB   LYS   1          2HB       LYS   1  -0.039  -8.701  10.429
    6   2HB   LYS   1          1HB       LYS   1  -0.398  -7.223  11.321
    7   1HG   LYS   1          2HG       LYS   1  -0.310  -8.550  13.446
    8   2HG   LYS   1          1HG       LYS   1   0.202  -9.951  12.504
    9   1HD   LYS   1          2HD       LYS   1   2.143  -8.606  11.662
   10   2HD   LYS   1          1HD       LYS   1   1.660  -7.302  12.747
   11   1HE   LYS   1          2HE       LYS   1   1.686  -9.377  14.493
   12   2HE   LYS   1          1HE       LYS   1   2.937  -9.909  13.369
   13   1HZ   LYS   1          2HZ       LYS   1   3.679  -7.416  13.634
   14   2HZ   LYS   1          1HZ       LYS   1   2.887  -7.575  15.129
   15   3HZ   LYS   1          3HZ       LYS   1   4.173  -8.609  14.738
   16    H    ASN   2           H        ASN   2  -3.815  -9.608   9.850
   17    HA   ASN   2           HA       ASN   2  -3.705  -7.412   7.889
   18   1HB   ASN   2          2HB       ASN   2  -5.206  -8.751   6.570
   19   2HB   ASN   2          1HB       ASN   2  -4.013  -9.852   7.259
   20   1HD2  ASN   2          1HD2      ASN   2  -6.545 -10.858   6.476
   21   2HD2  ASN   2          2HD2      ASN   2  -7.425 -11.288   7.862
   22    H    GLU   3           H        GLU   3  -5.002  -7.558  10.842
   23    HA   GLU   3           HA       GLU   3  -7.755  -6.866  10.475
   24   1HB   GLU   3          2HB       GLU   3  -6.682  -7.525  12.658
   25   2HB   GLU   3          1HB       GLU   3  -5.924  -5.933  12.703
   26   1HG   GLU   3          2HG       GLU   3  -8.191  -4.894  12.566
   27   2HG   GLU   3          1HG       GLU   3  -8.903  -6.506  12.641
   28    H    ASP   4           H        ASP   4  -4.796  -5.035  10.158
   29    HA   ASP   4           HA       ASP   4  -5.864  -2.402  10.412
   30   1HB   ASP   4          2HB       ASP   4  -3.402  -3.097  10.237
   31   2HB   ASP   4          1HB       ASP   4  -3.659  -3.185   8.495
   32    H    GLN   5           H        GLN   5  -5.998  -4.742   7.809
   33    HA   GLN   5           HA       GLN   5  -6.672  -2.976   5.671
   34   1HB   GLN   5          2HB       GLN   5  -7.602  -5.830   6.117
   35   2HB   GLN   5          1HB       GLN   5  -7.618  -4.964   4.581
   36   1HG   GLN   5          2HG       GLN   5  -5.111  -4.656   4.856
   37   2HG   GLN   5          1HG       GLN   5  -5.200  -5.782   6.211
   38   1HE2  GLN   5          1HE2      GLN   5  -7.438  -7.305   4.790
   39   2HE2  GLN   5          2HE2      GLN   5  -6.642  -8.219   3.602
   40    H    GLU   6           H        GLU   6  -8.626  -4.436   8.232
   41    HA   GLU   6           HA       GLU   6 -11.191  -3.771   7.157
   42   1HB   GLU   6          2HB       GLU   6 -10.294  -4.039  10.043
   43   2HB   GLU   6          1HB       GLU   6 -11.976  -3.966   9.515
   44   1HG   GLU   6          2HG       GLU   6 -11.589  -5.981   8.104
   45   2HG   GLU   6          1HG       GLU   6  -9.941  -6.073   8.724
   46    H    MET   7           H        MET   7  -8.787  -1.881   8.876
   47    HA   MET   7           HA       MET   7 -10.502   0.307   9.613
   48   1HB   MET   7          2HB       MET   7  -7.520   0.226   9.064
   49   2HB   MET   7          1HB       MET   7  -8.367   1.590   9.793
   50   1HG   MET   7          2HG       MET   7  -9.134   0.120  11.628
   51   2HG   MET   7          1HG       MET   7  -8.253  -1.226  10.908
   52   1HE   MET   7          3HE       MET   7  -8.019  -0.480  13.727
   53   2HE   MET   7          2HE       MET   7  -6.784  -1.617  13.194
   54   3HE   MET   7          1HE       MET   7  -6.323  -0.214  14.154
   55    H    CYS   8           H        CYS   8  -8.985  -0.638   6.625
   56    HA   CYS   8           HA       CYS   8  -9.186   1.976   5.368
   57   1HB   CYS   8          2HB       CYS   8  -8.844  -0.793   4.183
   58   2HB   CYS   8          1HB       CYS   8  -8.705   0.714   3.275
   59    H    HIS   9           H        HIS   9 -11.318  -0.758   5.798
   60    HA   HIS   9           HA       HIS   9 -13.159  -0.503   3.737
   61   1HB   HIS   9          2HB       HIS   9 -13.663  -2.167   5.327
   62   2HB   HIS   9          1HB       HIS   9 -13.507  -1.052   6.682
   63    HD1  HIS   9           HD1      HIS   9 -15.403   0.993   6.576
   64    HD2  HIS   9           HD2      HIS   9 -16.305  -2.580   4.629
   65    HE1  HIS   9           HE1      HIS   9 -17.910   0.975   6.244
   66    H    GLU  10           H        GLU  10 -12.929   1.526   6.658
   67    HA   GLU  10           HA       GLU  10 -15.120   3.253   5.856
   68   1HB   GLU  10          2HB       GLU  10 -12.911   3.644   7.896
   69   2HB   GLU  10          1HB       GLU  10 -14.309   4.703   7.714
   70   1HG   GLU  10          2HG       GLU  10 -14.490   1.728   8.274
   71   2HG   GLU  10          1HG       GLU  10 -14.593   2.976   9.516
   72    H    PHE  11           H        PHE  11 -11.567   3.423   5.620
   73    HA   PHE  11           HA       PHE  11 -11.595   6.100   4.502
   74   1HB   PHE  11          2HB       PHE  11  -9.610   4.236   5.363
   75   2HB   PHE  11          1HB       PHE  11  -9.240   4.686   3.698
   76    HD1  PHE  11           HD1      PHE  11 -10.307   7.421   3.547
   77    HD2  PHE  11           HD2      PHE  11  -8.097   5.506   6.693
   78    HE1  PHE  11           HE1      PHE  11  -9.495   9.625   4.324
   79    HE2  PHE  11           HE2      PHE  11  -7.291   7.713   7.471
   80    HZ   PHE  11           HZ       PHE  11  -7.989   9.775   6.287
   81    H    GLN  12           H        GLN  12 -12.283   2.992   3.256
   82    HA   GLN  12           HA       GLN  12 -11.540   3.590   0.489
   83   1HB   GLN  12          2HB       GLN  12 -11.588   1.259   1.239
   84   2HB   GLN  12          1HB       GLN  12 -13.291   1.411   1.675
   85   1HG   GLN  12          2HG       GLN  12 -13.785   1.976  -0.724
   86   2HG   GLN  12          1HG       GLN  12 -12.100   1.623  -1.106
   87   1HE2  GLN  12          1HE2      GLN  12 -13.816   0.004  -2.432
   88   2HE2  GLN  12          2HE2      GLN  12 -13.915  -1.536  -1.724
   89    H    ALA  13           H        ALA  13 -14.476   3.682   2.471
   90    HA   ALA  13           HA       ALA  13 -16.276   4.285   0.306
   91   1HB   ALA  13          3HB       ALA  13 -17.888   4.498   1.939
   92   2HB   ALA  13          2HB       ALA  13 -16.676   3.630   2.882
   93   3HB   ALA  13          1HB       ALA  13 -16.818   5.382   3.026
   94    H    PHE  14           H        PHE  14 -13.963   6.144   2.094
   95    HA   PHE  14           HA       PHE  14 -15.135   8.738   1.406
   96   1HB   PHE  14          2HB       PHE  14 -12.354   8.081   2.426
   97   2HB   PHE  14          1HB       PHE  14 -13.109   9.674   2.406
   98    HD1  PHE  14           HD1      PHE  14 -15.943   8.538   3.107
   99    HD2  PHE  14           HD2      PHE  14 -12.048   8.059   4.855
  100    HE1  PHE  14           HE1      PHE  14 -16.987   8.070   5.307
  101    HE2  PHE  14           HE2      PHE  14 -13.093   7.592   7.055
  102    HZ   PHE  14           HZ       PHE  14 -15.562   7.597   7.281
  103    H    MET  15           H        MET  15 -13.756   6.452  -0.477
  104    HA   MET  15           HA       MET  15 -11.888   8.128  -1.977
  105   1HB   MET  15          2HB       MET  15 -12.615   5.338  -1.903
  106   2HB   MET  15          1HB       MET  15 -12.682   5.924  -3.564
  107   1HG   MET  15          2HG       MET  15 -10.387   7.053  -2.967
  108   2HG   MET  15          1HG       MET  15 -10.345   5.854  -1.674
  109   1HE   MET  15          1HE       MET  15 -11.508   6.341  -5.162
  110   2HE   MET  15          3HE       MET  15  -9.797   6.381  -5.608
  111   3HE   MET  15          2HE       MET  15 -10.819   5.049  -6.142
  112    H    LYS  16           H        LYS  16 -12.472   9.537  -3.563
  113    HA   LYS  16           HA       LYS  16 -15.107   9.110  -4.908
  114   1HB   LYS  16          2HB       LYS  16 -15.222  10.916  -3.155
  115   2HB   LYS  16          1HB       LYS  16 -14.009  11.808  -4.072
  116   1HG   LYS  16          2HG       LYS  16 -15.519  11.758  -6.055
  117   2HG   LYS  16          1HG       LYS  16 -16.744  10.956  -5.071
  118   1HD   LYS  16          2HD       LYS  16 -16.673  12.905  -3.495
  119   2HD   LYS  16          1HD       LYS  16 -15.571  13.715  -4.609
  120   1HE   LYS  16          2HE       LYS  16 -17.686  12.852  -6.225
  121   2HE   LYS  16          1HE       LYS  16 -18.467  13.440  -4.757
  122   1HZ   LYS  16          2HZ       LYS  16 -17.023  15.458  -4.980
  123   2HZ   LYS  16          1HZ       LYS  16 -16.599  14.905  -6.530
  124   3HZ   LYS  16          3HZ       LYS  16 -18.214  15.286  -6.179
  125    H    ASN  17           H        ASN  17 -15.084   9.472  -7.111
  126    HA   ASN  17           HA       ASN  17 -14.120   9.688  -9.242
  127   1HB   ASN  17          2HB       ASN  17 -12.695  11.979  -7.854
  128   2HB   ASN  17          1HB       ASN  17 -12.881  11.781  -9.597
  129   1HD2  ASN  17          1HD2      ASN  17 -15.633  10.821  -9.550
  130   2HD2  ASN  17          2HD2      ASN  17 -16.615  12.119  -9.068
  131    H    GLY  18           H        GLY  18 -12.779   7.852  -7.424
  132   1HA   GLY  18          1HA       GLY  18 -10.300   7.530  -8.886
  133   2HA   GLY  18          2HA       GLY  18 -10.826   6.539  -7.526
  134    H    LYS  19           H        LYS  19 -11.212   9.264  -6.080
  135    HA   LYS  19           HA       LYS  19  -8.327   9.670  -5.396
  136   1HB   LYS  19          2HB       LYS  19  -9.574  11.629  -6.439
  137   2HB   LYS  19          1HB       LYS  19 -10.575  11.653  -4.988
  138   1HG   LYS  19          2HG       LYS  19  -8.077  11.576  -3.888
  139   2HG   LYS  19          1HG       LYS  19  -7.764  12.499  -5.357
  140   1HD   LYS  19          2HD       LYS  19  -9.874  13.863  -4.685
  141   2HD   LYS  19          1HD       LYS  19  -9.642  13.150  -3.089
  142   1HE   LYS  19          2HE       LYS  19  -8.249  14.919  -2.750
  143   2HE   LYS  19          1HE       LYS  19  -7.097  13.965  -3.685
  144   1HZ   LYS  19          3HZ       LYS  19  -8.273  15.068  -5.688
  145   2HZ   LYS  19          2HZ       LYS  19  -8.768  16.227  -4.548
  146   3HZ   LYS  19          1HZ       LYS  19  -7.114  15.947  -4.817
  147    H    LEU  20           H        LEU  20  -7.833   9.858  -3.134
  148    HA   LEU  20           HA       LEU  20  -9.876   8.577  -1.398
  149   1HB   LEU  20          2HB       LEU  20  -7.739   7.486  -1.287
  150   2HB   LEU  20          1HB       LEU  20  -6.895   9.021  -1.085
  151    HG   LEU  20           HG       LEU  20  -8.212   9.327   1.073
  152   1HD1  LEU  20          1HD1      LEU  20  -9.618   7.135   0.091
  153   2HD1  LEU  20          3HD1      LEU  20  -8.624   6.456   1.381
  154   3HD1  LEU  20          2HD1      LEU  20  -9.728   7.790   1.725
  155   1HD2  LEU  20          1HD2      LEU  20  -5.848   8.556   1.011
  156   2HD2  LEU  20          3HD2      LEU  20  -6.746   7.864   2.362
  157   3HD2  LEU  20          2HD2      LEU  20  -6.419   6.889   0.928
  158    H    PHE  21           H        PHE  21 -11.113   9.922  -0.187
  159    HA   PHE  21           HA       PHE  21 -10.282  12.697   0.273
  160   1HB   PHE  21          2HB       PHE  21 -12.728  11.070   0.958
  161   2HB   PHE  21          1HB       PHE  21 -12.471  12.653   1.688
  162    HD1  PHE  21           HD1      PHE  21 -11.184  11.922  -1.671
  163    HD2  PHE  21           HD2      PHE  21 -14.445  13.605   0.562
  164    HE1  PHE  21           HE1      PHE  21 -12.031  13.013  -3.730
  165    HE2  PHE  21           HE2      PHE  21 -15.290  14.697  -1.498
  166    HZ   PHE  21           HZ       PHE  21 -14.084  14.401  -3.644
  167    H    CYS  22           H        CYS  22  -8.981  13.227   1.959
  168    HA   CYS  22           HA       CYS  22  -8.839  11.352   4.270
  169   1HB   CYS  22          2HB       CYS  22  -6.772  12.155   2.865
  170   2HB   CYS  22          1HB       CYS  22  -6.923  13.623   3.830
  171    HA   PRO  23           HA       PRO  23 -11.176  15.098   5.858
  172   1HB   PRO  23          2HB       PRO  23 -13.086  13.688   7.145
  173   2HB   PRO  23          1HB       PRO  23 -13.217  14.143   5.444
  174   1HG   PRO  23          2HG       PRO  23 -12.394  11.531   6.652
  175   2HG   PRO  23          1HG       PRO  23 -13.450  11.833   5.269
  176   1HD   PRO  23          1HD       PRO  23 -10.859  11.093   4.979
  177   2HD   PRO  23          2HD       PRO  23 -11.681  12.138   3.821
  178    H    GLN  24           H        GLN  24 -11.624  15.575   8.212
  179    HA   GLN  24           HA       GLN  24  -9.482  14.410   9.865
  180   1HB   GLN  24          2HB       GLN  24 -11.460  16.655  10.352
  181   2HB   GLN  24          1HB       GLN  24 -10.247  16.146  11.528
  182   1HG   GLN  24          2HG       GLN  24  -8.466  16.597   9.861
  183   2HG   GLN  24          1HG       GLN  24  -9.690  17.148   8.717
  184   1HE2  GLN  24          1HE2      GLN  24  -7.705  18.970   9.496
  185   2HE2  GLN  24          2HE2      GLN  24  -8.379  20.155  10.507
  186    H    ASP  25           H        ASP  25  -9.842  12.782  11.292
  187    HA   ASP  25           HA       ASP  25 -12.578  11.802  11.698
  188   1HB   ASP  25          2HB       ASP  25 -10.619  10.266  11.380
  189   2HB   ASP  25          1HB       ASP  25  -9.989  10.817  12.933
  190    H    LYS  26           H        LYS  26 -13.846  12.509  13.341
  191    HA   LYS  26           HA       LYS  26 -13.049  14.394  15.291
  192   1HB   LYS  26          2HB       LYS  26 -15.290  12.356  15.464
  193   2HB   LYS  26          1HB       LYS  26 -15.140  13.797  16.469
  194   1HG   LYS  26          2HG       LYS  26 -15.229  15.208  14.429
  195   2HG   LYS  26          1HG       LYS  26 -15.429  13.756  13.449
  196   1HD   LYS  26          2HD       LYS  26 -17.500  13.217  14.722
  197   2HD   LYS  26          1HD       LYS  26 -17.314  14.723  15.621
  198   1HE   LYS  26          2HE       LYS  26 -18.517  15.702  13.977
  199   2HE   LYS  26          1HE       LYS  26 -17.091  15.509  12.958
  200   1HZ   LYS  26          2HZ       LYS  26 -19.025  13.306  13.295
  201   2HZ   LYS  26          1HZ       LYS  26 -19.296  14.533  12.152
  202   3HZ   LYS  26          3HZ       LYS  26 -17.910  13.562  12.039
  203    H    LYS  27           H        LYS  27 -12.905  10.881  15.318
  204    HA   LYS  27           HA       LYS  27 -11.729  11.016  18.065
  205   1HB   LYS  27          2HB       LYS  27 -13.570   9.130  16.753
  206   2HB   LYS  27          1HB       LYS  27 -12.235   8.350  17.602
  207   1HG   LYS  27          2HG       LYS  27 -12.834   9.315  19.673
  208   2HG   LYS  27          1HG       LYS  27 -13.829  10.554  18.907
  209   1HD   LYS  27          2HD       LYS  27 -15.639   9.188  18.791
  210   2HD   LYS  27          1HD       LYS  27 -14.671   7.804  18.284
  211   1HE   LYS  27          2HE       LYS  27 -13.882   8.240  20.922
  212   2HE   LYS  27          1HE       LYS  27 -15.623   8.520  20.950
  213   1HZ   LYS  27          3HZ       LYS  27 -15.675   6.361  19.544
  214   2HZ   LYS  27          2HZ       LYS  27 -14.144   6.085  20.228
  215   3HZ   LYS  27          1HZ       LYS  27 -15.506   6.261  21.229
  216    HA   PRO  28           HA       PRO  28  -7.931  10.072  15.823
  217   1HB   PRO  28          2HB       PRO  28  -6.333  10.045  18.002
  218   2HB   PRO  28          1HB       PRO  28  -6.888  11.537  17.238
  219   1HG   PRO  28          2HG       PRO  28  -7.950  10.140  19.666
  220   2HG   PRO  28          1HG       PRO  28  -7.659  11.864  19.415
  221   1HD   PRO  28          1HD       PRO  28 -10.130  10.787  19.225
  222   2HD   PRO  28          2HD       PRO  28  -9.625  12.153  18.229
  223    H    ILE  29           H        ILE  29  -7.012   8.111  15.341
  224    HA   ILE  29           HA       ILE  29  -7.503   5.872  17.265
  225    HB   ILE  29           HB       ILE  29  -8.800   5.471  15.291
  226   1HG1  ILE  29          2HG1      ILE  29  -7.086   3.669  16.224
  227   2HG1  ILE  29          1HG1      ILE  29  -8.061   3.338  14.798
  228   1HG2  ILE  29          2HG2      ILE  29  -6.560   6.814  14.011
  229   2HG2  ILE  29          1HG2      ILE  29  -7.029   5.363  13.129
  230   3HG2  ILE  29          3HG2      ILE  29  -8.218   6.624  13.449
  231   1HD1  ILE  29          1HD1      ILE  29  -6.111   4.205  13.404
  232   2HD1  ILE  29          3HD1      ILE  29  -5.156   4.194  14.886
  233   3HD1  ILE  29          2HD1      ILE  29  -5.818   2.690  14.255
  234    H    GLN  30           H        GLN  30  -5.693   4.828  17.988
  235    HA   GLN  30           HA       GLN  30  -3.073   5.778  17.087
  236   1HB   GLN  30          2HB       GLN  30  -3.849   3.612  19.068
  237   2HB   GLN  30          1HB       GLN  30  -2.204   4.187  18.797
  238   1HG   GLN  30          2HG       GLN  30  -2.903   6.471  19.446
  239   2HG   GLN  30          1HG       GLN  30  -4.540   5.881  19.738
  240   1HE2  GLN  30          1HE2      GLN  30  -2.913   7.052  21.827
  241   2HE2  GLN  30          2HE2      GLN  30  -2.578   5.838  22.966
  242    H    SER  31           H        SER  31  -1.926   4.842  15.456
  243    HA   SER  31           HA       SER  31  -2.910   2.257  14.388
  244   1HB   SER  31          2HB       SER  31  -2.145   4.569  13.126
  245   2HB   SER  31          1HB       SER  31  -0.684   3.584  12.992
  246    HG   SER  31           HG       SER  31  -3.243   2.548  12.414
  247    H    LEU  32           H        LEU  32  -0.727   1.140  13.249
  248    HA   LEU  32           HA       LEU  32   1.277   0.846  15.442
  249   1HB   LEU  32          2HB       LEU  32   1.223  -1.641  15.002
  250   2HB   LEU  32          1HB       LEU  32  -0.245  -1.003  15.741
  251    HG   LEU  32           HG       LEU  32  -0.794  -0.698  13.066
  252   1HD1  LEU  32          1HD1      LEU  32   1.421  -2.096  12.800
  253   2HD1  LEU  32          3HD1      LEU  32   0.384  -3.455  13.235
  254   3HD1  LEU  32          2HD1      LEU  32   0.016  -2.487  11.807
  255   1HD2  LEU  32          3HD2      LEU  32  -1.808  -2.084  15.244
  256   2HD2  LEU  32          2HD2      LEU  32  -2.554  -1.994  13.648
  257   3HD2  LEU  32          1HD2      LEU  32  -1.513  -3.357  14.059
  258    H    ASP  33           H        ASP  33   0.774   1.512  12.228
  259    HA   ASP  33           HA       ASP  33   3.101   0.049  11.183
  260   1HB   ASP  33          2HB       ASP  33   1.219   2.090   9.983
  261   2HB   ASP  33          1HB       ASP  33   2.605   1.440   9.108
  262    H    GLY  34           H        GLY  34   2.972   2.500  13.250
  263   1HA   GLY  34          1HA       GLY  34   5.443   3.737  12.136
  264   2HA   GLY  34          2HA       GLY  34   4.995   3.730  13.841
  265    H    ILE  35           H        ILE  35   2.262   4.358  12.015
  266    HA   ILE  35           HA       ILE  35   2.714   7.309  12.138
  267    HB   ILE  35           HB       ILE  35   0.715   5.702  10.517
  268   1HG1  ILE  35          2HG1      ILE  35   2.769   7.432   9.253
  269   2HG1  ILE  35          1HG1      ILE  35   3.366   5.959  10.017
  270   1HG2  ILE  35          2HG2      ILE  35   0.102   8.093  11.356
  271   2HG2  ILE  35          1HG2      ILE  35   1.318   8.636  10.201
  272   3HG2  ILE  35          3HG2      ILE  35  -0.088   7.732   9.641
  273   1HD1  ILE  35          3HD1      ILE  35   0.946   5.768   8.264
  274   2HD1  ILE  35          2HD1      ILE  35   2.524   5.941   7.495
  275   3HD1  ILE  35          1HD1      ILE  35   2.208   4.573   8.563
  276    H    MET  36           H        MET  36   1.029   8.613  13.079
  277    HA   MET  36           HA       MET  36  -0.619   7.097  15.044
  278   1HB   MET  36          2HB       MET  36   0.227  10.006  14.945
  279   2HB   MET  36          1HB       MET  36  -0.833   9.324  16.178
  280   1HG   MET  36          2HG       MET  36   0.970   7.678  16.742
  281   2HG   MET  36          1HG       MET  36   2.030   8.505  15.600
  282   1HE   MET  36          3HE       MET  36  -0.624   9.139  18.022
  283   2HE   MET  36          2HE       MET  36   0.430   8.925  19.417
  284   3HE   MET  36          1HE       MET  36  -0.155  10.534  19.004
  285    H    PHE  37           H        PHE  37  -2.687   6.769  14.417
  286    HA   PHE  37           HA       PHE  37  -4.820   7.186  13.552
  287   1HB   PHE  37          2HB       PHE  37  -4.910   9.115  14.962
  288   2HB   PHE  37          1HB       PHE  37  -3.826  10.016  13.904
  289    HD1  PHE  37           HD1      PHE  37  -6.383   7.826  12.460
  290    HD2  PHE  37           HD2      PHE  37  -5.477  11.848  13.666
  291    HE1  PHE  37           HE1      PHE  37  -8.330   8.650  11.168
  292    HE2  PHE  37           HE2      PHE  37  -7.425  12.674  12.372
  293    HZ   PHE  37           HZ       PHE  37  -8.852  11.075  11.123
  294    H    ILE  38           H        ILE  38  -3.013   9.834  12.002
  295    HA   ILE  38           HA       ILE  38  -4.124   9.761   9.488
  296    HB   ILE  38           HB       ILE  38  -1.159  10.010  10.086
  297   1HG1  ILE  38          1HG1      ILE  38  -3.319  12.124   9.816
  298   2HG1  ILE  38          2HG1      ILE  38  -2.622  11.583  11.344
  299   1HG2  ILE  38          1HG2      ILE  38  -2.850  10.618   7.664
  300   2HG2  ILE  38          3HG2      ILE  38  -1.345  11.487   7.962
  301   3HG2  ILE  38          2HG2      ILE  38  -1.325   9.737   7.747
  302   1HD1  ILE  38          3HD1      ILE  38  -0.463  12.212   9.589
  303   2HD1  ILE  38          2HD1      ILE  38  -1.606  13.554   9.530
  304   3HD1  ILE  38          1HD1      ILE  38  -0.929  13.040  11.075
  305    H    ASN  39           H        ASN  39  -1.993   7.375  10.892
  306    HA   ASN  39           HA       ASN  39  -1.007   5.954   8.740
  307   1HB   ASN  39          2HB       ASN  39  -0.951   5.399  11.283
  308   2HB   ASN  39          1HB       ASN  39  -2.425   4.493  10.952
  309   1HD2  ASN  39          1HD2      ASN  39  -1.999   2.330  10.488
  310   2HD2  ASN  39          2HD2      ASN  39  -0.603   1.754   9.713
  311    H    LYS  40           H        LYS  40  -4.355   5.745  10.007
  312    HA   LYS  40           HA       LYS  40  -5.223   3.723   8.215
  313   1HB   LYS  40          2HB       LYS  40  -6.764   6.011   9.473
  314   2HB   LYS  40          1HB       LYS  40  -7.527   4.704   8.570
  315   1HG   LYS  40          2HG       LYS  40  -6.276   3.122  10.192
  316   2HG   LYS  40          1HG       LYS  40  -6.053   4.557  11.195
  317   1HD   LYS  40          2HD       LYS  40  -8.553   4.937  11.033
  318   2HD   LYS  40          1HD       LYS  40  -8.678   3.355  10.267
  319   1HE   LYS  40          2HE       LYS  40  -7.132   2.842  12.511
  320   2HE   LYS  40          1HE       LYS  40  -8.296   4.034  13.090
  321   1HZ   LYS  40          1HZ       LYS  40  -9.396   1.952  11.412
  322   2HZ   LYS  40          3HZ       LYS  40  -8.804   1.424  12.912
  323   3HZ   LYS  40          2HZ       LYS  40 -10.000   2.629  12.848
  324    H    CYS  41           H        CYS  41  -4.891   7.193   7.779
  325    HA   CYS  41           HA       CYS  41  -6.191   7.149   5.150
  326   1HB   CYS  41          2HB       CYS  41  -6.133   9.117   6.785
  327   2HB   CYS  41          1HB       CYS  41  -4.460   9.333   6.304
  328    H    ALA  42           H        ALA  42  -2.890   7.599   6.388
  329    HA   ALA  42           HA       ALA  42  -1.749   7.580   3.701
  330   1HB   ALA  42          1HB       ALA  42  -0.101   7.148   6.166
  331   2HB   ALA  42          3HB       ALA  42   0.275   8.084   4.720
  332   3HB   ALA  42          2HB       ALA  42  -0.863   8.717   5.909
  333    H    THR  43           H        THR  43  -2.684   5.119   5.936
  334    HA   THR  43           HA       THR  43  -0.775   3.207   4.665
  335    HB   THR  43           HB       THR  43  -2.634   2.616   6.972
  336    HG1  THR  43           HG1      THR  43   0.061   3.358   7.262
  337   1HG2  THR  43          1HG2      THR  43  -0.841   1.077   5.438
  338   2HG2  THR  43          3HG2      THR  43  -0.029   1.361   6.978
  339   3HG2  THR  43          2HG2      THR  43  -1.623   0.607   6.947
  340    H    CYS  44           H        CYS  44  -3.961   4.299   4.416
  341    HA   CYS  44           HA       CYS  44  -4.951   1.689   3.404
  342   1HB   CYS  44          2HB       CYS  44  -6.286   4.305   4.087
  343   2HB   CYS  44          1HB       CYS  44  -7.119   3.069   3.145
  344    H    LYS  45           H        LYS  45  -3.900   4.841   2.303
  345    HA   LYS  45           HA       LYS  45  -5.097   4.932  -0.247
  346   1HB   LYS  45          2HB       LYS  45  -2.397   5.830   0.758
  347   2HB   LYS  45          1HB       LYS  45  -2.854   6.045  -0.931
  348   1HG   LYS  45          2HG       LYS  45  -4.917   7.243  -0.159
  349   2HG   LYS  45          1HG       LYS  45  -4.311   7.134   1.494
  350   1HD   LYS  45          2HD       LYS  45  -2.135   8.198   0.424
  351   2HD   LYS  45          1HD       LYS  45  -3.271   8.752  -0.806
  352   1HE   LYS  45          2HE       LYS  45  -4.588   9.928   0.821
  353   2HE   LYS  45          1HE       LYS  45  -3.722   9.171   2.159
  354   1HZ   LYS  45          3HZ       LYS  45  -1.689  10.270   0.926
  355   2HZ   LYS  45          2HZ       LYS  45  -2.891  11.346   0.394
  356   3HZ   LYS  45          1HZ       LYS  45  -2.614  11.130   2.057
  357    H    MET  46           H        MET  46  -2.221   3.152   0.832
  358    HA   MET  46           HA       MET  46  -1.746   2.014  -1.818
  359   1HB   MET  46          2HB       MET  46  -0.628   1.408   0.933
  360   2HB   MET  46          1HB       MET  46  -0.151   0.517  -0.512
  361   1HG   MET  46          2HG       MET  46   0.516   2.680  -1.572
  362   2HG   MET  46          1HG       MET  46   0.143   3.501  -0.057
  363   1HE   MET  46          3HE       MET  46   2.067   1.196  -2.063
  364   2HE   MET  46          2HE       MET  46   3.600   0.883  -1.253
  365   3HE   MET  46          1HE       MET  46   2.173  -0.053  -0.815
  366    H    ILE  47           H        ILE  47  -3.188   0.959   1.248
  367    HA   ILE  47           HA       ILE  47  -3.766  -1.727   0.383
  368    HB   ILE  47           HB       ILE  47  -5.109  -0.014   2.499
  369   1HG1  ILE  47          1HG1      ILE  47  -2.747  -0.314   2.973
  370   2HG1  ILE  47          2HG1      ILE  47  -3.664  -1.380   4.037
  371   1HG2  ILE  47          1HG2      ILE  47  -5.434  -2.850   1.622
  372   2HG2  ILE  47          3HG2      ILE  47  -5.485  -2.519   3.354
  373   3HG2  ILE  47          2HG2      ILE  47  -6.634  -1.731   2.271
  374   1HD1  ILE  47          1HD1      ILE  47  -3.332  -3.070   1.987
  375   2HD1  ILE  47          3HD1      ILE  47  -1.914  -2.058   1.715
  376   3HD1  ILE  47          2HD1      ILE  47  -2.116  -2.899   3.252
  377    H    LEU  48           H        LEU  48  -5.247   1.365  -0.177
  378    HA   LEU  48           HA       LEU  48  -7.897   0.464  -0.829
  379   1HB   LEU  48          2HB       LEU  48  -6.868   2.900  -0.524
  380   2HB   LEU  48          1HB       LEU  48  -6.653   2.779  -2.269
  381    HG   LEU  48           HG       LEU  48  -8.796   3.748  -2.015
  382   1HD1  LEU  48          2HD1      LEU  48  -8.696   1.699  -3.506
  383   2HD1  LEU  48          1HD1      LEU  48  -9.392   0.782  -2.169
  384   3HD1  LEU  48          3HD1      LEU  48 -10.305   2.099  -2.906
  385   1HD2  LEU  48          3HD2      LEU  48  -8.785   2.203   0.449
  386   2HD2  LEU  48          2HD2      LEU  48  -9.729   3.634   0.033
  387   3HD2  LEU  48          1HD2      LEU  48 -10.318   2.031  -0.407
  388    H    GLU  49           H        GLU  49  -4.918   0.838  -2.721
  389    HA   GLU  49           HA       GLU  49  -6.116   0.182  -5.261
  390   1HB   GLU  49          2HB       GLU  49  -3.244  -0.119  -4.325
  391   2HB   GLU  49          1HB       GLU  49  -3.784  -0.197  -6.003
  392   1HG   GLU  49          2HG       GLU  49  -4.115   2.189  -4.156
  393   2HG   GLU  49          1HG       GLU  49  -2.923   2.054  -5.450
  394    H    LYS  50           H        LYS  50  -4.628  -1.733  -2.680
  395    HA   LYS  50           HA       LYS  50  -4.479  -4.220  -4.051
  396   1HB   LYS  50          2HB       LYS  50  -4.995  -3.629  -1.121
  397   2HB   LYS  50          1HB       LYS  50  -4.620  -5.230  -1.759
  398   1HG   LYS  50          2HG       LYS  50  -2.501  -4.258  -2.725
  399   2HG   LYS  50          1HG       LYS  50  -2.860  -2.763  -1.861
  400   1HD   LYS  50          2HD       LYS  50  -2.961  -4.120   0.268
  401   2HD   LYS  50          1HD       LYS  50  -2.369  -5.501  -0.656
  402   1HE   LYS  50          2HE       LYS  50  -0.522  -4.296   0.487
  403   2HE   LYS  50          1HE       LYS  50  -0.347  -4.248  -1.268
  404   1HZ   LYS  50          1HZ       LYS  50  -1.925  -2.081  -0.305
  405   2HZ   LYS  50          3HZ       LYS  50  -0.395  -2.095   0.426
  406   3HZ   LYS  50          2HZ       LYS  50  -0.525  -2.051  -1.267
  407    H    GLU  51           H        GLU  51  -7.159  -2.633  -2.360
  408    HA   GLU  51           HA       GLU  51  -8.994  -4.805  -2.384
  409   1HB   GLU  51          2HB       GLU  51  -9.537  -1.830  -2.642
  410   2HB   GLU  51          1HB       GLU  51 -10.751  -3.051  -2.262
  411   1HG   GLU  51          2HG       GLU  51  -9.497  -3.674  -0.231
  412   2HG   GLU  51          1HG       GLU  51  -8.271  -2.465  -0.614
  413    H    ALA  52           H        ALA  52  -8.083  -2.485  -4.886
  414    HA   ALA  52           HA       ALA  52 -10.180  -3.079  -6.735
  415   1HB   ALA  52          2HB       ALA  52  -9.029  -1.238  -7.479
  416   2HB   ALA  52          3HB       ALA  52  -8.135  -2.456  -8.389
  417   3HB   ALA  52          1HB       ALA  52  -7.483  -1.834  -6.873
  418    H    LYS  53           H        LYS  53  -7.208  -4.742  -5.912
  419    HA   LYS  53           HA       LYS  53  -7.012  -6.429  -8.209
  420   1HB   LYS  53          2HB       LYS  53  -6.244  -7.065  -5.342
  421   2HB   LYS  53          1HB       LYS  53  -5.653  -7.893  -6.782
  422   1HG   LYS  53          2HG       LYS  53  -5.278  -4.933  -6.238
  423   2HG   LYS  53          1HG       LYS  53  -4.057  -6.165  -5.917
  424   1HD   LYS  53          2HD       LYS  53  -4.217  -6.831  -8.349
  425   2HD   LYS  53          1HD       LYS  53  -5.246  -5.422  -8.604
  426   1HE   LYS  53          2HE       LYS  53  -3.323  -4.085  -7.481
  427   2HE   LYS  53          1HE       LYS  53  -2.338  -5.510  -7.812
  428   1HZ   LYS  53          3HZ       LYS  53  -3.545  -5.166 -10.161
  429   2HZ   LYS  53          2HZ       LYS  53  -3.441  -3.551  -9.643
  430   3HZ   LYS  53          1HZ       LYS  53  -2.035  -4.497  -9.776
  431    H    SER  54           H        SER  54  -9.000  -6.594  -5.309
  432    HA   SER  54           HA       SER  54  -9.859  -9.303  -5.545
  433   1HB   SER  54          2HB       SER  54 -10.284  -7.816  -3.568
  434   2HB   SER  54          1HB       SER  54 -11.484  -6.952  -4.529
  435    HG   SER  54           HG       SER  54 -12.642  -8.474  -3.519
  436    H    GLN  55           H        GLN  55 -10.769  -6.400  -7.277
  437    HA   GLN  55           HA       GLN  55 -12.327  -6.058  -9.006
  438   1HB   GLN  55          2HB       GLN  55 -11.603  -8.963  -9.495
  439   2HB   GLN  55          1HB       GLN  55 -12.414  -7.913 -10.656
  440   1HG   GLN  55          2HG       GLN  55 -10.491  -6.408 -10.693
  441   2HG   GLN  55          1HG       GLN  55  -9.689  -7.359  -9.443
  442   1HE2  GLN  55          1HE2      GLN  55  -8.464  -6.975 -11.997
  443   2HE2  GLN  55          2HE2      GLN  55  -8.430  -8.465 -12.810

  No H/Q in entry =         443
  Start of MODEL   29
    1    H1   LYS   1          2H        LYS   1  18.528  -0.279   1.498
    2    H2   LYS   1          1H        LYS   1  19.090   0.240  -0.019
    3    H3   LYS   1          3H        LYS   1  20.130   0.260   1.321
    4    HA   LYS   1           HA       LYS   1  19.451   2.486   0.954
    5   1HB   LYS   1          2HB       LYS   1  16.662   1.297   0.934
    6   2HB   LYS   1          1HB       LYS   1  16.997   3.028   0.982
    7   1HG   LYS   1          2HG       LYS   1  18.310   2.786  -1.133
    8   2HG   LYS   1          1HG       LYS   1  17.831   1.090  -1.198
    9   1HD   LYS   1          2HD       LYS   1  15.435   1.822  -1.181
   10   2HD   LYS   1          1HD       LYS   1  15.986   3.495  -1.271
   11   1HE   LYS   1          2HE       LYS   1  17.327   2.713  -3.354
   12   2HE   LYS   1          1HE       LYS   1  16.259   1.310  -3.332
   13   1HZ   LYS   1          1HZ       LYS   1  14.419   3.099  -3.146
   14   2HZ   LYS   1          3HZ       LYS   1  15.597   4.140  -3.783
   15   3HZ   LYS   1          2HZ       LYS   1  15.113   2.768  -4.661
   16    H    ASN   2           H        ASN   2  17.399   0.354   2.977
   17    HA   ASN   2           HA       ASN   2  17.117   2.073   5.187
   18   1HB   ASN   2          2HB       ASN   2  17.453  -0.943   5.202
   19   2HB   ASN   2          1HB       ASN   2  16.815   0.016   6.538
   20   1HD2  ASN   2          1HD2      ASN   2  15.266  -2.027   5.175
   21   2HD2  ASN   2          2HD2      ASN   2  13.973  -1.254   4.392
   22    H    GLU   3           H        GLU   3  19.896   0.245   4.120
   23    HA   GLU   3           HA       GLU   3  21.410   0.148   6.505
   24   1HB   GLU   3          2HB       GLU   3  22.337   0.575   3.648
   25   2HB   GLU   3          1HB       GLU   3  23.406   0.176   4.993
   26   1HG   GLU   3          2HG       GLU   3  22.063  -1.892   5.393
   27   2HG   GLU   3          1HG       GLU   3  21.102  -1.508   3.965
   28    H    ASP   4           H        ASP   4  20.614   2.840   4.432
   29    HA   ASP   4           HA       ASP   4  22.682   4.636   5.293
   30   1HB   ASP   4          2HB       ASP   4  21.300   6.392   4.358
   31   2HB   ASP   4          1HB       ASP   4  21.178   4.986   3.301
   32    H    GLN   5           H        GLN   5  19.716   3.543   6.752
   33    HA   GLN   5           HA       GLN   5  19.426   5.722   8.630
   34   1HB   GLN   5          2HB       GLN   5  17.588   4.133   8.032
   35   2HB   GLN   5          1HB       GLN   5  18.457   2.860   8.889
   36   1HG   GLN   5          2HG       GLN   5  18.369   4.223  10.963
   37   2HG   GLN   5          1HG       GLN   5  17.448   5.453  10.098
   38   1HE2  GLN   5          1HE2      GLN   5  16.128   4.406  12.245
   39   2HE2  GLN   5          2HE2      GLN   5  14.933   3.301  11.762
   40    H    GLU   6           H        GLU   6  21.320   2.774   8.557
   41    HA   GLU   6           HA       GLU   6  21.921   2.710  11.385
   42   1HB   GLU   6          2HB       GLU   6  22.217   0.741   9.900
   43   2HB   GLU   6          1HB       GLU   6  23.513   1.589   9.057
   44   1HG   GLU   6          2HG       GLU   6  24.691   1.809  11.287
   45   2HG   GLU   6          1HG       GLU   6  23.467   0.735  11.964
   46    H    MET   7           H        MET   7  23.060   4.608   8.731
   47    HA   MET   7           HA       MET   7  25.656   5.275   9.809
   48   1HB   MET   7          2HB       MET   7  23.866   6.761   7.863
   49   2HB   MET   7          1HB       MET   7  25.540   7.192   8.210
   50   1HG   MET   7          2HG       MET   7  26.263   4.946   7.458
   51   2HG   MET   7          1HG       MET   7  24.588   4.539   7.085
   52   1HE   MET   7          3HE       MET   7  26.818   4.206   5.001
   53   2HE   MET   7          2HE       MET   7  25.112   3.913   4.674
   54   3HE   MET   7          1HE       MET   7  26.062   4.887   3.555
   55    H    CYS   8           H        CYS   8  22.420   6.309  10.503
   56    HA   CYS   8           HA       CYS   8  23.050   8.883  11.625
   57   1HB   CYS   8          2HB       CYS   8  20.738   6.988  11.783
   58   2HB   CYS   8          1HB       CYS   8  20.842   8.279  12.981
   59    H    HIS   9           H        HIS   9  22.998   5.598  12.945
   60    HA   HIS   9           HA       HIS   9  23.109   6.027  15.677
   61   1HB   HIS   9          2HB       HIS   9  23.281   3.775  14.976
   62   2HB   HIS   9          1HB       HIS   9  24.643   4.117  13.912
   63    HD1  HIS   9           HD1      HIS   9  26.863   5.056  15.327
   64    HD2  HIS   9           HD2      HIS   9  24.100   2.718  17.395
   65    HE1  HIS   9           HE1      HIS   9  28.050   4.208  17.392
   66    H    GLU  10           H        GLU  10  25.846   6.334  13.400
   67    HA   GLU  10           HA       GLU  10  27.672   7.269  15.446
   68   1HB   GLU  10          2HB       GLU  10  27.760   7.376  12.420
   69   2HB   GLU  10          1HB       GLU  10  29.074   7.947  13.449
   70   1HG   GLU  10          2HG       GLU  10  29.133   5.673  14.521
   71   2HG   GLU  10          1HG       GLU  10  27.950   5.133  13.329
   72    H    PHE  11           H        PHE  11  25.538   8.847  13.086
   73    HA   PHE  11           HA       PHE  11  26.522  11.508  13.818
   74   1HB   PHE  11          2HB       PHE  11  24.827  10.397  11.748
   75   2HB   PHE  11          1HB       PHE  11  24.061  11.798  12.496
   76    HD1  PHE  11           HD1      PHE  11  26.292  13.472  13.286
   77    HD2  PHE  11           HD2      PHE  11  25.792  11.123   9.724
   78    HE1  PHE  11           HE1      PHE  11  27.857  14.968  12.081
   79    HE2  PHE  11           HE2      PHE  11  27.359  12.619   8.519
   80    HZ   PHE  11           HZ       PHE  11  28.392  14.542   9.697
   81    H    GLN  12           H        GLN  12  24.682   9.332  15.438
   82    HA   GLN  12           HA       GLN  12  22.598  11.148  16.407
   83   1HB   GLN  12          2HB       GLN  12  22.311   8.647  16.305
   84   2HB   GLN  12          1HB       GLN  12  23.509   8.510  17.593
   85   1HG   GLN  12          2HG       GLN  12  22.097   9.922  19.052
   86   2HG   GLN  12          1HG       GLN  12  20.897  10.046  17.765
   87   1HE2  GLN  12          1HE2      GLN  12  20.007   8.928  20.135
   88   2HE2  GLN  12          2HE2      GLN  12  19.813   7.250  19.968
   89    H    ALA  13           H        ALA  13  25.877  10.381  17.175
   90    HA   ALA  13           HA       ALA  13  25.725  11.425  19.919
   91   1HB   ALA  13          3HB       ALA  13  27.444   9.693  18.657
   92   2HB   ALA  13          2HB       ALA  13  28.379  11.189  18.656
   93   3HB   ALA  13          1HB       ALA  13  27.795  10.516  20.178
   94    H    PHE  14           H        PHE  14  26.518  12.564  16.706
   95    HA   PHE  14           HA       PHE  14  27.680  15.076  17.719
   96   1HB   PHE  14          2HB       PHE  14  26.973  14.207  14.897
   97   2HB   PHE  14          1HB       PHE  14  27.864  15.668  15.323
   98    HD1  PHE  14           HD1      PHE  14  30.060  15.414  16.619
   99    HD2  PHE  14           HD2      PHE  14  28.079  12.131  14.682
  100    HE1  PHE  14           HE1      PHE  14  32.169  14.109  16.673
  101    HE2  PHE  14           HE2      PHE  14  30.187  10.827  14.735
  102    HZ   PHE  14           HZ       PHE  14  32.232  11.816  15.731
  103    H    MET  15           H        MET  15  24.716  14.077  17.980
  104    HA   MET  15           HA       MET  15  23.220  16.145  16.559
  105   1HB   MET  15          2HB       MET  15  22.610  13.848  18.322
  106   2HB   MET  15          1HB       MET  15  21.486  15.203  18.436
  107   1HG   MET  15          2HG       MET  15  21.095  15.145  16.039
  108   2HG   MET  15          1HG       MET  15  22.333  13.905  15.830
  109   1HE   MET  15          2HE       MET  15  19.253  15.116  17.167
  110   2HE   MET  15          1HE       MET  15  18.341  14.080  16.071
  111   3HE   MET  15          3HE       MET  15  18.303  13.780  17.814
  112    H    LYS  16           H        LYS  16  22.386  18.040  17.452
  113    HA   LYS  16           HA       LYS  16  23.305  18.675  20.228
  114   1HB   LYS  16          2HB       LYS  16  23.010  20.558  17.872
  115   2HB   LYS  16          1HB       LYS  16  23.514  21.022  19.497
  116   1HG   LYS  16          2HG       LYS  16  25.376  19.260  19.227
  117   2HG   LYS  16          1HG       LYS  16  24.976  19.277  17.510
  118   1HD   LYS  16          2HD       LYS  16  25.408  21.688  17.409
  119   2HD   LYS  16          1HD       LYS  16  25.739  21.719  19.141
  120   1HE   LYS  16          2HE       LYS  16  27.279  19.852  17.355
  121   2HE   LYS  16          1HE       LYS  16  27.746  21.550  17.462
  122   1HZ   LYS  16          1HZ       LYS  16  27.683  21.197  19.957
  123   2HZ   LYS  16          3HZ       LYS  16  27.650  19.535  19.624
  124   3HZ   LYS  16          2HZ       LYS  16  28.970  20.475  19.115
  125    H    ASN  17           H        ASN  17  21.692  19.203  21.623
  126    HA   ASN  17           HA       ASN  17  19.520  19.638  22.400
  127   1HB   ASN  17          2HB       ASN  17  20.127  21.831  21.254
  128   2HB   ASN  17          1HB       ASN  17  19.223  21.250  19.854
  129   1HD2  ASN  17          1HD2      ASN  17  18.800  21.705  23.410
  130   2HD2  ASN  17          2HD2      ASN  17  17.158  22.122  23.310
  131    H    GLY  18           H        GLY  18  19.903  17.266  20.788
  132   1HA   GLY  18          1HA       GLY  18  17.131  16.669  20.202
  133   2HA   GLY  18          2HA       GLY  18  18.498  15.591  19.917
  134    H    LYS  19           H        LYS  19  19.820  17.852  18.352
  135    HA   LYS  19           HA       LYS  19  18.260  17.437  15.834
  136   1HB   LYS  19          2HB       LYS  19  18.047  19.781  16.701
  137   2HB   LYS  19          1HB       LYS  19  19.799  19.942  16.578
  138   1HG   LYS  19          2HG       LYS  19  19.279  19.033  14.096
  139   2HG   LYS  19          1HG       LYS  19  17.745  19.839  14.424
  140   1HD   LYS  19          2HD       LYS  19  19.187  21.840  15.202
  141   2HD   LYS  19          1HD       LYS  19  20.519  21.030  14.376
  142   1HE   LYS  19          2HE       LYS  19  19.495  22.589  12.821
  143   2HE   LYS  19          1HE       LYS  19  19.096  20.950  12.305
  144   1HZ   LYS  19          3HZ       LYS  19  17.326  22.587  14.029
  145   2HZ   LYS  19          2HZ       LYS  19  17.196  22.548  12.336
  146   3HZ   LYS  19          1HZ       LYS  19  16.948  21.133  13.242
  147    H    LEU  20           H        LEU  20  19.551  17.188  13.936
  148    HA   LEU  20           HA       LEU  20  22.239  16.140  14.468
  149   1HB   LEU  20          2HB       LEU  20  20.571  15.122  12.827
  150   2HB   LEU  20          1HB       LEU  20  20.884  16.503  11.780
  151    HG   LEU  20           HG       LEU  20  22.255  14.350  11.369
  152   1HD1  LEU  20          2HD1      LEU  20  22.911  17.130  11.208
  153   2HD1  LEU  20          1HD1      LEU  20  24.376  16.221  11.587
  154   3HD1  LEU  20          3HD1      LEU  20  23.430  15.812  10.156
  155   1HD2  LEU  20          1HD2      LEU  20  22.769  14.397  13.994
  156   2HD2  LEU  20          3HD2      LEU  20  23.921  13.737  12.832
  157   3HD2  LEU  20          2HD2      LEU  20  24.130  15.377  13.446
  158    H    PHE  21           H        PHE  21  24.107  17.285  14.171
  159    HA   PHE  21           HA       PHE  21  23.843  20.041  13.088
  160   1HB   PHE  21          2HB       PHE  21  25.420  18.791  15.179
  161   2HB   PHE  21          1HB       PHE  21  26.451  19.674  14.054
  162    HD1  PHE  21           HD1      PHE  21  23.096  20.117  15.695
  163    HD2  PHE  21           HD2      PHE  21  26.824  21.913  14.545
  164    HE1  PHE  21           HE1      PHE  21  22.379  22.258  16.718
  165    HE2  PHE  21           HE2      PHE  21  26.107  24.056  15.566
  166    HZ   PHE  21           HZ       PHE  21  23.884  24.229  16.652
  167    H    CYS  22           H        CYS  22  23.754  19.145  10.839
  168    HA   CYS  22           HA       CYS  22  25.614  17.601   9.505
  169   1HB   CYS  22          2HB       CYS  22  23.863  19.821   8.780
  170   2HB   CYS  22          1HB       CYS  22  25.330  19.803   7.803
  171    HA   PRO  23           HA       PRO  23  29.345  19.904  10.763
  172   1HB   PRO  23          2HB       PRO  23  31.075  17.996   9.934
  173   2HB   PRO  23          1HB       PRO  23  30.225  17.921  11.479
  174   1HG   PRO  23          2HG       PRO  23  29.569  16.570   8.887
  175   2HG   PRO  23          1HG       PRO  23  29.563  15.896  10.520
  176   1HD   PRO  23          2HD       PRO  23  27.285  16.660   9.305
  177   2HD   PRO  23          1HD       PRO  23  27.513  16.853  11.044
  178    H    GLN  24           H        GLN  24  30.863  21.082   9.569
  179    HA   GLN  24           HA       GLN  24  30.267  21.646   6.837
  180   1HB   GLN  24          2HB       GLN  24  32.764  22.205   8.460
  181   2HB   GLN  24          1HB       GLN  24  32.444  22.885   6.865
  182   1HG   GLN  24          2HG       GLN  24  30.384  23.936   7.719
  183   2HG   GLN  24          1HG       GLN  24  30.686  23.243   9.313
  184   1HE2  GLN  24          1HE2      GLN  24  30.531  26.064   9.010
  185   2HE2  GLN  24          2HE2      GLN  24  32.073  26.730   9.253
  186    H    ASP  25           H        ASP  25  32.778  19.614   8.316
  187    HA   ASP  25           HA       ASP  25  32.874  17.828   6.083
  188   1HB   ASP  25          2HB       ASP  25  33.937  19.824   5.014
  189   2HB   ASP  25          1HB       ASP  25  35.203  19.763   6.240
  190    H    LYS  26           H        LYS  26  32.913  17.855   9.045
  191    HA   LYS  26           HA       LYS  26  35.501  17.108  10.020
  192   1HB   LYS  26          2HB       LYS  26  32.729  16.351  10.989
  193   2HB   LYS  26          1HB       LYS  26  34.215  16.020  11.879
  194   1HG   LYS  26          2HG       LYS  26  34.718  18.499  11.770
  195   2HG   LYS  26          1HG       LYS  26  33.096  18.731  11.119
  196   1HD   LYS  26          2HD       LYS  26  32.162  17.617  13.145
  197   2HD   LYS  26          1HD       LYS  26  33.794  17.499  13.802
  198   1HE   LYS  26          2HE       LYS  26  33.874  19.715  14.335
  199   2HE   LYS  26          1HE       LYS  26  33.018  20.196  12.869
  200   1HZ   LYS  26          3HZ       LYS  26  31.183  18.792  14.346
  201   2HZ   LYS  26          2HZ       LYS  26  31.997  19.753  15.487
  202   3HZ   LYS  26          1HZ       LYS  26  31.244  20.475  14.145
  203    H    LYS  27           H        LYS  27  32.799  15.204   8.735
  204    HA   LYS  27           HA       LYS  27  34.724  12.959   8.294
  205   1HB   LYS  27          2HB       LYS  27  33.213  12.384  10.159
  206   2HB   LYS  27          1HB       LYS  27  31.816  12.735   9.141
  207   1HG   LYS  27          2HG       LYS  27  31.973  10.750   8.051
  208   2HG   LYS  27          1HG       LYS  27  33.728  10.868   7.913
  209   1HD   LYS  27          2HD       LYS  27  33.271  10.500  10.647
  210   2HD   LYS  27          1HD       LYS  27  32.127   9.410   9.863
  211   1HE   LYS  27          2HE       LYS  27  34.816   9.418   8.651
  212   2HE   LYS  27          1HE       LYS  27  34.773   8.827  10.312
  213   1HZ   LYS  27          2HZ       LYS  27  32.584   7.763   8.925
  214   2HZ   LYS  27          1HZ       LYS  27  33.977   7.497   7.990
  215   3HZ   LYS  27          3HZ       LYS  27  33.912   6.938   9.590
  216    HA   PRO  28           HA       PRO  28  32.834  14.362   4.287
  217   1HB   PRO  28          2HB       PRO  28  35.063  13.890   2.830
  218   2HB   PRO  28          1HB       PRO  28  34.784  15.396   3.706
  219   1HG   PRO  28          2HG       PRO  28  36.419  13.013   4.503
  220   2HG   PRO  28          1HG       PRO  28  36.822  14.728   4.632
  221   1HD   PRO  28          1HD       PRO  28  35.949  13.320   6.756
  222   2HD   PRO  28          2HD       PRO  28  35.533  15.020   6.537
  223    H    ILE  29           H        ILE  29  31.502  12.792   3.529
  224    HA   ILE  29           HA       ILE  29  32.726  10.153   2.822
  225    HB   ILE  29           HB       ILE  29  30.595   9.094   3.293
  226   1HG1  ILE  29          2HG1      ILE  29  28.805  10.680   4.374
  227   2HG1  ILE  29          1HG1      ILE  29  29.666  11.942   3.498
  228   1HG2  ILE  29          1HG2      ILE  29  31.743  10.912   5.379
  229   2HG2  ILE  29          3HG2      ILE  29  30.258  10.033   5.751
  230   3HG2  ILE  29          2HG2      ILE  29  31.723   9.149   5.319
  231   1HD1  ILE  29          2HD1      ILE  29  29.194   9.609   1.821
  232   2HD1  ILE  29          1HD1      ILE  29  27.687  10.269   2.455
  233   3HD1  ILE  29          3HD1      ILE  29  28.777  11.298   1.525
  234    H    GLN  30           H        GLN  30  31.158   9.068   1.084
  235    HA   GLN  30           HA       GLN  30  30.900  11.070  -1.089
  236   1HB   GLN  30          2HB       GLN  30  30.880   8.044  -1.017
  237   2HB   GLN  30          1HB       GLN  30  30.441   8.949  -2.465
  238   1HG   GLN  30          2HG       GLN  30  32.650  10.139  -2.310
  239   2HG   GLN  30          1HG       GLN  30  33.084   9.062  -0.982
  240   1HE2  GLN  30          1HE2      GLN  30  34.726   8.889  -3.179
  241   2HE2  GLN  30          2HE2      GLN  30  34.407   7.480  -4.070
  242    H    SER  31           H        SER  31  28.908  11.946  -1.494
  243    HA   SER  31           HA       SER  31  26.562  10.852  -0.135
  244   1HB   SER  31          2HB       SER  31  25.965  13.015  -0.292
  245   2HB   SER  31          1HB       SER  31  27.302  13.341  -1.390
  246    HG   SER  31           HG       SER  31  25.963  12.551  -3.086
  247    H    LEU  32           H        LEU  32  24.883   9.725  -1.045
  248    HA   LEU  32           HA       LEU  32  25.332   8.718  -3.812
  249   1HB   LEU  32          2HB       LEU  32  23.580   7.002  -3.114
  250   2HB   LEU  32          1HB       LEU  32  25.107   6.926  -2.234
  251    HG   LEU  32           HG       LEU  32  23.252   8.789  -0.984
  252   1HD1  LEU  32          2HD1      LEU  32  22.293   6.063  -1.736
  253   2HD1  LEU  32          1HD1      LEU  32  21.921   6.637  -0.111
  254   3HD1  LEU  32          3HD1      LEU  32  21.376   7.554  -1.516
  255   1HD2  LEU  32          1HD2      LEU  32  25.004   6.483  -0.269
  256   2HD2  LEU  32          3HD2      LEU  32  24.930   8.098   0.436
  257   3HD2  LEU  32          2HD2      LEU  32  23.712   6.894   0.859
  258    H    ASP  33           H        ASP  33  23.478  10.960  -2.101
  259    HA   ASP  33           HA       ASP  33  21.038  10.710  -3.694
  260   1HB   ASP  33          2HB       ASP  33  22.030  12.865  -1.808
  261   2HB   ASP  33          1HB       ASP  33  20.447  12.886  -2.586
  262    H    GLY  34           H        GLY  34  24.027  11.560  -4.599
  263   1HA   GLY  34          1HA       GLY  34  23.013  13.607  -6.524
  264   2HA   GLY  34          2HA       GLY  34  24.298  12.456  -6.891
  265    H    ILE  35           H        ILE  35  24.528  13.591  -3.718
  266    HA   ILE  35           HA       ILE  35  26.227  15.912  -4.443
  267    HB   ILE  35           HB       ILE  35  25.738  14.978  -1.621
  268   1HG1  ILE  35          2HG1      ILE  35  23.814  16.875  -2.921
  269   2HG1  ILE  35          1HG1      ILE  35  23.568  15.146  -3.150
  270   1HG2  ILE  35          1HG2      ILE  35  26.196  17.623  -3.016
  271   2HG2  ILE  35          3HG2      ILE  35  25.689  17.514  -1.330
  272   3HG2  ILE  35          2HG2      ILE  35  27.235  16.830  -1.832
  273   1HD1  ILE  35          2HD1      ILE  35  24.030  16.293  -0.400
  274   2HD1  ILE  35          1HD1      ILE  35  22.419  16.261  -1.116
  275   3HD1  ILE  35          3HD1      ILE  35  23.291  14.754  -0.840
  276    H    MET  36           H        MET  36  28.340  16.049  -3.103
  277    HA   MET  36           HA       MET  36  29.558  13.346  -2.756
  278   1HB   MET  36          2HB       MET  36  30.729  15.698  -4.274
  279   2HB   MET  36          1HB       MET  36  31.657  14.278  -3.796
  280   1HG   MET  36          2HG       MET  36  30.151  12.834  -5.091
  281   2HG   MET  36          1HG       MET  36  29.173  14.232  -5.537
  282   1HE   MET  36          3HE       MET  36  32.606  12.622  -5.502
  283   2HE   MET  36          2HE       MET  36  33.566  13.518  -6.677
  284   3HE   MET  36          1HE       MET  36  33.114  14.280  -5.154
  285    H    PHE  37           H        PHE  37  29.214  13.825  -0.445
  286    HA   PHE  37           HA       PHE  37  31.506  14.983   0.804
  287   1HB   PHE  37          2HB       PHE  37  30.746  17.080   1.551
  288   2HB   PHE  37          1HB       PHE  37  30.222  17.016  -0.130
  289    HD1  PHE  37           HD1      PHE  37  27.947  14.953   0.395
  290    HD2  PHE  37           HD2      PHE  37  29.042  18.657   2.276
  291    HE1  PHE  37           HE1      PHE  37  25.600  15.281   1.112
  292    HE2  PHE  37           HE2      PHE  37  26.690  18.985   2.993
  293    HZ   PHE  37           HZ       PHE  37  24.970  17.297   2.410
  294    H    ILE  38           H        ILE  38  30.195  15.932   3.193
  295    HA   ILE  38           HA       ILE  38  29.754  13.448   4.547
  296    HB   ILE  38           HB       ILE  38  28.882  16.212   5.433
  297   1HG1  ILE  38          2HG1      ILE  38  31.538  14.773   5.593
  298   2HG1  ILE  38          1HG1      ILE  38  31.211  16.370   4.922
  299   1HG2  ILE  38          1HG2      ILE  38  27.953  14.313   6.732
  300   2HG2  ILE  38          3HG2      ILE  38  29.587  13.703   6.990
  301   3HG2  ILE  38          2HG2      ILE  38  29.102  15.248   7.686
  302   1HD1  ILE  38          1HD1      ILE  38  30.833  15.641   7.842
  303   2HD1  ILE  38          3HD1      ILE  38  32.266  16.444   7.199
  304   3HD1  ILE  38          2HD1      ILE  38  30.698  17.248   7.129
  305    H    ASN  39           H        ASN  39  28.103  12.719   2.828
  306    HA   ASN  39           HA       ASN  39  25.465  13.855   2.807
  307   1HB   ASN  39          2HB       ASN  39  26.627  12.135   1.188
  308   2HB   ASN  39          1HB       ASN  39  25.947  10.939   2.290
  309   1HD2  ASN  39          1HD2      ASN  39  24.302  10.176   0.818
  310   2HD2  ASN  39          2HD2      ASN  39  23.001  11.150   0.327
  311    H    LYS  40           H        LYS  40  27.039  11.424   4.830
  312    HA   LYS  40           HA       LYS  40  24.895  10.155   6.022
  313   1HB   LYS  40          2HB       LYS  40  27.431  11.208   7.283
  314   2HB   LYS  40          1HB       LYS  40  26.277  10.209   8.167
  315   1HG   LYS  40          2HG       LYS  40  26.485   8.476   6.365
  316   2HG   LYS  40          1HG       LYS  40  27.753   9.455   5.627
  317   1HD   LYS  40          2HD       LYS  40  29.029   9.327   7.779
  318   2HD   LYS  40          1HD       LYS  40  27.798   8.226   8.400
  319   1HE   LYS  40          2HE       LYS  40  28.257   6.697   6.478
  320   2HE   LYS  40          1HE       LYS  40  29.557   7.775   5.968
  321   1HZ   LYS  40          2HZ       LYS  40  29.416   6.529   8.656
  322   2HZ   LYS  40          1HZ       LYS  40  30.279   5.860   7.355
  323   3HZ   LYS  40          3HZ       LYS  40  30.725   7.373   7.978
  324    H    CYS  41           H        CYS  41  26.169  13.355   6.934
  325    HA   CYS  41           HA       CYS  41  24.032  13.805   8.850
  326   1HB   CYS  41          2HB       CYS  41  25.090  15.813   9.311
  327   2HB   CYS  41          1HB       CYS  41  26.432  14.938   8.586
  328    H    ALA  42           H        ALA  42  24.672  14.746   5.502
  329    HA   ALA  42           HA       ALA  42  22.387  16.407   5.126
  330   1HB   ALA  42          3HB       ALA  42  24.497  15.674   3.563
  331   2HB   ALA  42          2HB       ALA  42  23.201  14.731   2.828
  332   3HB   ALA  42          1HB       ALA  42  23.057  16.485   2.948
  333    H    THR  43           H        THR  43  22.768  12.905   5.149
  334    HA   THR  43           HA       THR  43  19.932  12.605   4.280
  335    HB   THR  43           HB       THR  43  20.762  10.067   4.516
  336    HG1  THR  43           HG1      THR  43  22.814  10.767   5.295
  337   1HG2  THR  43          1HG2      THR  43  21.328  12.010   2.266
  338   2HG2  THR  43          3HG2      THR  43  21.537  10.267   2.100
  339   3HG2  THR  43          2HG2      THR  43  19.940  10.934   2.438
  340    H    CYS  44           H        CYS  44  22.088  12.196   7.006
  341    HA   CYS  44           HA       CYS  44  20.240  10.629   8.601
  342   1HB   CYS  44          2HB       CYS  44  22.707  10.676   9.003
  343   2HB   CYS  44          1HB       CYS  44  22.556  12.352   9.535
  344    H    LYS  45           H        LYS  45  20.844  14.085   8.156
  345    HA   LYS  45           HA       LYS  45  19.502  15.096  10.416
  346   1HB   LYS  45          2HB       LYS  45  20.721  16.451   8.662
  347   2HB   LYS  45          1HB       LYS  45  19.307  16.262   7.625
  348   1HG   LYS  45          2HG       LYS  45  17.899  17.332   9.346
  349   2HG   LYS  45          1HG       LYS  45  19.309  17.514  10.390
  350   1HD   LYS  45          2HD       LYS  45  20.397  18.867   8.573
  351   2HD   LYS  45          1HD       LYS  45  18.883  18.788   7.671
  352   1HE   LYS  45          2HE       LYS  45  18.626  19.655  10.491
  353   2HE   LYS  45          1HE       LYS  45  19.489  20.775   9.437
  354   1HZ   LYS  45          3HZ       LYS  45  17.170  19.724   8.166
  355   2HZ   LYS  45          2HZ       LYS  45  16.769  20.477   9.636
  356   3HZ   LYS  45          1HZ       LYS  45  17.608  21.341   8.437
  357    H    MET  46           H        MET  46  18.133  13.990   7.326
  358    HA   MET  46           HA       MET  46  15.401  14.588   8.208
  359   1HB   MET  46          2HB       MET  46  16.466  13.087   5.794
  360   2HB   MET  46          1HB       MET  46  14.764  13.456   6.068
  361   1HG   MET  46          2HG       MET  46  17.016  15.465   5.758
  362   2HG   MET  46          1HG       MET  46  15.723  15.153   4.600
  363   1HE   MET  46          3HE       MET  46  13.487  14.878   5.296
  364   2HE   MET  46          2HE       MET  46  12.911  15.140   6.940
  365   3HE   MET  46          1HE       MET  46  12.661  16.384   5.719
  366    H    ILE  47           H        ILE  47  17.577  11.841   8.082
  367    HA   ILE  47           HA       ILE  47  15.482   9.906   8.743
  368    HB   ILE  47           HB       ILE  47  18.508   9.697   8.720
  369   1HG1  ILE  47          2HG1      ILE  47  16.446   8.543   6.823
  370   2HG1  ILE  47          1HG1      ILE  47  17.310  10.052   6.524
  371   1HG2  ILE  47          1HG2      ILE  47  16.462   7.943   9.806
  372   2HG2  ILE  47          3HG2      ILE  47  17.347   7.153   8.501
  373   3HG2  ILE  47          2HG2      ILE  47  18.217   7.794   9.895
  374   1HD1  ILE  47          1HD1      ILE  47  19.463   8.835   6.675
  375   2HD1  ILE  47          3HD1      ILE  47  18.584   7.329   6.939
  376   3HD1  ILE  47          2HD1      ILE  47  18.440   8.176   5.399
  377    H    LEU  48           H        LEU  48  17.524  12.104  10.454
  378    HA   LEU  48           HA       LEU  48  17.603  10.663  12.965
  379   1HB   LEU  48          2HB       LEU  48  18.950  12.806  12.066
  380   2HB   LEU  48          1HB       LEU  48  17.665  13.650  12.926
  381    HG   LEU  48           HG       LEU  48  19.326  13.377  14.570
  382   1HD1  LEU  48          2HD1      LEU  48  17.432  11.017  14.770
  383   2HD1  LEU  48          1HD1      LEU  48  18.478  11.542  16.083
  384   3HD1  LEU  48          3HD1      LEU  48  17.218  12.617  15.480
  385   1HD2  LEU  48          2HD2      LEU  48  19.945  10.966  13.011
  386   2HD2  LEU  48          1HD2      LEU  48  21.018  12.000  13.956
  387   3HD2  LEU  48          3HD2      LEU  48  20.086  10.731  14.753
  388    H    GLU  49           H        GLU  49  15.424  13.042  11.502
  389    HA   GLU  49           HA       GLU  49  13.819  13.541  13.814
  390   1HB   GLU  49          2HB       GLU  49  13.015  13.536  10.887
  391   2HB   GLU  49          1HB       GLU  49  12.078  14.251  12.200
  392   1HG   GLU  49          2HG       GLU  49  13.978  15.754  12.720
  393   2HG   GLU  49          1HG       GLU  49  14.887  15.055  11.380
  394    H    LYS  50           H        LYS  50  13.850  10.899  11.493
  395    HA   LYS  50           HA       LYS  50  11.304   9.770  12.098
  396   1HB   LYS  50          2HB       LYS  50  12.762   9.057  10.196
  397   2HB   LYS  50          1HB       LYS  50  13.845   8.287  11.357
  398   1HG   LYS  50          2HG       LYS  50  11.952   6.882  12.150
  399   2HG   LYS  50          1HG       LYS  50  10.917   7.617  10.927
  400   1HD   LYS  50          2HD       LYS  50  12.516   6.813   9.171
  401   2HD   LYS  50          1HD       LYS  50  13.414   5.968  10.433
  402   1HE   LYS  50          2HE       LYS  50  11.870   4.309  10.577
  403   2HE   LYS  50          1HE       LYS  50  10.519   5.438  10.478
  404   1HZ   LYS  50          3HZ       LYS  50  11.012   5.637   8.067
  405   2HZ   LYS  50          2HZ       LYS  50  12.139   4.377   8.232
  406   3HZ   LYS  50          1HZ       LYS  50  10.493   4.093   8.538
  407    H    GLU  51           H        GLU  51  14.478   9.360  13.645
  408    HA   GLU  51           HA       GLU  51  13.734   7.279  15.443
  409   1HB   GLU  51          2HB       GLU  51  15.755   9.515  15.787
  410   2HB   GLU  51          1HB       GLU  51  15.646   8.093  16.824
  411   1HG   GLU  51          2HG       GLU  51  16.016   6.642  14.845
  412   2HG   GLU  51          1HG       GLU  51  16.176   8.080  13.837
  413    H    ALA  52           H        ALA  52  13.242  10.765  15.559
  414    HA   ALA  52           HA       ALA  52  12.522  10.960  18.320
  415   1HB   ALA  52          2HB       ALA  52  12.918  13.010  17.189
  416   2HB   ALA  52          1HB       ALA  52  11.810  12.594  15.881
  417   3HB   ALA  52          3HB       ALA  52  11.178  12.994  17.478
  418    H    LYS  53           H        LYS  53  10.762   9.888  15.483
  419    HA   LYS  53           HA       LYS  53   8.113  10.060  16.527
  420   1HB   LYS  53          2HB       LYS  53   9.321   8.086  14.566
  421   2HB   LYS  53          1HB       LYS  53   7.592   8.260  14.868
  422   1HG   LYS  53          2HG       LYS  53   7.774  10.673  14.224
  423   2HG   LYS  53          1HG       LYS  53   9.464  10.395  13.800
  424   1HD   LYS  53          2HD       LYS  53   8.715   8.625  12.193
  425   2HD   LYS  53          1HD       LYS  53   7.044   9.056  12.554
  426   1HE   LYS  53          2HE       LYS  53   7.176  10.672  10.991
  427   2HE   LYS  53          1HE       LYS  53   8.380  11.485  11.991
  428   1HZ   LYS  53          2HZ       LYS  53   9.749   9.450  10.792
  429   2HZ   LYS  53          1HZ       LYS  53   8.728  10.025   9.562
  430   3HZ   LYS  53          3HZ       LYS  53   9.794  11.088  10.343
  431    H    SER  54           H        SER  54  10.634   7.597  16.877
  432    HA   SER  54           HA       SER  54   8.977   5.644  18.185
  433   1HB   SER  54          2HB       SER  54  11.064   4.586  18.841
  434   2HB   SER  54          1HB       SER  54  11.236   5.179  17.189
  435    HG   SER  54           HG       SER  54  12.516   5.953  19.483
  436    H    GLN  55           H        GLN  55  10.553   8.559  19.265
  437    HA   GLN  55           HA       GLN  55   9.904   7.858  22.094
  438   1HB   GLN  55          2HB       GLN  55  11.732   9.990  20.948
  439   2HB   GLN  55          1HB       GLN  55  11.408   9.769  22.667
  440   1HG   GLN  55          2HG       GLN  55  12.309   7.484  22.558
  441   2HG   GLN  55          1HG       GLN  55  12.596   7.668  20.828
  442   1HE2  GLN  55          1HE2      GLN  55  14.751   7.127  22.642
  443   2HE2  GLN  55          2HE2      GLN  55  15.760   8.491  22.696

  No H/Q in entry =         443
  Start of MODEL   30
    1    H1   LYS   1          2H        LYS   1  11.552 -31.826  17.337
    2    H2   LYS   1          1H        LYS   1   9.941 -31.489  17.759
    3    H3   LYS   1          3H        LYS   1  10.725 -30.544  16.589
    4    HA   LYS   1           HA       LYS   1  11.237 -29.124  18.197
    5   1HB   LYS   1          2HB       LYS   1  10.505 -31.365  20.106
    6   2HB   LYS   1          1HB       LYS   1  10.854 -29.706  20.591
    7   1HG   LYS   1          2HG       LYS   1   8.998 -28.930  19.106
    8   2HG   LYS   1          1HG       LYS   1   8.613 -30.616  18.760
    9   1HD   LYS   1          2HD       LYS   1   8.300 -30.991  21.218
   10   2HD   LYS   1          1HD       LYS   1   8.543 -29.263  21.474
   11   1HE   LYS   1          2HE       LYS   1   6.491 -28.714  20.618
   12   2HE   LYS   1          1HE       LYS   1   6.537 -30.000  19.413
   13   1HZ   LYS   1          2HZ       LYS   1   6.419 -30.937  22.136
   14   2HZ   LYS   1          1HZ       LYS   1   5.053 -30.045  21.659
   15   3HZ   LYS   1          3HZ       LYS   1   5.516 -31.419  20.780
   16    H    ASN   2           H        ASN   2  13.388 -29.858  17.070
   17    HA   ASN   2           HA       ASN   2  15.212 -31.088  19.089
   18   1HB   ASN   2          2HB       ASN   2  15.532 -30.696  16.098
   19   2HB   ASN   2          1HB       ASN   2  16.766 -31.383  17.154
   20   1HD2  ASN   2          1HD2      ASN   2  15.634 -32.928  15.027
   21   2HD2  ASN   2          2HD2      ASN   2  14.708 -34.179  15.703
   22    H    GLU   3           H        GLU   3  16.687 -29.784  20.074
   23    HA   GLU   3           HA       GLU   3  16.679 -26.960  19.752
   24   1HB   GLU   3          2HB       GLU   3  17.536 -28.198  21.765
   25   2HB   GLU   3          1HB       GLU   3  18.958 -28.649  20.824
   26   1HG   GLU   3          2HG       GLU   3  19.397 -26.212  20.426
   27   2HG   GLU   3          1HG       GLU   3  18.059 -25.836  21.512
   28    H    ASP   4           H        ASP   4  18.466 -29.475  18.100
   29    HA   ASP   4           HA       ASP   4  20.556 -27.873  16.997
   30   1HB   ASP   4          2HB       ASP   4  19.171 -30.335  15.893
   31   2HB   ASP   4          1HB       ASP   4  20.646 -29.641  15.221
   32    H    GLN   5           H        GLN   5  17.176 -28.230  16.161
   33    HA   GLN   5           HA       GLN   5  17.293 -27.164  13.505
   34   1HB   GLN   5          2HB       GLN   5  15.092 -27.114  15.590
   35   2HB   GLN   5          1HB       GLN   5  14.874 -26.575  13.925
   36   1HG   GLN   5          2HG       GLN   5  15.510 -28.801  13.102
   37   2HG   GLN   5          1HG       GLN   5  15.788 -29.347  14.756
   38   1HE2  GLN   5          1HE2      GLN   5  13.866 -30.698  13.195
   39   2HE2  GLN   5          2HE2      GLN   5  12.313 -30.345  13.782
   40    H    GLU   6           H        GLU   6  16.897 -25.612  16.685
   41    HA   GLU   6           HA       GLU   6  16.479 -22.958  15.757
   42   1HB   GLU   6          2HB       GLU   6  16.236 -23.742  18.137
   43   2HB   GLU   6          1HB       GLU   6  17.996 -23.775  18.252
   44   1HG   GLU   6          2HG       GLU   6  18.052 -21.362  17.643
   45   2HG   GLU   6          1HG       GLU   6  16.289 -21.348  17.620
   46    H    MET   7           H        MET   7  19.519 -24.650  16.580
   47    HA   MET   7           HA       MET   7  21.250 -22.458  15.966
   48   1HB   MET   7          2HB       MET   7  21.761 -25.446  15.837
   49   2HB   MET   7          1HB       MET   7  23.015 -24.209  15.763
   50   1HG   MET   7          2HG       MET   7  21.077 -24.634  18.060
   51   2HG   MET   7          1HG       MET   7  22.786 -25.070  18.060
   52   1HE   MET   7          3HE       MET   7  24.324 -23.573  16.936
   53   2HE   MET   7          2HE       MET   7  24.100 -21.851  16.642
   54   3HE   MET   7          1HE       MET   7  24.858 -22.390  18.138
   55    H    CYS   8           H        CYS   8  19.637 -24.825  13.952
   56    HA   CYS   8           HA       CYS   8  21.222 -24.630  11.607
   57   1HB   CYS   8          2HB       CYS   8  19.455 -26.286  11.759
   58   2HB   CYS   8          1HB       CYS   8  18.232 -25.025  11.920
   59    H    HIS   9           H        HIS   9  18.571 -22.575  12.780
   60    HA   HIS   9           HA       HIS   9  18.114 -20.919  10.607
   61   1HB   HIS   9          2HB       HIS   9  16.886 -20.508  12.613
   62   2HB   HIS   9          1HB       HIS   9  18.359 -20.237  13.543
   63    HD1  HIS   9           HD1      HIS   9  19.824 -18.077  12.675
   64    HD2  HIS   9           HD2      HIS   9  15.797 -18.171  11.600
   65    HE1  HIS   9           HE1      HIS   9  19.208 -15.716  12.004
   66    H    GLU  10           H        GLU  10  20.692 -20.395  13.044
   67    HA   GLU  10           HA       GLU  10  21.914 -18.188  11.775
   68   1HB   GLU  10          2HB       GLU  10  22.463 -19.046  14.069
   69   2HB   GLU  10          1HB       GLU  10  23.343 -20.374  13.312
   70   1HG   GLU  10          2HG       GLU  10  24.766 -18.701  12.124
   71   2HG   GLU  10          1HG       GLU  10  23.932 -17.415  12.996
   72    H    PHE  11           H        PHE  11  22.278 -21.657  11.142
   73    HA   PHE  11           HA       PHE  11  24.505 -21.286   9.309
   74   1HB   PHE  11          2HB       PHE  11  23.125 -23.495  10.482
   75   2HB   PHE  11          1HB       PHE  11  23.094 -23.702   8.731
   76    HD1  PHE  11           HD1      PHE  11  25.488 -22.728   7.670
   77    HD2  PHE  11           HD2      PHE  11  24.908 -24.616  11.482
   78    HE1  PHE  11           HE1      PHE  11  27.873 -23.401   7.696
   79    HE2  PHE  11           HE2      PHE  11  27.296 -25.290  11.511
   80    HZ   PHE  11           HZ       PHE  11  28.779 -24.681   9.618
   81    H    GLN  12           H        GLN  12  21.244 -20.547   9.078
   82    HA   GLN  12           HA       GLN  12  20.623 -21.342   6.402
   83   1HB   GLN  12          2HB       GLN  12  19.669 -19.011   8.088
   84   2HB   GLN  12          1HB       GLN  12  19.005 -19.386   6.498
   85   1HG   GLN  12          2HG       GLN  12  18.304 -21.588   7.257
   86   2HG   GLN  12          1HG       GLN  12  19.096 -21.343   8.814
   87   1HE2  GLN  12          1HE2      GLN  12  16.339 -21.896   8.804
   88   2HE2  GLN  12          2HE2      GLN  12  15.475 -20.499   9.233
   89    H    ALA  13           H        ALA  13  22.341 -18.543   7.718
   90    HA   ALA  13           HA       ALA  13  22.469 -16.971   5.360
   91   1HB   ALA  13          2HB       ALA  13  23.464 -16.749   7.917
   92   2HB   ALA  13          1HB       ALA  13  24.934 -16.991   6.972
   93   3HB   ALA  13          3HB       ALA  13  23.850 -15.652   6.591
   94    H    PHE  14           H        PHE  14  24.325 -19.797   6.361
   95    HA   PHE  14           HA       PHE  14  26.163 -19.527   4.071
   96   1HB   PHE  14          2HB       PHE  14  25.865 -21.687   6.177
   97   2HB   PHE  14          1HB       PHE  14  27.120 -21.661   4.939
   98    HD1  PHE  14           HD1      PHE  14  28.833 -19.855   4.924
   99    HD2  PHE  14           HD2      PHE  14  25.953 -20.225   8.090
  100    HE1  PHE  14           HE1      PHE  14  30.203 -18.355   6.346
  101    HE2  PHE  14           HE2      PHE  14  27.324 -18.725   9.512
  102    HZ   PHE  14           HZ       PHE  14  29.449 -17.790   8.640
  103    H    MET  15           H        MET  15  23.047 -20.658   4.510
  104    HA   MET  15           HA       MET  15  23.230 -23.014   2.785
  105   1HB   MET  15          2HB       MET  15  21.476 -22.832   4.524
  106   2HB   MET  15          1HB       MET  15  20.806 -21.428   3.692
  107   1HG   MET  15          2HG       MET  15  20.583 -22.921   1.635
  108   2HG   MET  15          1HG       MET  15  20.939 -24.283   2.696
  109   1HE   MET  15          1HE       MET  15  19.131 -21.297   1.938
  110   2HE   MET  15          3HE       MET  15  17.423 -21.751   2.010
  111   3HE   MET  15          2HE       MET  15  18.199 -21.004   3.404
  112    H    LYS  16           H        LYS  16  23.331 -22.911   0.603
  113    HA   LYS  16           HA       LYS  16  22.290 -20.439  -0.729
  114   1HB   LYS  16          2HB       LYS  16  24.802 -20.744  -0.787
  115   2HB   LYS  16          1HB       LYS  16  24.536 -22.211  -1.729
  116   1HG   LYS  16          2HG       LYS  16  23.374 -20.914  -3.460
  117   2HG   LYS  16          1HG       LYS  16  23.565 -19.442  -2.507
  118   1HD   LYS  16          2HD       LYS  16  26.040 -19.727  -2.631
  119   2HD   LYS  16          1HD       LYS  16  25.801 -21.134  -3.667
  120   1HE   LYS  16          2HE       LYS  16  24.307 -19.408  -5.047
  121   2HE   LYS  16          1HE       LYS  16  25.373 -18.237  -4.271
  122   1HZ   LYS  16          2HZ       LYS  16  26.327 -20.620  -5.761
  123   2HZ   LYS  16          1HZ       LYS  16  26.194 -19.067  -6.438
  124   3HZ   LYS  16          3HZ       LYS  16  27.271 -19.342  -5.157
  125    H    ASN  17           H        ASN  17  21.255 -20.765  -2.789
  126    HA   ASN  17           HA       ASN  17  19.692 -21.910  -4.125
  127   1HB   ASN  17          2HB       ASN  17  21.871 -24.013  -3.916
  128   2HB   ASN  17          1HB       ASN  17  20.583 -23.999  -5.121
  129   1HD2  ASN  17          1HD2      ASN  17  23.421 -23.807  -5.782
  130   2HD2  ASN  17          2HD2      ASN  17  23.673 -22.284  -6.488
  131    H    GLY  18           H        GLY  18  19.231 -22.112  -1.289
  132   1HA   GLY  18          1HA       GLY  18  17.301 -24.204  -1.223
  133   2HA   GLY  18          2HA       GLY  18  17.893 -23.342   0.196
  134    H    LYS  19           H        LYS  19  20.675 -24.093  -0.202
  135    HA   LYS  19           HA       LYS  19  20.484 -26.897   0.769
  136   1HB   LYS  19          2HB       LYS  19  21.116 -26.683  -1.750
  137   2HB   LYS  19          1HB       LYS  19  22.674 -26.125  -1.144
  138   1HG   LYS  19          2HG       LYS  19  22.074 -28.384   0.405
  139   2HG   LYS  19          1HG       LYS  19  21.601 -28.826  -1.235
  140   1HD   LYS  19          2HD       LYS  19  23.878 -27.868  -1.964
  141   2HD   LYS  19          1HD       LYS  19  24.308 -27.913  -0.254
  142   1HE   LYS  19          2HE       LYS  19  23.267 -30.407  -0.561
  143   2HE   LYS  19          1HE       LYS  19  23.935 -30.144  -2.171
  144   1HZ   LYS  19          1HZ       LYS  19  25.569 -29.455   0.164
  145   2HZ   LYS  19          3HZ       LYS  19  25.409 -31.090  -0.256
  146   3HZ   LYS  19          2HZ       LYS  19  26.052 -29.986  -1.376
  147    H    LEU  20           H        LEU  20  21.683 -27.128   2.600
  148    HA   LEU  20           HA       LEU  20  23.320 -24.885   3.519
  149   1HB   LEU  20          2HB       LEU  20  21.862 -26.295   5.031
  150   2HB   LEU  20          1HB       LEU  20  23.000 -27.620   4.791
  151    HG   LEU  20           HG       LEU  20  23.369 -26.184   6.876
  152   1HD1  LEU  20          2HD1      LEU  20  25.081 -27.640   5.530
  153   2HD1  LEU  20          1HD1      LEU  20  25.767 -26.080   5.074
  154   3HD1  LEU  20          3HD1      LEU  20  25.671 -26.538   6.775
  155   1HD2  LEU  20          3HD2      LEU  20  23.010 -24.069   5.288
  156   2HD2  LEU  20          2HD2      LEU  20  24.067 -23.989   6.697
  157   3HD2  LEU  20          1HD2      LEU  20  24.755 -24.230   5.092
  158    H    PHE  21           H        PHE  21  25.460 -24.685   3.104
  159    HA   PHE  21           HA       PHE  21  26.901 -26.990   1.930
  160   1HB   PHE  21          2HB       PHE  21  27.525 -24.042   2.179
  161   2HB   PHE  21          1HB       PHE  21  28.715 -25.210   1.605
  162    HD1  PHE  21           HD1      PHE  21  25.184 -24.100   1.005
  163    HD2  PHE  21           HD2      PHE  21  28.760 -25.798  -0.663
  164    HE1  PHE  21           HE1      PHE  21  24.162 -24.033  -1.253
  165    HE2  PHE  21           HE2      PHE  21  27.738 -25.731  -2.922
  166    HZ   PHE  21           HZ       PHE  21  25.439 -24.848  -3.217
  167    H    CYS  22           H        CYS  22  26.998 -28.171   3.997
  168    HA   CYS  22           HA       CYS  22  27.987 -27.417   6.438
  169   1HB   CYS  22          2HB       CYS  22  28.062 -29.875   4.863
  170   2HB   CYS  22          1HB       CYS  22  29.428 -29.747   5.970
  171    HA   PRO  23           HA       PRO  23  32.016 -25.827   5.054
  172   1HB   PRO  23          2HB       PRO  23  32.098 -23.778   6.802
  173   2HB   PRO  23          1HB       PRO  23  31.208 -23.703   5.282
  174   1HG   PRO  23          2HG       PRO  23  30.197 -23.906   8.033
  175   2HG   PRO  23          1HG       PRO  23  29.377 -23.339   6.580
  176   1HD   PRO  23          1HD       PRO  23  29.136 -25.894   7.848
  177   2HD   PRO  23          2HD       PRO  23  28.333 -25.335   6.383
  178    H    GLN  24           H        GLN  24  34.089 -25.883   6.085
  179    HA   GLN  24           HA       GLN  24  34.135 -27.510   8.557
  180   1HB   GLN  24          2HB       GLN  24  36.335 -26.646   6.655
  181   2HB   GLN  24          1HB       GLN  24  36.586 -27.669   8.070
  182   1HG   GLN  24          2HG       GLN  24  34.995 -29.323   7.151
  183   2HG   GLN  24          1HG       GLN  24  34.757 -28.303   5.733
  184   1HE2  GLN  24          1HE2      GLN  24  35.773 -30.929   5.405
  185   2HE2  GLN  24          2HE2      GLN  24  37.400 -30.840   4.930
  186    H    ASP  25           H        ASP  25  33.447 -24.559   8.468
  187    HA   ASP  25           HA       ASP  25  35.668 -23.128   9.645
  188   1HB   ASP  25          2HB       ASP  25  32.685 -22.595   9.619
  189   2HB   ASP  25          1HB       ASP  25  33.868 -21.479  10.301
  190    H    LYS  26           H        LYS  26  32.928 -24.957  10.951
  191    HA   LYS  26           HA       LYS  26  33.579 -24.242  13.713
  192   1HB   LYS  26          2HB       LYS  26  31.709 -26.332  12.555
  193   2HB   LYS  26          1HB       LYS  26  31.833 -25.940  14.271
  194   1HG   LYS  26          2HG       LYS  26  31.281 -23.556  13.701
  195   2HG   LYS  26          1HG       LYS  26  31.004 -24.065  12.035
  196   1HD   LYS  26          2HD       LYS  26  29.285 -25.680  12.860
  197   2HD   LYS  26          1HD       LYS  26  29.515 -25.045  14.489
  198   1HE   LYS  26          2HE       LYS  26  28.840 -23.225  12.177
  199   2HE   LYS  26          1HE       LYS  26  27.578 -24.056  13.088
  200   1HZ   LYS  26          3HZ       LYS  26  28.901 -23.094  15.105
  201   2HZ   LYS  26          2HZ       LYS  26  29.428 -21.955  13.960
  202   3HZ   LYS  26          1HZ       LYS  26  27.770 -22.137  14.280
  203    H    LYS  27           H        LYS  27  34.246 -25.877  15.314
  204    HA   LYS  27           HA       LYS  27  35.682 -28.208  14.142
  205   1HB   LYS  27          2HB       LYS  27  36.900 -25.863  15.321
  206   2HB   LYS  27          1HB       LYS  27  37.284 -27.296  16.274
  207   1HG   LYS  27          2HG       LYS  27  37.448 -27.680  13.349
  208   2HG   LYS  27          1HG       LYS  27  38.635 -26.557  14.014
  209   1HD   LYS  27          2HD       LYS  27  39.533 -28.197  15.472
  210   2HD   LYS  27          1HD       LYS  27  38.134 -29.253  15.280
  211   1HE   LYS  27          2HE       LYS  27  38.743 -29.720  12.971
  212   2HE   LYS  27          1HE       LYS  27  40.060 -28.550  13.045
  213   1HZ   LYS  27          3HZ       LYS  27  39.925 -30.820  14.928
  214   2HZ   LYS  27          2HZ       LYS  27  40.617 -31.001  13.387
  215   3HZ   LYS  27          1HZ       LYS  27  41.270 -29.885  14.489
  216    HA   PRO  28           HA       PRO  28  35.061 -29.226  18.816
  217   1HB   PRO  28          2HB       PRO  28  34.135 -27.282  20.453
  218   2HB   PRO  28          1HB       PRO  28  35.854 -27.545  20.148
  219   1HG   PRO  28          2HG       PRO  28  33.994 -25.542  18.916
  220   2HG   PRO  28          1HG       PRO  28  35.639 -25.306  19.517
  221   1HD   PRO  28          1HD       PRO  28  35.128 -25.592  16.891
  222   2HD   PRO  28          2HD       PRO  28  36.601 -26.228  17.621
  223    H    ILE  29           H        ILE  29  33.215 -29.855  17.102
  224    HA   ILE  29           HA       ILE  29  30.615 -29.136  18.397
  225    HB   ILE  29           HB       ILE  29  29.846 -29.876  15.889
  226   1HG1  ILE  29          2HG1      ILE  29  31.382 -28.562  14.346
  227   2HG1  ILE  29          1HG1      ILE  29  32.556 -28.545  15.662
  228   1HG2  ILE  29          1HG2      ILE  29  29.830 -27.568  17.459
  229   2HG2  ILE  29          3HG2      ILE  29  30.541 -27.047  15.932
  230   3HG2  ILE  29          2HG2      ILE  29  28.949 -27.808  15.948
  231   1HD1  ILE  29          1HD1      ILE  29  31.619 -31.217  15.428
  232   2HD1  ILE  29          3HD1      ILE  29  31.988 -30.660  13.795
  233   3HD1  ILE  29          2HD1      ILE  29  33.228 -30.605  15.047
  234    H    GLN  30           H        GLN  30  28.924 -30.875  17.869
  235    HA   GLN  30           HA       GLN  30  30.027 -33.573  17.415
  236   1HB   GLN  30          2HB       GLN  30  30.286 -33.187  19.867
  237   2HB   GLN  30          1HB       GLN  30  28.555 -32.867  19.977
  238   1HG   GLN  30          2HG       GLN  30  28.039 -35.118  19.224
  239   2HG   GLN  30          1HG       GLN  30  29.744 -35.446  18.912
  240   1HE2  GLN  30          1HE2      GLN  30  28.759 -37.253  20.612
  241   2HE2  GLN  30          2HE2      GLN  30  29.136 -36.912  22.231
  242    H    SER  31           H        SER  31  28.550 -34.630  16.153
  243    HA   SER  31           HA       SER  31  25.958 -33.382  15.668
  244   1HB   SER  31          2HB       SER  31  26.086 -34.492  13.714
  245   2HB   SER  31          1HB       SER  31  27.679 -35.052  14.224
  246    HG   SER  31           HG       SER  31  25.219 -36.356  14.263
  247    H    LEU  32           H        LEU  32  23.950 -34.156  16.237
  248    HA   LEU  32           HA       LEU  32  23.883 -35.988  18.543
  249   1HB   LEU  32          2HB       LEU  32  21.668 -34.444  17.153
  250   2HB   LEU  32          1HB       LEU  32  21.495 -35.339  18.661
  251    HG   LEU  32           HG       LEU  32  23.318 -33.877  19.633
  252   1HD1  LEU  32          2HD1      LEU  32  22.991 -32.625  16.922
  253   2HD1  LEU  32          1HD1      LEU  32  23.434 -31.618  18.298
  254   3HD1  LEU  32          3HD1      LEU  32  24.473 -32.959  17.817
  255   1HD2  LEU  32          1HD2      LEU  32  20.564 -33.276  19.074
  256   2HD2  LEU  32          3HD2      LEU  32  21.524 -32.809  20.478
  257   3HD2  LEU  32          2HD2      LEU  32  21.494 -31.779  19.046
  258    H    ASP  33           H        ASP  33  23.393 -36.111  15.146
  259    HA   ASP  33           HA       ASP  33  21.506 -38.323  15.142
  260   1HB   ASP  33          2HB       ASP  33  23.349 -37.263  12.980
  261   2HB   ASP  33          1HB       ASP  33  22.090 -38.472  12.725
  262    H    GLY  34           H        GLY  34  24.622 -38.207  16.180
  263   1HA   GLY  34          1HA       GLY  34  25.007 -41.096  15.582
  264   2HA   GLY  34          2HA       GLY  34  25.777 -40.219  16.906
  265    H    ILE  35           H        ILE  35  26.346 -37.938  15.003
  266    HA   ILE  35           HA       ILE  35  28.618 -39.223  13.537
  267    HB   ILE  35           HB       ILE  35  27.371 -36.582  12.765
  268   1HG1  ILE  35          2HG1      ILE  35  26.628 -38.939  11.161
  269   2HG1  ILE  35          1HG1      ILE  35  25.918 -38.920  12.773
  270   1HG2  ILE  35          3HG2      ILE  35  28.960 -38.680  11.257
  271   2HG2  ILE  35          2HG2      ILE  35  28.360 -37.169  10.575
  272   3HG2  ILE  35          1HG2      ILE  35  29.584 -37.139  11.844
  273   1HD1  ILE  35          3HD1      ILE  35  25.097 -36.612  12.367
  274   2HD1  ILE  35          2HD1      ILE  35  25.769 -36.675  10.737
  275   3HD1  ILE  35          1HD1      ILE  35  24.447 -37.752  11.189
  276    H    MET  36           H        MET  36  30.635 -38.125  13.637
  277    HA   MET  36           HA       MET  36  30.837 -36.195  15.899
  278   1HB   MET  36          2HB       MET  36  32.976 -37.810  14.473
  279   2HB   MET  36          1HB       MET  36  33.256 -36.744  15.850
  280   1HG   MET  36          2HG       MET  36  31.667 -38.115  17.192
  281   2HG   MET  36          1HG       MET  36  31.487 -39.210  15.821
  282   1HE   MET  36          2HE       MET  36  33.398 -40.209  14.589
  283   2HE   MET  36          1HE       MET  36  34.664 -38.990  14.705
  284   3HE   MET  36          3HE       MET  36  34.969 -40.643  15.257
  285    H    PHE  37           H        PHE  37  29.856 -35.355  13.296
  286    HA   PHE  37           HA       PHE  37  32.136 -33.663  12.361
  287   1HB   PHE  37          2HB       PHE  37  31.028 -35.227  10.696
  288   2HB   PHE  37          1HB       PHE  37  29.567 -34.254  10.872
  289    HD1  PHE  37           HD1      PHE  37  33.135 -34.168   9.836
  290    HD2  PHE  37           HD2      PHE  37  29.371 -32.098   9.841
  291    HE1  PHE  37           HE1      PHE  37  34.038 -32.521   8.217
  292    HE2  PHE  37           HE2      PHE  37  30.274 -30.452   8.222
  293    HZ   PHE  37           HZ       PHE  37  32.608 -30.663   7.410
  294    H    ILE  38           H        ILE  38  31.378 -31.449  11.546
  295    HA   ILE  38           HA       ILE  38  30.305 -29.874  13.553
  296    HB   ILE  38           HB       ILE  38  29.864 -29.457  10.580
  297   1HG1  ILE  38          2HG1      ILE  38  32.144 -28.679  12.423
  298   2HG1  ILE  38          1HG1      ILE  38  32.226 -29.794  11.058
  299   1HG2  ILE  38          2HG2      ILE  38  28.523 -28.030  12.206
  300   2HG2  ILE  38          1HG2      ILE  38  30.062 -27.401  12.796
  301   3HG2  ILE  38          3HG2      ILE  38  29.584 -27.133  11.120
  302   1HD1  ILE  38          3HD1      ILE  38  31.097 -27.277  10.203
  303   2HD1  ILE  38          2HD1      ILE  38  32.639 -26.998  11.010
  304   3HD1  ILE  38          1HD1      ILE  38  32.553 -28.087   9.626
  305    H    ASN  39           H        ASN  39  28.469 -30.409  14.636
  306    HA   ASN  39           HA       ASN  39  26.225 -31.760  13.506
  307   1HB   ASN  39          2HB       ASN  39  26.673 -31.711  15.919
  308   2HB   ASN  39          1HB       ASN  39  26.352 -29.981  15.955
  309   1HD2  ASN  39          1HD2      ASN  39  24.646 -32.812  14.473
  310   2HD2  ASN  39          2HD2      ASN  39  23.125 -32.405  15.097
  311    H    LYS  40           H        LYS  40  26.449 -28.333  14.524
  312    HA   LYS  40           HA       LYS  40  24.026 -27.398  13.699
  313   1HB   LYS  40          2HB       LYS  40  26.654 -26.013  13.118
  314   2HB   LYS  40          1HB       LYS  40  25.077 -25.231  13.225
  315   1HG   LYS  40          2HG       LYS  40  24.875 -25.998  15.576
  316   2HG   LYS  40          1HG       LYS  40  26.479 -26.723  15.464
  317   1HD   LYS  40          2HD       LYS  40  27.459 -24.518  14.995
  318   2HD   LYS  40          1HD       LYS  40  25.858 -23.781  15.062
  319   1HE   LYS  40          2HE       LYS  40  26.758 -23.404  17.220
  320   2HE   LYS  40          1HE       LYS  40  25.702 -24.800  17.433
  321   1HZ   LYS  40          1HZ       LYS  40  27.937 -26.033  16.782
  322   2HZ   LYS  40          3HZ       LYS  40  28.612 -24.645  17.484
  323   3HZ   LYS  40          2HZ       LYS  40  27.559 -25.625  18.387
  324    H    CYS  41           H        CYS  41  26.807 -27.420  11.459
  325    HA   CYS  41           HA       CYS  41  25.137 -26.918   9.170
  326   1HB   CYS  41          2HB       CYS  41  27.097 -26.930   7.961
  327   2HB   CYS  41          1HB       CYS  41  27.770 -26.717   9.570
  328    H    ALA  42           H        ALA  42  26.396 -29.833  10.683
  329    HA   ALA  42           HA       ALA  42  25.565 -31.666   8.642
  330   1HB   ALA  42          1HB       ALA  42  27.193 -32.296  10.355
  331   2HB   ALA  42          3HB       ALA  42  25.969 -32.109  11.611
  332   3HB   ALA  42          2HB       ALA  42  25.810 -33.389  10.409
  333    H    THR  43           H        THR  43  23.839 -30.246  11.405
  334    HA   THR  43           HA       THR  43  21.511 -31.992  10.775
  335    HB   THR  43           HB       THR  43  20.912 -30.166  12.882
  336    HG1  THR  43           HG1      THR  43  22.753 -29.926  13.820
  337   1HG2  THR  43          1HG2      THR  43  20.364 -32.708  12.348
  338   2HG2  THR  43          3HG2      THR  43  21.759 -32.991  13.388
  339   3HG2  THR  43          2HG2      THR  43  20.361 -32.113  14.008
  340    H    CYS  44           H        CYS  44  22.510 -28.594  10.867
  341    HA   CYS  44           HA       CYS  44  20.012 -27.412  10.253
  342   1HB   CYS  44          2HB       CYS  44  22.066 -26.125  10.834
  343   2HB   CYS  44          1HB       CYS  44  22.749 -26.547   9.264
  344    H    LYS  45           H        LYS  45  22.485 -28.844   8.128
  345    HA   LYS  45           HA       LYS  45  21.380 -28.171   5.627
  346   1HB   LYS  45          2HB       LYS  45  23.540 -29.408   5.989
  347   2HB   LYS  45          1HB       LYS  45  22.598 -30.854   6.350
  348   1HG   LYS  45          2HG       LYS  45  21.541 -30.709   4.112
  349   2HG   LYS  45          1HG       LYS  45  22.520 -29.286   3.753
  350   1HD   LYS  45          2HD       LYS  45  24.575 -30.665   4.135
  351   2HD   LYS  45          1HD       LYS  45  23.543 -32.081   4.341
  352   1HE   LYS  45          2HE       LYS  45  23.486 -30.336   1.866
  353   2HE   LYS  45          1HE       LYS  45  24.490 -31.779   2.005
  354   1HZ   LYS  45          2HZ       LYS  45  21.650 -32.002   2.677
  355   2HZ   LYS  45          1HZ       LYS  45  22.072 -31.891   1.035
  356   3HZ   LYS  45          3HZ       LYS  45  22.694 -33.150   1.986
  357    H    MET  46           H        MET  46  20.567 -30.906   7.769
  358    HA   MET  46           HA       MET  46  18.461 -31.870   6.004
  359   1HB   MET  46          2HB       MET  46  19.034 -32.454   8.928
  360   2HB   MET  46          1HB       MET  46  17.868 -33.326   7.932
  361   1HG   MET  46          2HG       MET  46  20.844 -33.115   7.375
  362   2HG   MET  46          1HG       MET  46  20.029 -34.528   8.046
  363   1HE   MET  46          3HE       MET  46  17.904 -35.210   7.213
  364   2HE   MET  46          2HE       MET  46  17.124 -34.456   5.824
  365   3HE   MET  46          1HE       MET  46  17.916 -36.019   5.640
  366    H    ILE  47           H        ILE  47  18.691 -29.662   8.726
  367    HA   ILE  47           HA       ILE  47  15.815 -29.476   9.133
  368    HB   ILE  47           HB       ILE  47  18.094 -27.678  10.014
  369   1HG1  ILE  47          2HG1      ILE  47  18.290 -29.823  11.061
  370   2HG1  ILE  47          1HG1      ILE  47  17.520 -28.770  12.247
  371   1HG2  ILE  47          3HG2      ILE  47  15.129 -27.578  10.428
  372   2HG2  ILE  47          2HG2      ILE  47  16.184 -27.095  11.757
  373   3HG2  ILE  47          1HG2      ILE  47  16.273 -26.253  10.209
  374   1HD1  ILE  47          3HD1      ILE  47  15.297 -29.651  11.121
  375   2HD1  ILE  47          2HD1      ILE  47  16.327 -30.994  10.626
  376   3HD1  ILE  47          1HD1      ILE  47  16.120 -30.626  12.339
  377    H    LEU  48           H        LEU  48  18.166 -27.933   7.058
  378    HA   LEU  48           HA       LEU  48  16.433 -25.673   6.391
  379   1HB   LEU  48          2HB       LEU  48  18.967 -26.765   5.135
  380   2HB   LEU  48          1HB       LEU  48  18.126 -25.337   4.534
  381    HG   LEU  48           HG       LEU  48  19.413 -25.726   7.243
  382   1HD1  LEU  48          3HD1      LEU  48  20.553 -24.852   4.984
  383   2HD1  LEU  48          2HD1      LEU  48  19.803 -23.340   5.495
  384   3HD1  LEU  48          1HD1      LEU  48  20.953 -24.154   6.554
  385   1HD2  LEU  48          2HD2      LEU  48  17.489 -23.590   6.294
  386   2HD2  LEU  48          1HD2      LEU  48  17.308 -24.652   7.691
  387   3HD2  LEU  48          3HD2      LEU  48  18.539 -23.390   7.697
  388    H    GLU  49           H        GLU  49  16.999 -28.915   5.196
  389    HA   GLU  49           HA       GLU  49  15.735 -28.549   2.626
  390   1HB   GLU  49          2HB       GLU  49  16.193 -31.020   4.322
  391   2HB   GLU  49          1HB       GLU  49  15.542 -31.063   2.684
  392   1HG   GLU  49          2HG       GLU  49  17.575 -29.954   1.840
  393   2HG   GLU  49          1HG       GLU  49  18.223 -29.885   3.479
  394    H    LYS  50           H        LYS  50  14.566 -29.286   5.863
  395    HA   LYS  50           HA       LYS  50  11.966 -30.217   5.199
  396   1HB   LYS  50          2HB       LYS  50  12.876 -28.565   7.576
  397   2HB   LYS  50          1HB       LYS  50  11.325 -29.399   7.466
  398   1HG   LYS  50          2HG       LYS  50  12.541 -31.552   7.157
  399   2HG   LYS  50          1HG       LYS  50  14.067 -30.694   7.367
  400   1HD   LYS  50          2HD       LYS  50  13.292 -29.942   9.617
  401   2HD   LYS  50          1HD       LYS  50  11.830 -30.906   9.405
  402   1HE   LYS  50          2HE       LYS  50  13.809 -32.725   8.807
  403   2HE   LYS  50          1HE       LYS  50  14.564 -31.766  10.080
  404   1HZ   LYS  50          3HZ       LYS  50  12.066 -32.124  11.020
  405   2HZ   LYS  50          2HZ       LYS  50  12.347 -33.600  10.226
  406   3HZ   LYS  50          1HZ       LYS  50  13.405 -33.073  11.447
  407    H    GLU  51           H        GLU  51  13.274 -26.938   5.449
  408    HA   GLU  51           HA       GLU  51  10.822 -25.506   5.309
  409   1HB   GLU  51          2HB       GLU  51  13.559 -24.786   4.215
  410   2HB   GLU  51          1HB       GLU  51  12.213 -23.656   4.363
  411   1HG   GLU  51          2HG       GLU  51  12.136 -24.121   6.810
  412   2HG   GLU  51          1HG       GLU  51  13.543 -25.169   6.632
  413    H    ALA  52           H        ALA  52  12.792 -27.019   2.796
  414    HA   ALA  52           HA       ALA  52  11.470 -25.855   0.541
  415   1HB   ALA  52          2HB       ALA  52  12.940 -28.473   0.921
  416   2HB   ALA  52          1HB       ALA  52  12.287 -27.971  -0.639
  417   3HB   ALA  52          3HB       ALA  52  13.532 -27.002   0.149
  418    H    LYS  53           H        LYS  53  10.597 -28.458   2.711
  419    HA   LYS  53           HA       LYS  53   8.652 -29.768   1.094
  420   1HB   LYS  53          2HB       LYS  53   8.723 -29.359   4.100
  421   2HB   LYS  53          1HB       LYS  53   7.653 -30.486   3.266
  422   1HG   LYS  53          2HG       LYS  53   9.658 -31.617   2.302
  423   2HG   LYS  53          1HG       LYS  53  10.686 -30.538   3.246
  424   1HD   LYS  53          2HD       LYS  53   9.564 -31.366   5.323
  425   2HD   LYS  53          1HD       LYS  53   8.665 -32.519   4.337
  426   1HE   LYS  53          2HE       LYS  53  11.325 -32.859   3.545
  427   2HE   LYS  53          1HE       LYS  53  11.413 -32.663   5.295
  428   1HZ   LYS  53          1HZ       LYS  53   9.243 -34.340   4.481
  429   2HZ   LYS  53          3HZ       LYS  53  10.743 -34.946   3.973
  430   3HZ   LYS  53          2HZ       LYS  53  10.469 -34.632   5.620
  431    H    SER  54           H        SER  54   8.518 -26.796   2.981
  432    HA   SER  54           HA       SER  54   5.695 -26.440   3.022
  433   1HB   SER  54          2HB       SER  54   7.802 -24.273   2.769
  434   2HB   SER  54          1HB       SER  54   6.166 -24.082   3.398
  435    HG   SER  54           HG       SER  54   8.371 -25.411   4.523
  436    H    GLN  55           H        GLN  55   8.061 -25.980   0.479
  437    HA   GLN  55           HA       GLN  55   5.837 -25.090  -1.316
  438   1HB   GLN  55          2HB       GLN  55   8.777 -24.349  -1.399
  439   2HB   GLN  55          1HB       GLN  55   7.617 -23.947  -2.666
  440   1HG   GLN  55          2HG       GLN  55   6.263 -22.689  -1.035
  441   2HG   GLN  55          1HG       GLN  55   7.407 -23.103   0.242
  442   1HE2  GLN  55          1HE2      GLN  55   6.897 -20.371  -0.471
  443   2HE2  GLN  55          2HE2      GLN  55   8.304 -19.729  -1.172

  No H/Q in entry =         443