*HEADER    PUTATIVE SERINE PROTEINASE INHIBITOR    16-NOV-00   1HDL
*TITLE     LEKTI DOMAIN ONE
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: SERINE PROTEINASE INHIBITOR LEKTI;
*COMPND   3 CHAIN: A;
*COMPND   4 SYNONYM: HF6478;
*COMPND   5 FRAGMENT: LEKTI DOMAIN ONE;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 OTHER_DETAILS: DISULFIDE BRIDGES BETWEEN CYS 8 AND CYS 44,
*COMPND   8  AND BETWEEN CYS 21 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 (DE3);
*SOURCE   7 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET32A
*KEYWDS    PUTATIVE SERINE PROTEINASE INHIBITOR
*EXPDTA    NMR, 21 STRUCTURES
*AUTHOR    T.LAUBER,K.ADERMANN,A.SCHULZ,W.-G.FORSSMANN,P.ROESCH,
*AUTHOR   2 U.C.MARX
*REVDAT   1   17-NOV-00 1HDL    0




!all experimental restraints were obtained from 1H-15N-NOESY-HSQC- and 2D-NOESY-NMR-spectra
assign (resid   3 and name HN) (resid   3 and name HA)  0.0 0.0 3.5  !   3 HA   (  4.220) (0.00 A)
assign (resid   4 and name HN) (resid   4 and name HA)  0.0 0.0 3.5  !   4 HA   (  4.458) (0.00 A)
assign (resid   5 and name HN) (resid   5 and name HA)  0.0 0.0 3.5  !   5 HA   (  4.102) (0.00 A)
assign (resid   6 and name HN) (resid   6 and name HA)  0.0 0.0 3.5  !   6 HA   (  4.116) (0.00 A)
assign (resid   7 and name HN) (resid   7 and name HA)  0.0 0.0 3.5  !   7 HA   (  4.353) (0.00 A)
assign (resid  11 and name HN) (resid  11 and name HA)  0.0 0.0 3.5  !  11 HA   (  4.729) (0.00 A)
assign (resid  11 and name HN) (resid  11 and name HB1)  0.0 0.0 3.5  !  11 HB1  (  3.629) (0.00 A)
assign (resid  11 and name HN) (resid  11 and name HB2)  0.0 0.0 2.7  !  11 HB2  (  2.719) (0.00 A)
assign (resid  11 and name HN) (resid  11 and name HD*)  0.0 0.0 3.5  !  11 HD*  (  7.105) (0.00 A)
assign (resid  11 and name HN) (resid  11 and name HE*)  0.0 0.0 5.0  !  11 HE*  (  6.577) (0.00 A)
assign (resid  12 and name HE21) (resid  12 and name HE22)  0.0 0.0 2.7  !  12 HE22 (  6.821) (0.00 A)
assign (resid  12 and name HE21) (resid  12 and name HG*)  0.0 0.0 3.5  !  12 HG*  (  2.469) (0.00 A)
assign (resid  12 and name HE22) (resid  12 and name HG*)  0.0 0.0 5.0  !  12 HG*  (  2.469) (0.00 A)
assign (resid  12 and name HN) (resid  12 and name HA)  0.0 0.0 3.5  !  12 HA   (  3.873) (0.00 A)
assign (resid  13 and name HN) (resid  13 and name HA)  0.0 0.0 3.5  !  13 HA   (  4.108) (0.00 A)
assign (resid  14 and name HN) (resid  14 and name HA)  0.0 0.0 3.5  !  14 HA   (  4.792) (0.00 A)
assign (resid  14 and name HN) (resid  14 and name HB1)  0.0 0.0 3.5  !  14 HB1  (  3.971) (0.00 A)
assign (resid  14 and name HN) (resid  14 and name HB2)  0.0 0.0 2.7  !  14 HB2  (  2.961) (0.00 A)
assign (resid  15 and name HN) (resid  15 and name HA)  0.0 0.0 3.5  !  15 HA   (  5.177) (0.00 A)
assign (resid  15 and name HN) (resid  15 and name HB1)  0.0 0.0 2.7  !  15 HB1  (  2.136) (0.00 A)
assign (resid  15 and name HN) (resid  15 and name HB2)  0.0 0.0 3.5  !  15 HB2  (  1.998) (0.00 A)
assign (resid  15 and name HN) (resid  15 and name HE*)  0.0 0.0 5.0  !  15 HE*  (  1.767) (0.00 A)
assign (resid  15 and name HN) (resid  15 and name HG1)  0.0 0.0 3.5  !  15 HG1  (  2.684) (0.00 A)
assign (resid  15 and name HN) (resid  15 and name HG2)  0.0 0.0 2.7  !  15 HG2  (  2.380) (0.00 A)
assign (resid  16 and name HN) (resid  16 and name HA)  0.0 0.0 3.5  !  16 HA   (  4.565) (0.00 A)
assign (resid  17 and name HD21) (resid  17 and name HA)  0.0 0.0 5.0  !  17 HA   (  4.407) (0.00 A)
assign (resid  17 and name HD21) (resid  17 and name HB1)  0.0 0.0 5.0  !  17 HB1  (  3.114) (0.00 A)
assign (resid  17 and name HD21) (resid  17 and name HB2)  0.0 0.0 3.5  !  17 HB2  (  2.842) (0.00 A)
assign (resid  17 and name HD21) (resid  17 and name HD22)  0.0 0.0 2.7  !  17 HD22 (  6.970) (0.00 A)
assign (resid  17 and name HD21) (resid  17 and name HN)  0.0 0.0 5.0  !  17 HN   (  9.558) (0.00 A)
assign (resid  17 and name HD22) (resid  17 and name HB1)  0.0 0.0 5.0  !  17 HB1  (  3.114) (0.00 A)
assign (resid  17 and name HD22) (resid  17 and name HB2)  0.0 0.0 3.5  !  17 HB2  (  2.842) (0.00 A)
assign (resid  17 and name HN) (resid  17 and name HA)  0.0 0.0 2.7  !  17 HA   (  4.407) (0.00 A)
assign (resid  17 and name HN) (resid  17 and name HB1)  0.0 0.0 5.0  !  17 HB1  (  3.114) (0.00 A)
assign (resid  17 and name HN) (resid  17 and name HB2)  0.0 0.0 3.5  !  17 HB2  (  2.842) (0.00 A)
assign (resid  18 and name HN) (resid  18 and name HA1)  0.0 0.0 3.5  !  18 HA1  (  4.146) (0.00 A)
assign (resid  18 and name HN) (resid  18 and name HA2)  0.0 0.0 2.7  !  18 HA2  (  3.528) (0.00 A)
assign (resid  19 and name HN) (resid  19 and name HA)  0.0 0.0 3.5  !  19 HA   (  4.663) (0.00 A)
assign (resid  19 and name HN) (resid  19 and name HB1)  0.0 0.0 2.7  !  19 HB1  (  1.758) (0.00 A)
assign (resid  19 and name HN) (resid  19 and name HB2)  0.0 0.0 3.5  !  19 HB2  (  1.370) (0.00 A)
assign (resid  21 and name HN) (resid  21 and name HA)  0.0 0.0 3.5  !  21 HA   (  4.640) (0.00 A)
assign (resid  21 and name HN) (resid  21 and name HD*)  0.0 0.0 3.5  !  21 HD*  (  7.372) (0.00 A)
assign (resid  22 and name HN) (resid  22 and name HA)  0.0 0.0 3.5  !  22 HA   (  4.299) (0.00 A)
assign (resid  24 and name HE21) (resid  24 and name HA)  0.0 0.0 5.0  !  24 HA   (  4.578) (0.00 A)
assign (resid  24 and name HN) (resid  24 and name HA)  0.0 0.0 3.5  !  24 HA   (  4.578) (0.00 A)
assign (resid  25 and name HN) (resid  25 and name HA)  0.0 0.0 3.5  !  25 HA   (  4.526) (0.00 A)
assign (resid  26 and name HN) (resid  26 and name HA)  0.0 0.0 3.5  !  26 HA   (  4.159) (0.00 A)
assign (resid  27 and name HN) (resid  27 and name HA)  0.0 0.0 3.5  !  27 HA   (  4.096) (0.00 A)
assign (resid  27 and name HN) (resid  27 and name HB1)  0.0 0.0 3.5  !  27 HB1  (  1.679) (0.00 A)
assign (resid  27 and name HN) (resid  27 and name HB2)  0.0 0.0 2.7  !  27 HB2  (  1.539) (0.00 A)
assign (resid  27 and name HN) (resid  27 and name HG1)  0.0 0.0 3.5  !  27 HG1  (  0.992) (0.00 A)
assign (resid  27 and name HN) (resid  27 and name HG2)  0.0 0.0 5.0  !  27 HG2  (  0.757) (0.00 A)
assign (resid  28 and name HN) (resid  28 and name HA)  0.0 0.0 3.5  !  28 HA   (  4.227) (0.00 A)
assign (resid  28 and name HN) (resid  28 and name HB1)  0.0 0.0 3.5  !  28 HB1  (  2.997) (0.00 A)
assign (resid  28 and name HN) (resid  28 and name HB2)  0.0 0.0 2.7  !  28 HB2  (  2.607) (0.00 A)
assign (resid  29 and name HN) (resid  29 and name HA)  0.0 0.0 3.5  !  29 HA   (  4.566) (0.00 A)
assign (resid  29 and name HN) (resid  29 and name HB1)  0.0 0.0 3.5  !  29 HB1  (  3.416) (0.00 A)
assign (resid  29 and name HN) (resid  29 and name HB2)  0.0 0.0 2.7  !  29 HB2  (  2.956) (0.00 A)
assign (resid  30 and name HE21) (resid  30 and name HG1)  0.0 0.0 5.0  !  30 HG1  (  2.475) (0.00 A)
assign (resid  30 and name HE22) (resid  30 and name HG1)  0.0 0.0 3.5  !  30 HG1  (  2.475) (0.00 A)
assign (resid  30 and name HN) (resid  30 and name HA)  0.0 0.0 3.5  !  30 HA   (  4.402) (0.00 A)
assign (resid  30 and name HN) (resid  30 and name HG1)  0.0 0.0 2.7  !  30 HG1  (  2.475) (0.00 A)
assign (resid  30 and name HN) (resid  30 and name HG2)  0.0 0.0 3.5  !  30 HG2  (  2.354) (0.00 A)
assign (resid  31 and name HN) (resid  31 and name HA)  0.0 0.0 3.5  !  31 HA   (  4.769) (0.00 A)
assign (resid  34 and name HN) (resid  34 and name HA1)  0.0 0.0 3.5  !  34 HA1  (  4.419) (0.00 A)
assign (resid  34 and name HN) (resid  34 and name HA2)  0.0 0.0 3.5  !  34 HA2  (  3.967) (0.00 A)
assign (resid  35 and name HN) (resid  35 and name HA)  0.0 0.0 3.5  !  35 HA   (  3.615) (0.00 A)
assign (resid  35 and name HN) (resid  35 and name HB)  0.0 0.0 2.7  !  35 HB   (  1.952) (0.00 A)
assign (resid  36 and name HN) (resid  36 and name HA)  0.0 0.0 3.5  !  36 HA   (  4.253) (0.00 A)
assign (resid  36 and name HN) (resid  36 and name HB1)  0.0 0.0 2.7  !  36 HB1  (  2.299) (0.00 A)
assign (resid  36 and name HN) (resid  36 and name HB2)  0.0 0.0 3.5  !  36 HB2  (  2.190) (0.00 A)
assign (resid  37 and name HN) (resid  37 and name HA)  0.0 0.0 3.5  !  37 HA   (  4.402) (0.00 A)
assign (resid  37 and name HN) (resid  37 and name HB1)  0.0 0.0 2.7  !  37 HB1  (  3.453) (0.00 A)
assign (resid  37 and name HN) (resid  37 and name HB2)  0.0 0.0 3.5  !  37 HB2  (  3.342) (0.00 A)
assign (resid  38 and name HN) (resid  38 and name HA)  0.0 0.0 3.5  !  38 HA   (  3.491) (0.00 A)
assign (resid  38 and name HN) (resid  38 and name HB)  0.0 0.0 3.5  !  38 HB   (  1.940) (0.00 A)
assign (resid  39 and name HN) (resid  39 and name HA)  0.0 0.0 3.5  !  39 HA   (  4.450) (0.00 A)
assign (resid  40 and name HN) (resid  40 and name HA)  0.0 0.0 3.5  !  40 HA   (  3.944) (0.00 A)
assign (resid  41 and name HN) (resid  41 and name HA)  0.0 0.0 3.5  !  41 HA   (  3.516) (0.00 A)
assign (resid  41 and name HN) (resid  41 and name HB1)  0.0 0.0 3.5  !  41 HB1  (  2.865) (0.00 A)
assign (resid  41 and name HN) (resid  41 and name HB2)  0.0 0.0 2.7  !  41 HB2  (  2.190) (0.00 A)
assign (resid  42 and name HN) (resid  42 and name HA)  0.0 0.0 3.5  !  42 HA   (  3.841) (0.00 A)
assign (resid  43 and name HN) (resid  43 and name HA)  0.0 0.0 3.5  !  43 HA   (  3.955) (0.00 A)
assign (resid  43 and name HN) (resid  43 and name HB)  0.0 0.0 2.7  !  43 HB   (  4.263) (0.00 A)
assign (resid  44 and name HN) (resid  44 and name HA)  0.0 0.0 3.5  !  44 HA   (  4.450) (0.00 A)
assign (resid  45 and name HN) (resid  45 and name HA)  0.0 0.0 3.5  !  45 HA   (  3.767) (0.00 A)
assign (resid  46 and name HN) (resid  46 and name HA)  0.0 0.0 3.5  !  46 HA   (  4.206) (0.00 A)
assign (resid  46 and name HN) (resid  46 and name HG1)  0.0 0.0 3.5  !  46 HG1  (  2.697) (0.00 A)
assign (resid  46 and name HN) (resid  46 and name HG2)  0.0 0.0 2.7  !  46 HG2  (  2.609) (0.00 A)
assign (resid  47 and name HN) (resid  47 and name HA)  0.0 0.0 3.5  !  47 HA   (  3.796) (0.00 A)
assign (resid  47 and name HN) (resid  47 and name HB)  0.0 0.0 2.7  !  47 HB   (  1.977) (0.00 A)
assign (resid  47 and name HN) (resid  47 and name HG11)  0.0 0.0 2.7  !  47 HG11 (  1.700) (0.00 A)
assign (resid  47 and name HN) (resid  47 and name HG12)  0.0 0.0 3.5  !  47 HG12 (  1.201) (0.00 A)
assign (resid  49 and name HN) (resid  49 and name HA)  0.0 0.0 3.5  !  49 HA   (  4.117) (0.00 A)
assign (resid  49 and name HN) (resid  49 and name HG1)  0.0 0.0 2.7  !  49 HG1  (  2.671) (0.00 A)
assign (resid  49 and name HN) (resid  49 and name HG2)  0.0 0.0 3.5  !  49 HG2  (  2.468) (0.00 A)
assign (resid  50 and name HN) (resid  50 and name HA)  0.0 0.0 3.5  !  50 HA   (  4.214) (0.00 A)
assign (resid  51 and name HN) (resid  51 and name HA)  0.0 0.0 3.5  !  51 HA   (  4.215) (0.00 A)
assign (resid  52 and name HN) (resid  52 and name HA)  0.0 0.0 3.5  !  52 HA   (  4.238) (0.00 A)
assign (resid  53 and name HN) (resid  53 and name HA)  0.0 0.0 3.5  !  53 HA   (  4.330) (0.00 A)
assign (resid  54 and name HN) (resid  54 and name HA)  0.0 0.0 3.5  !  54 HA   (  4.463) (0.00 A)
assign (resid  55 and name HN) (resid  55 and name HA)  0.0 0.0 3.5  !  55 HA   (  4.196) (0.00 A)
assign (resid   3 and name HN) (resid   2 and name HA)  0.0 0.0 2.7  !   2 HA   (  4.698) (0.00 A)
assign (resid   3 and name HN) (resid   2 and name HB1)  0.0 0.0 5.0  !   2 HB1  (  2.901) (0.00 A)
assign (resid   3 and name HN) (resid   2 and name HB2)  0.0 0.0 5.0  !   2 HB2  (  2.841) (0.00 A)
assign (resid   4 and name HN) (resid   3 and name HA)  0.0 0.0 3.5  !   3 HA   (  4.220) (0.00 A)
assign (resid   4 and name HN) (resid   3 and name HN)  0.0 0.0 3.5  !   3 HN   (  8.949) (0.00 A)
assign (resid   7 and name HN) (resid   6 and name HB*)  0.0 0.0 5.0  !   6 HB*  (  2.065) (0.00 A)
assign (resid  12 and name HN) (resid  11 and name HA)  0.0 0.0 5.0  !  11 HA   (  4.729) (0.00 A)
assign (resid  12 and name HN) (resid  11 and name HB1)  0.0 0.0 5.0  !  11 HB1  (  3.629) (0.00 A)
assign (resid  12 and name HN) (resid  11 and name HB2)  0.0 0.0 5.0  !  11 HB2  (  2.719) (0.00 A)
assign (resid  12 and name HN) (resid  11 and name HD*)  0.0 0.0 5.0  !  11 HD*  (  7.105) (0.00 A)
assign (resid  12 and name HN) (resid  13 and name HN)  0.0 0.0 3.5  !  13 HN   (  8.022) (0.00 A)
assign (resid  13 and name HN) (resid  12 and name HA)  0.0 0.0 5.0  !  12 HA   (  3.873) (0.00 A)
assign (resid  13 and name HN) (resid  12 and name HB*)  0.0 0.0 3.5  !  12 HB*  (  2.105) (0.00 A)
assign (resid  13 and name HN) (resid  12 and name HG*)  0.0 0.0 5.0  !  12 HG*  (  2.469) (0.00 A)
assign (resid  13 and name HN) (resid  12 and name HN)  0.0 0.0 3.5  !  12 HN   (  7.563) (0.00 A)
assign (resid  13 and name HN) (resid  14 and name HN)  0.0 0.0 3.5  !  14 HN   (  7.713) (0.00 A)
assign (resid  14 and name HN) (resid  13 and name HA)  0.0 0.0 5.0  !  13 HA   (  4.108) (0.00 A)
assign (resid  14 and name HN) (resid  13 and name HB*)  0.0 0.0 3.5  !  13 HB*  (  1.029) (0.00 A)
assign (resid  14 and name HN) (resid  13 and name HN)  0.0 0.0 2.7  !  13 HN   (  8.022) (0.00 A)
assign (resid  14 and name HN) (resid  15 and name HN)  0.0 0.0 2.7  !  15 HN   (  7.450) (0.00 A)
assign (resid  15 and name HN) (resid  14 and name HA)  0.0 0.0 3.5  !  14 HA   (  4.792) (0.00 A)
assign (resid  15 and name HN) (resid  14 and name HB2)  0.0 0.0 5.0  !  14 HB2  (  2.961) (0.00 A)
assign (resid  15 and name HN) (resid  16 and name HN)  0.0 0.0 5.0  !  16 HN   (  9.506) (0.00 A)
assign (resid  16 and name HN) (resid  15 and name HA)  0.0 0.0 2.7  !  15 HA   (  5.177) (0.00 A)
assign (resid  16 and name HN) (resid  15 and name HB1)  0.0 0.0 5.0  !  15 HB1  (  2.136) (0.00 A)
assign (resid  16 and name HN) (resid  15 and name HB2)  0.0 0.0 5.0  !  15 HB2  (  1.998) (0.00 A)
assign (resid  16 and name HN) (resid  15 and name HG1)  0.0 0.0 5.0  !  15 HG1  (  2.684) (0.00 A)
assign (resid  16 and name HN) (resid  15 and name HG2)  0.0 0.0 5.0  !  15 HG2  (  2.380) (0.00 A)
assign (resid  16 and name HN) (resid  15 and name HN)  0.0 0.0 5.0  !  15 HN   (  7.450) (0.00 A)
assign (resid  17 and name HD21) (resid  16 and name HG*)  0.0 0.0 5.0  !  16 HG*  (  1.389) (0.00 A)
assign (resid  17 and name HN) (resid  16 and name HA)  0.0 0.0 2.7  !  16 HA   (  4.565) (0.00 A)
assign (resid  17 and name HN) (resid  16 and name HB*)  0.0 0.0 5.0  !  16 HB*  (  1.844) (0.00 A)
assign (resid  17 and name HN) (resid  16 and name HG*)  0.0 0.0 5.0  !  16 HG*  (  1.389) (0.00 A)
assign (resid  17 and name HN) (resid  18 and name HN)  0.0 0.0 3.5  !  18 HN   (  8.786) (0.00 A)
assign (resid  18 and name HN) (resid  17 and name HA)  0.0 0.0 2.7  !  17 HA   (  4.407) (0.00 A)
assign (resid  18 and name HN) (resid  17 and name HB1)  0.0 0.0 5.0  !  17 HB1  (  3.114) (0.00 A)
assign (resid  18 and name HN) (resid  17 and name HB2)  0.0 0.0 5.0  !  17 HB2  (  2.842) (0.00 A)
assign (resid  18 and name HN) (resid  19 and name HN)  0.0 0.0 3.5  !  19 HN   (  7.713) (0.00 A)
assign (resid  19 and name HN) (resid  18 and name HA1)  0.0 0.0 3.5  !  18 HA1  (  4.146) (0.00 A)
assign (resid  19 and name HN) (resid  18 and name HA2)  0.0 0.0 3.5  !  18 HA2  (  3.528) (0.00 A)
assign (resid  19 and name HN) (resid  18 and name HN)  0.0 0.0 3.5  !  18 HN   (  8.786) (0.00 A)
assign (resid  21 and name HN) (resid  20 and name HA)  0.0 0.0 2.7  !  20 HA   (  4.520) (0.00 A)
assign (resid  21 and name HN) (resid  20 and name HB1)  0.0 0.0 5.0  !  20 HB1  (  1.727) (0.00 A)
assign (resid  21 and name HN) (resid  20 and name HB2)  0.0 0.0 5.0  !  20 HB2  (  1.272) (0.00 A)
assign (resid  21 and name HN) (resid  20 and name HD1*)  0.0 0.0 2.7  !  20 HD1* (  0.914) (0.00 A)
assign (resid  21 and name HN) (resid  20 and name HD2*)  0.0 0.0 5.0  !  20 HD2* (  0.697) (0.00 A)
assign (resid  21 and name HN) (resid  20 and name HG)  0.0 0.0 5.0  !  20 HG   (  1.424) (0.00 A)
assign (resid  22 and name HN) (resid  21 and name HA)  0.0 0.0 2.7  !  21 HA   (  4.640) (0.00 A)
assign (resid  22 and name HN) (resid  21 and name HB*)  0.0 0.0 5.0  !  21 HB*  (  3.082) (0.00 A)
assign (resid  22 and name HN) (resid  21 and name HD*)  0.0 0.0 5.0  !  21 HD*  (  7.372) (0.00 A)
assign (resid  24 and name HN) (resid  23 and name HA)  0.0 0.0 2.7  !  23 HA   (  4.355) (0.00 A)
assign (resid  24 and name HN) (resid  23 and name HD2)  0.0 0.0 5.0  !  23 HD2  (  2.981) (0.00 A)
assign (resid  24 and name HN) (resid  25 and name HN)  0.0 0.0 3.5  !  25 HN   (  7.984) (0.00 A)
assign (resid  25 and name HN) (resid  24 and name HN)  0.0 0.0 3.5  !  24 HN   (  8.514) (0.00 A)
assign (resid  26 and name HN) (resid  25 and name HA)  0.0 0.0 2.7  !  25 HA   (  4.526) (0.00 A)
assign (resid  26 and name HN) (resid  25 and name HB*)  0.0 0.0 5.0  !  25 HB*  (  2.682) (0.00 A)
assign (resid  26 and name HN) (resid  25 and name HN)  0.0 0.0 5.0  !  25 HN   (  7.984) (0.00 A)
assign (resid  27 and name HN) (resid  26 and name HB*)  0.0 0.0 3.5  !  26 HB*  (  1.890) (0.00 A)
assign (resid  27 and name HN) (resid  28 and name HN)  0.0 0.0 3.5  !  28 HN   (  7.721) (0.00 A)
assign (resid  28 and name HN) (resid  27 and name HA)  0.0 0.0 5.0  !  27 HA   (  4.096) (0.00 A)
assign (resid  28 and name HN) (resid  27 and name HB1)  0.0 0.0 5.0  !  27 HB1  (  1.679) (0.00 A)
assign (resid  28 and name HN) (resid  27 and name HB2)  0.0 0.0 5.0  !  27 HB2  (  1.539) (0.00 A)
assign (resid  28 and name HN) (resid  27 and name HD*)  0.0 0.0 5.0  !  27 HD*  (  1.425) (0.00 A)
assign (resid  28 and name HN) (resid  27 and name HG1)  0.0 0.0 5.0  !  27 HG1  (  0.992) (0.00 A)
assign (resid  28 and name HN) (resid  29 and name HN)  0.0 0.0 3.5  !  29 HN   (  7.523) (0.00 A)
assign (resid  29 and name HN) (resid  28 and name HA)  0.0 0.0 3.5  !  28 HA   (  4.227) (0.00 A)
assign (resid  29 and name HN) (resid  28 and name HB2)  0.0 0.0 5.0  !  28 HB2  (  2.607) (0.00 A)
assign (resid  29 and name HN) (resid  28 and name HN)  0.0 0.0 3.5  !  28 HN   (  7.721) (0.00 A)
assign (resid  30 and name HN) (resid  29 and name HA)  0.0 0.0 3.5  !  29 HA   (  4.566) (0.00 A)
assign (resid  30 and name HN) (resid  29 and name HB1)  0.0 0.0 5.0  !  29 HB1  (  3.416) (0.00 A)
assign (resid  30 and name HN) (resid  29 and name HB2)  0.0 0.0 5.0  !  29 HB2  (  2.956) (0.00 A)
assign (resid  30 and name HN) (resid  31 and name HN)  0.0 0.0 2.7  !  31 HN   (  7.719) (0.00 A)
assign (resid  31 and name HN) (resid  30 and name HA)  0.0 0.0 3.5  30 HA   (  4.402) (0.00 A)
assign (resid  31 and name HN) (resid  30 and name HB*)  0.0 0.0 5.0  !  30 HB*  (  2.069) (0.00 A)
assign (resid  31 and name HN) (resid  30 and name HG1)  0.0 0.0 5.0  !  30 HG1  (  2.475) (0.00 A)
assign (resid  31 and name HN) (resid  30 and name HG2)  0.0 0.0 5.0  !  30 HG2  (  2.354) (0.00 A)
assign (resid  31 and name HN) (resid  30 and name HN)  0.0 0.0 3.5  !  30 HN   (  7.567) (0.00 A)
assign (resid  31 and name HN) (resid  32 and name HN)  0.0 0.0 5.0  !  32 HN   (  8.831) (0.00 A)
assign (resid  33 and name HN) (resid  32 and name HA)  0.0 0.0 3.5  !  32 HA   (  4.195) (0.00 A)
assign (resid  33 and name HN) (resid  32 and name HB*)  0.0 0.0 2.7  !  32 HB*  (  1.729) (0.00 A)
assign (resid  33 and name HN) (resid  32 and name HD2*)  0.0 0.0 5.0  !  32 HD2* (  0.944) (0.00 A)
assign (resid  33 and name HN) (resid  32 and name HN)  0.0 0.0 3.5  !  32 HN   (  8.831) (0.00 A)
assign (resid  33 and name HN) (resid  34 and name HN)  0.0 0.0 3.5  !  34 HN   (  8.096) (0.00 A)
assign (resid  34 and name HN) (resid  33 and name HB*)  0.0 0.0 2.7  !  33 HB*  (  2.616) (0.00 A)
assign (resid  34 and name HN) (resid  33 and name HN)  0.0 0.0 2.7  !  33 HN   (  8.494) (0.00 A)
assign (resid  35 and name HN) (resid  34 and name HA1)  0.0 0.0 3.5  !  34 HA1  (  4.419) (0.00 A)
assign (resid  35 and name HN) (resid  34 and name HA2)  0.0 0.0 3.5  !  34 HA2  (  3.967) (0.00 A)
assign (resid  36 and name HN) (resid  35 and name HA)  0.0 0.0 3.5  !  35 HA   (  3.615) (0.00 A)
assign (resid  36 and name HN) (resid  35 and name HB)  0.0 0.0 3.5  !  35 HB   (  1.952) (0.00 A)
assign (resid  36 and name HN) (resid  35 and name HG*)  0.0 0.0 5.0  !  35 HG*  (  1.154) (0.00 A)
assign (resid  36 and name HN) (resid  35 and name HN)  0.0 0.0 2.7  !  35 HN   (  8.052) (0.00 A)
assign (resid  37 and name HN) (resid  36 and name HA)  0.0 0.0 5.0  !  36 HA   (  4.253) (0.00 A)
assign (resid  37 and name HN) (resid  36 and name HB1)  0.0 0.0 3.5  !  36 HB1  (  2.299) (0.00 A)
assign (resid  37 and name HN) (resid  36 and name HB2)  0.0 0.0 3.5  !  36 HB2  (  2.190) (0.00 A)
assign (resid  37 and name HN) (resid  36 and name HG1)  0.0 0.0 5.0  !  36 HG1  (  2.819) (0.00 A)
assign (resid  37 and name HN) (resid  36 and name HG2)  0.0 0.0 5.0  !  36 HG2  (  2.667) (0.00 A)
assign (resid  37 and name HN) (resid  36 and name HN)  0.0 0.0 3.5  !  36 HN   (  8.358) (0.00 A)
assign (resid  38 and name HN) (resid  37 and name HA)  0.0 0.0 5.0  !  37 HA   (  4.402) (0.00 A)
assign (resid  38 and name HN) (resid  37 and name HB2)  0.0 0.0 5.0  !  37 HB2  (  3.342) (0.00 A)
assign (resid  38 and name HN) (resid  37 and name HN)  0.0 0.0 3.5  !  37 HN   (  8.014) (0.00 A)
assign (resid  38 and name HN) (resid  37 and name HZ)  0.0 0.0 5.0  !  37 HZ   (  7.082) (0.00 A)
assign (resid  38 and name HN) (resid  39 and name HN)  0.0 0.0 3.5  !  39 HN   (  8.449) (0.00 A)
assign (resid  39 and name HN) (resid  38 and name HA)  0.0 0.0 3.5  !  38 HA   (  3.491) (0.00 A)
assign (resid  39 and name HN) (resid  38 and name HB)  0.0 0.0 3.5  !  38 HB   (  1.940) (0.00 A)
assign (resid  39 and name HN) (resid  38 and name HG11)  0.0 0.0 5.0  !  38 HG11 (  1.408) (0.00 A)
assign (resid  39 and name HN) (resid  38 and name HG12)  0.0 0.0 5.0  !  38 HG12 (  1.185) (0.00 A)
assign (resid  39 and name HN) (resid  38 and name HG2*)  0.0 0.0 5.0  !  38 HG2* (  0.829) (0.00 A)
assign (resid  40 and name HN) (resid  39 and name HA)  0.0 0.0 3.5  !  39 HA   (  4.450) (0.00 A)
assign (resid  40 and name HN) (resid  39 and name HD21)  0.0 0.0 5.0  !  39 HD21 (  7.486) (0.00 A)
assign (resid  40 and name HN) (resid  41 and name HN)  0.0 0.0 3.5  !  41 HN   (  8.010) (0.00 A)
assign (resid  41 and name HN) (resid  40 and name HA)  0.0 0.0 5.0  !  40 HA   (  3.944) (0.00 A)
assign (resid  41 and name HN) (resid  40 and name HB2)  0.0 0.0 3.5  !  40 HB2  (  1.933) (0.00 A)
assign (resid  41 and name HN) (resid  40 and name HG*)  0.0 0.0 5.0  !  40 HG*  (  1.595) (0.00 A)
assign (resid  41 and name HN) (resid  40 and name HN)  0.0 0.0 3.5  !  40 HN   (  8.401) (0.00 A)
assign (resid  41 and name HN) (resid  42 and name HN)  0.0 0.0 3.5  !  42 HN   (  7.675) (0.00 A)
assign (resid  42 and name HN) (resid  41 and name HA)  0.0 0.0 5.0  !  41 HA   (  3.516) (0.00 A)
assign (resid  42 and name HN) (resid  41 and name HB1)  0.0 0.0 3.5  !  41 HB1  (  2.865) (0.00 A)
assign (resid  42 and name HN) (resid  41 and name HB2)  0.0 0.0 3.5  !  41 HB2  (  2.190) (0.00 A)
assign (resid  42 and name HN) (resid  43 and name HN)  0.0 0.0 3.5  !  43 HN   (  7.834) (0.00 A)
assign (resid  43 and name HN) (resid  42 and name HA)  0.0 0.0 5.0  !  42 HA   (  3.841) (0.00 A)
assign (resid  43 and name HN) (resid  42 and name HB*)  0.0 0.0 2.7  !  42 HB*  (  1.471) (0.00 A)
assign (resid  43 and name HN) (resid  44 and name HN)  0.0 0.0 3.5  !  44 HN   (  8.165) (0.00 A)
assign (resid  44 and name HN) (resid  43 and name HA)  0.0 0.0 5.0  !  43 HA   (  3.955) (0.00 A)
assign (resid  44 and name HN) (resid  43 and name HB)  0.0 0.0 3.5  !  43 HB   (  4.263) (0.00 A)
assign (resid  44 and name HN) (resid  43 and name HG*)  0.0 0.0 5.0  !  43 HG*  (  1.225) (0.00 A)
assign (resid  45 and name HN) (resid  44 and name HA)  0.0 0.0 5.0  !  44 HA   (  4.450) (0.00 A)
assign (resid  46 and name HN) (resid  45 and name HA)  0.0 0.0 5.0  !  45 HA   (  3.767) (0.00 A)
assign (resid  46 and name HN) (resid  45 and name HB*)  0.0 0.0 3.5  !  45 HB*  (  1.942) (0.00 A)
assign (resid  46 and name HN) (resid  45 and name HD*)  0.0 0.0 3.5  !  45 HD*  (  1.703) (0.00 A)
assign (resid  46 and name HN) (resid  45 and name HG*)  0.0 0.0 3.5  !  45 HG*  (  1.208) (0.00 A)
assign (resid  46 and name HN) (resid  45 and name HN)  0.0 0.0 3.5  !  45 HN   (  8.244) (0.00 A)
assign (resid  47 and name HN) (resid  46 and name HA)  0.0 0.0 5.0  !  46 HA   (  4.206) (0.00 A)
assign (resid  47 and name HN) (resid  46 and name HB*)  0.0 0.0 3.5  !  46 HB*  (  2.190) (0.00 A)
assign (resid  47 and name HN) (resid  46 and name HG2)  0.0 0.0 5.0  !  46 HG2  (  2.609) (0.00 A)
assign (resid  47 and name HN) (resid  48 and name HN)  0.0 0.0 3.5  !  48 HN   (  8.621) (0.00 A)
assign (resid  49 and name HN) (resid  48 and name HB*)  0.0 0.0 3.5  !  48 HB*  (  1.817) (0.00 A)
assign (resid  49 and name HN) (resid  48 and name HD2*)  0.0 0.0 5.0  !  48 HD2* (  0.882) (0.00 A)
assign (resid  49 and name HN) (resid  48 and name HG)  0.0 0.0 5.0  !  48 HG   (  1.655) (0.00 A)
assign (resid  49 and name HN) (resid  48 and name HN)  0.0 0.0 3.5  !  48 HN   (  8.621) (0.00 A)
assign (resid  49 and name HN) (resid  50 and name HN)  0.0 0.0 3.5  !  50 HN   (  7.569) (0.00 A)
assign (resid  50 and name HN) (resid  49 and name HA)  0.0 0.0 3.5  !  49 HA   (  4.117) (0.00 A)
assign (resid  50 and name HN) (resid  49 and name HB*)  0.0 0.0 3.5  !  49 HB*  (  2.098) (0.00 A)
assign (resid  50 and name HN) (resid  49 and name HG1)  0.0 0.0 5.0  !  49 HG1  (  2.671) (0.00 A)
assign (resid  50 and name HN) (resid  49 and name HG2)  0.0 0.0 5.0  !  49 HG2  (  2.468) (0.00 A)
assign (resid  51 and name HN) (resid  50 and name HN)  0.0 0.0 3.5  !  50 HN   (  7.569) (0.00 A)
assign (resid  54 and name HN) (resid  53 and name HB*)  0.0 0.0 5.0  !  53 HB*  (  1.841) (0.00 A)
assign (resid  54 and name HN) (resid  53 and name HG*)  0.0 0.0 5.0  !  53 HG*  (  1.457) (0.00 A)
assign (resid  54 and name HN) (resid  53 and name HN)  0.0 0.0 3.5  !  53 HN   (  8.001) (0.00 A)
assign (resid  55 and name HN) (resid  54 and name HA)  0.0 0.0 3.5  !  54 HA   (  4.463) (0.00 A)
assign (resid  55 and name HN) (resid  54 and name HN)  0.0 0.0 5.0  !  54 HN   (  8.255) (0.00 A)
assign (resid   4 and name HN) (resid   2 and name HB1)  0.0 0.0 5.0  !   2 HB1  (  2.901) (0.00 A)
assign (resid   6 and name HN) (resid   4 and name HA)  0.0 0.0 5.0  !   4 HA   (  4.458) (0.00 A)
assign (resid   6 and name HN) (resid   4 and name HB*)  0.0 0.0 5.0  !   4 HB*  (  2.686) (0.00 A)
assign (resid  14 and name HN) (resid  11 and name HB2)  0.0 0.0 5.0  !  11 HB2  (  2.719) (0.00 A)
assign (resid  15 and name HN) (resid  12 and name HA)  0.0 0.0 5.0  !  12 HA   (  3.873) (0.00 A)
assign (resid  15 and name HN) (resid  13 and name HA)  0.0 0.0 5.0  !  13 HA   (  4.108) (0.00 A)
assign (resid  15 and name HN) (resid  13 and name HB*)  0.0 0.0 5.0  !  13 HB*  (  1.029) (0.00 A)
assign (resid  15 and name HN) (resid  13 and name HN)  0.0 0.0 5.0  !  13 HN   (  8.022) (0.00 A)
assign (resid  15 and name HN) (resid  20 and name HA)  0.0 0.0 5.0  !  20 HA   (  4.520) (0.00 A)
assign (resid  15 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.914) (0.00 A)
assign (resid  16 and name HN) (resid  18 and name HN)  0.0 0.0 5.0  !  18 HN   (  8.786) (0.00 A)
assign (resid  16 and name HN) (resid  19 and name HN)  0.0 0.0 3.5  !  19 HN   (  7.713) (0.00 A)
assign (resid  16 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.914) (0.00 A)
assign (resid  18 and name HN) (resid  15 and name HA)  0.0 0.0 5.0  !  15 HA   (  5.177) (0.00 A)
assign (resid  18 and name HN) (resid  15 and name HB1)  0.0 0.0 5.0  !  15 HB1  (  2.136) (0.00 A)
assign (resid  18 and name HN) (resid  15 and name HB2)  0.0 0.0 5.0  !  15 HB2  (  1.998) (0.00 A)
assign (resid  18 and name HN) (resid  15 and name HE*)  0.0 0.0 5.0  !  15 HE*  (  1.767) (0.00 A)
assign (resid  18 and name HN) (resid  16 and name HA)  0.0 0.0 5.0  !  16 HA   (  4.565) (0.00 A)
assign (resid  19 and name HN) (resid  15 and name HA)  0.0 0.0 5.0  !  15 HA   (  5.177) (0.00 A)
assign (resid  19 and name HN) (resid  15 and name HB2)  0.0 0.0 5.0  !  15 HB2  (  1.998) (0.00 A)
assign (resid  19 and name HN) (resid  15 and name HG1)  0.0 0.0 5.0  !  15 HG1  (  2.684) (0.00 A)
assign (resid  19 and name HN) (resid  16 and name HN)  0.0 0.0 3.5  !  16 HN   (  9.506) (0.00 A)
assign (resid  19 and name HN) (resid  17 and name HA)  0.0 0.0 5.0  !  17 HA   (  4.407) (0.00 A)
assign (resid  19 and name HN) (resid  17 and name HB1)  0.0 0.0 5.0  !  17 HB1  (  3.114) (0.00 A)
assign (resid  19 and name HN) (resid  17 and name HB2)  0.0 0.0 5.0  !  17 HB2  (  2.842) (0.00 A)
assign (resid  21 and name HN) (resid  16 and name HN)  0.0 0.0 5.0  !  16 HN   (  9.506) (0.00 A)
assign (resid  22 and name HN) (resid  19 and name HD*)  0.0 0.0 5.0  !  19 HD*  (  1.615) (0.00 A)
assign (resid  22 and name HN) (resid  20 and name HA)  0.0 0.0 5.0  !  20 HA   (  4.520) (0.00 A)
assign (resid  22 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.914) (0.00 A)
assign (resid  22 and name HN) (resid  20 and name HD2*)  0.0 0.0 5.0  !  20 HD2* (  0.697) (0.00 A)
assign (resid  22 and name HN) (resid  20 and name HG)  0.0 0.0 5.0  !  20 HG   (  1.424) (0.00 A)
assign (resid  24 and name HE21) (resid  28 and name HD*)  0.0 0.0 5.0  !  28 HD*  (  7.330) (0.00 A)
assign (resid  25 and name HN) (resid  28 and name HE*)  0.0 0.0 5.0  !  28 HE*  (  7.257) (0.00 A)
assign (resid  26 and name HN) (resid  23 and name HA)  0.0 0.0 5.0  !  23 HA   (  4.355) (0.00 A)
assign (resid  26 and name HN) (resid  28 and name HD*)  0.0 0.0 5.0  !  28 HD*  (  7.330) (0.00 A)
assign (resid  27 and name HN) (resid  29 and name HN)  0.0 0.0 5.0  !  29 HN   (  7.523) (0.00 A)
assign (resid  28 and name HN) (resid  26 and name HB*)  0.0 0.0 5.0  !  26 HB*  (  1.890) (0.00 A)
assign (resid  29 and name HN) (resid  27 and name HN)  0.0 0.0 5.0  !  27 HN   (  8.710) (0.00 A)
assign (resid  30 and name HN) (resid  28 and name HA)  0.0 0.0 5.0  !  28 HA   (  4.227) (0.00 A)
assign (resid  31 and name HN) (resid  29 and name HA)  0.0 0.0 5.0  !  29 HA   (  4.566) (0.00 A)
assign (resid  31 and name HN) (resid  35 and name HD1*)  0.0 0.0 5.0  !  35 HD1* (  0.915) (0.00 A)
assign (resid  31 and name HN) (resid  35 and name HG*)  0.0 0.0 5.0  !  35 HG*  (  1.154) (0.00 A)
assign (resid  31 and name HN) (resid  35 and name HN)  0.0 0.0 3.5  !  35 HN   (  8.052) (0.00 A)
assign (resid  33 and name HN) (resid  31 and name HA)  0.0 0.0 5.0  !  31 HA   (  4.769) (0.00 A)
assign (resid  33 and name HN) (resid  31 and name HB2)  0.0 0.0 5.0  !  31 HB2  (  3.929) (0.00 A)
assign (resid  34 and name HN) (resid  31 and name HA)  0.0 0.0 5.0  !  31 HA   (  4.769) (0.00 A)
assign (resid  34 and name HN) (resid  31 and name HB1)  0.0 0.0 3.5  !  31 HB1  (  4.193) (0.00 A)
assign (resid  34 and name HN) (resid  31 and name HN)  0.0 0.0 5.0  !  31 HN   (  7.719) (0.00 A)
assign (resid  34 and name HN) (resid  32 and name HB*)  0.0 0.0 5.0  !  32 HB*  (  1.729) (0.00 A)
assign (resid  34 and name HN) (resid  32 and name HD2*)  0.0 0.0 5.0  !  32 HD2* (  0.944) (0.00 A)
assign (resid  34 and name HN) (resid  32 and name HN)  0.0 0.0 5.0  !  32 HN   (  8.831) (0.00 A)
assign (resid  35 and name HN) (resid  32 and name HA)  0.0 0.0 5.0  !  32 HA   (  4.195) (0.00 A)
assign (resid  35 and name HN) (resid  32 and name HN)  0.0 0.0 5.0  !  32 HN   (  8.831) (0.00 A)
assign (resid  35 and name HN) (resid  33 and name HN)  0.0 0.0 5.0  !  33 HN   (  8.494) (0.00 A)
assign (resid  36 and name HN) (resid  32 and name HB*)  0.0 0.0 5.0  !  32 HB*  (  1.729) (0.00 A)
assign (resid  36 and name HN) (resid  32 and name HD2*)  0.0 0.0 3.5  !  32 HD2* (  0.944) (0.00 A)
assign (resid  36 and name HN) (resid  33 and name HA)  0.0 0.0 3.5  !  33 HA   (  4.440) (0.00 A)
assign (resid  36 and name HN) (resid  34 and name HA2)  0.0 0.0 5.0  !  34 HA2  (  3.967) (0.00 A)
assign (resid  37 and name HN) (resid  34 and name HA2)  0.0 0.0 5.0  !  34 HA2  (  3.967) (0.00 A)
assign (resid  39 and name HN) (resid  35 and name HD1*)  0.0 0.0 5.0  !  35 HD1* (  0.915) (0.00 A)
assign (resid  39 and name HN) (resid  36 and name HA)  0.0 0.0 5.0  !  36 HA   (  4.253) (0.00 A)
assign (resid  39 and name HN) (resid  36 and name HB2)  0.0 0.0 5.0  !  36 HB2  (  2.190) (0.00 A)
assign (resid  39 and name HN) (resid  41 and name HN)  0.0 0.0 5.0  !  41 HN   (  8.010) (0.00 A)
assign (resid  40 and name HN) (resid  36 and name HB2)  0.0 0.0 5.0  !  36 HB2  (  2.190) (0.00 A)
assign (resid  40 and name HN) (resid  38 and name HA)  0.0 0.0 5.0  !  38 HA   (  3.491) (0.00 A)
assign (resid  40 and name HN) (resid  42 and name HN)  0.0 0.0 5.0  !  42 HN   (  7.675) (0.00 A)
assign (resid  40 and name HN) (resid  43 and name HB)  0.0 0.0 5.0  !  43 HB   (  4.263) (0.00 A)
assign (resid  40 and name HN) (resid  43 and name HN)  0.0 0.0 5.0  !  43 HN   (  7.834) (0.00 A)
assign (resid  41 and name HN) (resid  39 and name HA)  0.0 0.0 5.0  !  39 HA   (  4.450) (0.00 A)
assign (resid  42 and name HN) (resid  38 and name HG2*)  0.0 0.0 5.0  !  38 HG2* (  0.829) (0.00 A)
assign (resid  42 and name HN) (resid  39 and name HA)  0.0 0.0 5.0  !  39 HA   (  4.450) (0.00 A)
assign (resid  42 and name HN) (resid  40 and name HN)  0.0 0.0 5.0  !  40 HN   (  8.401) (0.00 A)
assign (resid  42 and name HN) (resid  44 and name HN)  0.0 0.0 5.0  !  44 HN   (  8.165) (0.00 A)
assign (resid  43 and name HN) (resid  39 and name HA)  0.0 0.0 5.0  !  39 HA   (  4.450) (0.00 A)
assign (resid  43 and name HN) (resid  40 and name HN)  0.0 0.0 5.0  !  40 HN   (  8.401) (0.00 A)
assign (resid  44 and name HN) (resid  40 and name HG*)  0.0 0.0 5.0  !  40 HG*  (  1.595) (0.00 A)
assign (resid  44 and name HN) (resid  42 and name HA)  0.0 0.0 5.0  !  42 HA   (  3.841) (0.00 A)
assign (resid  44 and name HN) (resid  42 and name HB*)  0.0 0.0 5.0  !  42 HB*  (  1.471) (0.00 A)
assign (resid  44 and name HN) (resid  42 and name HN)  0.0 0.0 5.0  !  42 HN   (  7.675) (0.00 A)
assign (resid  44 and name HN) (resid  46 and name HN)  0.0 0.0 5.0  !  46 HN   (  7.471) (0.00 A)
assign (resid  44 and name HN) (resid  47 and name HD1*)  0.0 0.0 5.0  !  47 HD1* (  0.881) (0.00 A)
assign (resid  45 and name HN) (resid  42 and name HB*)  0.0 0.0 5.0  !  42 HB*  (  1.471) (0.00 A)
assign (resid  45 and name HN) (resid  42 and name HN)  0.0 0.0 5.0  !  42 HN   (  7.675) (0.00 A)
assign (resid  45 and name HN) (resid  43 and name HN)  0.0 0.0 5.0  !  43 HN   (  7.834) (0.00 A)
assign (resid  46 and name HN) (resid  43 and name HA)  0.0 0.0 5.0  !  43 HA   (  3.955) (0.00 A)
assign (resid  46 and name HN) (resid  43 and name HN)  0.0 0.0 5.0  !  43 HN   (  7.834) (0.00 A)
assign (resid  46 and name HN) (resid  44 and name HA)  0.0 0.0 5.0  !  44 HA   (  4.450) (0.00 A)
assign (resid  46 and name HN) (resid  49 and name HN)  0.0 0.0 5.0  !  49 HN   (  8.013) (0.00 A)
assign (resid  47 and name HN) (resid  44 and name HA)  0.0 0.0 3.5  !  44 HA   (  4.450) (0.00 A)
assign (resid  47 and name HN) (resid  45 and name HN)  0.0 0.0 5.0  !  45 HN   (  8.244) (0.00 A)
assign (resid  47 and name HN) (resid  49 and name HN)  0.0 0.0 5.0  !  49 HN   (  8.013) (0.00 A)
assign (resid  49 and name HN) (resid  45 and name HA)  0.0 0.0 5.0  !  45 HA   (  3.767) (0.00 A)
assign (resid  49 and name HN) (resid  47 and name HN)  0.0 0.0 5.0  !  47 HN   (  7.413) (0.00 A)
assign (resid  50 and name HN) (resid  47 and name HA)  0.0 0.0 5.0  !  47 HA   (  3.796) (0.00 A)
assign (resid  50 and name HN) (resid  47 and name HG2*)  0.0 0.0 5.0  !  47 HG2* (  0.863) (0.00 A)
assign (resid  50 and name HN) (resid  48 and name HN)  0.0 0.0 5.0  !  48 HN   (  8.621) (0.00 A)
assign (resid  51 and name HN) (resid  48 and name HD2*)  0.0 0.0 5.0  !  48 HD2* (  0.882) (0.00 A)
assign (resid  52 and name HN) (resid  54 and name HN)  0.0 0.0 5.0  !  54 HN   (  8.255) (0.00 A)
assign (resid  54 and name HN) (resid  52 and name HA)  0.0 0.0 5.0  !  52 HA   (  4.238) (0.00 A)
assign (resid   7 and name HN) (resid  47 and name HD1*)  0.0 0.0 5.0  !  47 HD1* (  0.881) (0.00 A)
assign (resid  14 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.914) (0.00 A)
assign (resid  21 and name HN) (resid  14 and name HA)  0.0 0.0 5.0  !  14 HA   (  4.792) (0.00 A)
assign (resid  21 and name HN) (resid  14 and name HB1)  0.0 0.0 5.0  !  14 HB1  (  3.971) (0.00 A)
assign (resid  21 and name HN) (resid  15 and name HA)  0.0 0.0 3.5  !  15 HA   (  5.177) (0.00 A)
assign (resid  24 and name HE21) (resid  14 and name HE*)  0.0 0.0 5.0  !  14 HE*  (  7.561) (0.00 A)
assign (resid  34 and name HN) (resid  28 and name HB1)  0.0 0.0 5.0  !  28 HB1  (  2.997) (0.00 A)
assign (resid  35 and name HN) (resid  29 and name HA)  0.0 0.0 5.0  !  29 HA   (  4.566) (0.00 A)
assign (resid  40 and name HN) (resid  11 and name HE*)  0.0 0.0 5.0  !  11 HE*  (  6.577) (0.00 A)
assign (resid  40 and name HN) (resid  11 and name HZ)  0.0 0.0 5.0  !  11 HZ   (  6.784) (0.00 A)
assign (resid  41 and name HN) (resid  11 and name HE*)  0.0 0.0 5.0  !  11 HE*  (  6.577) (0.00 A)
assign (resid  41 and name HN) (resid  11 and name HZ)  0.0 0.0 5.0  !  11 HZ   (  6.784) (0.00 A)
assign (resid  42 and name HN) (resid  22 and name HB*)  0.0 0.0 5.0  !  22 HB*  (  2.641) (0.00 A)
assign (resid  44 and name HN) (resid  20 and name HD2*)  0.0 0.0 5.0  !  20 HD2* (  0.697) (0.00 A)
assign (resid  45 and name HN) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.914) (0.00 A)
assign (resid  45 and name HN) (resid  20 and name HD2*)  0.0 0.0 3.5  !  20 HD2* (  0.697) (0.00 A)
assign (resid   4 and name HB*) (resid   5 and name HB1)  0.0 0.0 5.0  !   5 HB1  (  2.118) (0.00 A)
assign (resid   4 and name HN) (resid   3 and name HB1)  0.0 0.0 5.0  !   3 HB1  (  2.082) (0.00 A)
assign (resid   4 and name HN) (resid   5 and name HN)  0.0 0.0 3.5  !   5 HN   (  8.189) (0.00 A)
assign (resid   5 and name HN) (resid   4 and name HA)  0.0 0.0 3.5  !   4 HA   (  4.468) (0.00 A)
assign (resid   5 and name HN) (resid   4 and name HB*)  0.0 0.0 5.0  !   4 HB*  (  2.709) (0.00 A)
assign (resid   6 and name HG*) (resid   5 and name HB1)  0.0 0.0 5.0  !   5 HB1  (  2.118) (0.00 A)
assign (resid   6 and name HN) (resid   5 and name HA)  0.0 0.0 3.5  !   5 HA   (  4.115) (0.00 A)
assign (resid   6 and name HN) (resid   5 and name HB1)  0.0 0.0 5.0  !   5 HB1  (  2.118) (0.00 A)
assign (resid   6 and name HN) (resid   5 and name HB2)  0.0 0.0 5.0  !   5 HB2  (  2.027) (0.00 A)
assign (resid   6 and name HN) (resid   5 and name HN)  0.0 0.0 5.0  !   5 HN   (  8.189) (0.00 A)
assign (resid   7 and name HN) (resid   6 and name HA)  0.0 0.0 3.5  !   6 HA   (  4.139) (0.00 A)
assign (resid   7 and name HN) (resid   6 and name HN)  0.0 0.0 5.0  !   6 HN   (  8.268) (0.00 A)
assign (resid  14 and name HD*) (resid  13 and name HA)  0.0 0.0 5.0  !  13 HA   (  4.110) (0.00 A)
assign (resid  14 and name HD*) (resid  13 and name HB*)  0.0 0.0 5.0  !  13 HB*  (  1.036) (0.00 A)
assign (resid  14 and name HE*) (resid  13 and name HB*)  0.0 0.0 5.0  !  13 HB*  (  1.036) (0.00 A)
assign (resid  17 and name HB1) (resid  16 and name HD*)  0.0 0.0 5.0  !  16 HD*  (  1.573) (0.00 A)
assign (resid  21 and name HD*) (resid  20 and name HA)  0.0 0.0 5.0  !  20 HA   (  4.529) (0.00 A)
assign (resid  21 and name HN) (resid  22 and name HA)  0.0 0.0 5.0  !  22 HA   (  4.305) (0.00 A)
assign (resid  22 and name HN) (resid  21 and name HN)  0.0 0.0 5.0  !  21 HN   (  8.188) (0.00 A)
assign (resid  23 and name HD1) (resid  22 and name HB*)  0.0 0.0 5.0  !  22 HB*  (  2.651) (0.00 A)
assign (resid  24 and name HN) (resid  23 and name HB1)  0.0 0.0 5.0  !  23 HB1  (  2.329) (0.00 A)
assign (resid  25 and name HB*) (resid  24 and name HG1)  0.0 0.0 3.5  !  24 HG1  (  2.388) (0.00 A)
assign (resid  25 and name HN) (resid  24 and name HA)  0.0 0.0 3.5  !  24 HA   (  4.589) (0.00 A)
assign (resid  27 and name HN) (resid  26 and name HN)  0.0 0.0 5.0  !  26 HN   (  8.624) (0.00 A)
assign (resid  28 and name HA) (resid  27 and name HB2)  0.0 0.0 5.0  !  27 HB2  (  1.547) (0.00 A)
assign (resid  32 and name HN) (resid  31 and name HA)  0.0 0.0 2.7  !  31 HA   (  4.792) (0.00 A)
assign (resid  32 and name HN) (resid  31 and name HB2)  0.0 0.0 5.0  !  31 HB2  (  3.938) (0.00 A)
assign (resid  33 and name HN) (resid  32 and name HG)  0.0 0.0 5.0  !  32 HG   (  1.705) (0.00 A)
assign (resid  36 and name HN) (resid  35 and name HG2*)  0.0 0.0 3.5  !  35 HG2* (  0.949) (0.00 A)
assign (resid  37 and name HE*) (resid  38 and name HD1*)  0.0 0.0 5.0  !  38 HD1* (  0.432) (0.00 A)
assign (resid  37 and name HZ) (resid  38 and name HA)  0.0 0.0 5.0  !  38 HA   (  3.529) (0.00 A)
assign (resid  37 and name HZ) (resid  38 and name HD1*)  0.0 0.0 5.0  !  38 HD1* (  0.432) (0.00 A)
assign (resid  37 and name HZ) (resid  38 and name HG11)  0.0 0.0 5.0  !  38 HG11 (  1.413) (0.00 A)
assign (resid  37 and name HZ) (resid  38 and name HG2*)  0.0 0.0 5.0  !  38 HG2* (  0.834) (0.00 A)
assign (resid  38 and name HN) (resid  37 and name HB1)  0.0 0.0 3.5  !  37 HB1  (  3.467) (0.00 A)
assign (resid  40 and name HN) (resid  39 and name HB1)  0.0 0.0 5.0  !  39 HB1  (  2.902) (0.00 A)
assign (resid  40 and name HN) (resid  39 and name HB2)  0.0 0.0 5.0  !  39 HB2  (  2.801) (0.00 A)
assign (resid  40 and name HN) (resid  39 and name HN)  0.0 0.0 5.0  !  39 HN   (  8.463) (0.00 A)
assign (resid  41 and name HN) (resid  40 and name HB1)  0.0 0.0 5.0  !  40 HB1  (  2.022) (0.00 A)
assign (resid  42 and name HN) (resid  41 and name HB1)  0.0 0.0 3.5  !  41 HB1  (  2.877) (0.00 A)
assign (resid  42 and name HN) (resid  41 and name HB2)  0.0 0.0 3.5  !  41 HB2  (  2.188) (0.00 A)
assign (resid  44 and name HN) (resid  45 and name HN)  0.0 0.0 5.0  !  45 HN   (  8.243) (0.00 A)
assign (resid  46 and name HA) (resid  45 and name HG*)  0.0 0.0 3.5  !  45 HG*  (  1.203) (0.00 A)
assign (resid  46 and name HG1) (resid  47 and name HB)  0.0 0.0 5.0  !  47 HB   (  1.994) (0.00 A)
assign (resid  46 and name HN) (resid  47 and name HN)  0.0 0.0 3.5  !  47 HN   (  7.438) (0.00 A)
assign (resid  48 and name HN) (resid  47 and name HA)  0.0 0.0 5.0  !  47 HA   (  3.779) (0.00 A)
assign (resid  48 and name HN) (resid  47 and name HB)  0.0 0.0 3.5  !  47 HB   (  1.994) (0.00 A)
assign (resid  49 and name HG1) (resid  48 and name HD1*)  0.0 0.0 5.0  !  48 HD1* (  0.960) (0.00 A)
assign (resid  52 and name HA) (resid  51 and name HB*)  0.0 0.0 5.0  !  51 HB*  (  2.071) (0.00 A)
assign (resid  52 and name HN) (resid  51 and name HA)  0.0 0.0 3.5  !  51 HA   (  4.230) (0.00 A)
assign (resid  52 and name HN) (resid  51 and name HB*)  0.0 0.0 5.0  !  51 HB*  (  2.071) (0.00 A)
assign (resid  52 and name HN) (resid  53 and name HN)  0.0 0.0 5.0  !  53 HN   (  7.974) (0.00 A)
assign (resid  53 and name HN) (resid  52 and name HA)  0.0 0.0 3.5  !  52 HA   (  4.316) (0.00 A)
assign (resid   5 and name HN) (resid   7 and name HA)  0.0 0.0 5.0  !   7 HA   (  4.355) (0.00 A)
assign (resid  12 and name HA) (resid  15 and name HG1)  0.0 0.0 5.0  !  15 HG1  (  2.689) (0.00 A)
assign (resid  12 and name HA) (resid  15 and name HG2)  0.0 0.0 5.0  !  15 HG2  (  2.382) (0.00 A)
assign (resid  12 and name HG*) (resid  15 and name HG2)  0.0 0.0 3.5  !  15 HG2  (  2.382) (0.00 A)
assign (resid  13 and name HN) (resid  15 and name HN)  0.0 0.0 5.0  !  15 HN   (  7.453) (0.00 A)
assign (resid  14 and name HD*) (resid  11 and name HA)  0.0 0.0 3.5  !  11 HA   (  4.745) (0.00 A)
assign (resid  14 and name HD*) (resid  11 and name HB1)  0.0 0.0 5.0  !  11 HB1  (  3.646) (0.00 A)
assign (resid  14 and name HD*) (resid  11 and name HD*)  0.0 0.0 3.5  !  11 HD*  (  7.121) (0.00 A)
assign (resid  14 and name HE*) (resid  11 and name HD*)  0.0 0.0 3.5  !  11 HD*  (  7.121) (0.00 A)
assign (resid  14 and name HN) (resid  12 and name HA)  0.0 0.0 5.0  !  12 HA   (  3.887) (0.00 A)
assign (resid  15 and name HA) (resid  20 and name HA)  0.0 0.0 3.5  !  20 HA   (  4.529) (0.00 A)
assign (resid  15 and name HA) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.919) (0.00 A)
assign (resid  15 and name HB2) (resid  20 and name HB1)  0.0 0.0 5.0  !  20 HB1  (  1.723) (0.00 A)
assign (resid  16 and name HB*) (resid  19 and name HD*)  0.0 0.0 3.5  !  19 HD*  (  1.604) (0.00 A)
assign (resid  16 and name HN) (resid  19 and name HB*)  0.0 0.0 5.0  !  19 HB*  (  1.761) (0.00 A)
assign (resid  16 and name HN) (resid  20 and name HA)  0.0 0.0 5.0  !  20 HA   (  4.529) (0.00 A)
assign (resid  16 and name HN) (resid  21 and name HD*)  0.0 0.0 5.0  !  21 HD*  (  7.372) (0.00 A)
assign (resid  21 and name HD*) (resid  16 and name HB*)  0.0 0.0 3.5  !  16 HB*  (  1.856) (0.00 A)
assign (resid  21 and name HD*) (resid  16 and name HG2)  0.0 0.0 5.0  !  16 HG2  (  1.390) (0.00 A)
assign (resid  21 and name HD*) (resid  19 and name HB*)  0.0 0.0 5.0  !  19 HB*  (  1.761) (0.00 A)
assign (resid  21 and name HE*) (resid  16 and name HB*)  0.0 0.0 5.0  !  16 HB*  (  1.856) (0.00 A)
assign (resid  21 and name HE*) (resid  19 and name HB*)  0.0 0.0 5.0  !  19 HB*  (  1.761) (0.00 A)
assign (resid  25 and name HN) (resid  28 and name HZ)  0.0 0.0 5.0  !  28 HZ   (  7.368) (0.00 A)
assign (resid  27 and name HA) (resid  30 and name HB*)  0.0 0.0 5.0  !  30 HB*  (  2.078) (0.00 A)
assign (resid  28 and name HE*) (resid  24 and name HG2)  0.0 0.0 5.0  !  24 HG2  (  2.326) (0.00 A)
assign (resid  28 and name HE*) (resid  25 and name HB*)  0.0 0.0 3.5  !  25 HB*  (  2.701) (0.00 A)
assign (resid  28 and name HZ) (resid  25 and name HB*)  0.0 0.0 3.5  !  25 HB*  (  2.701) (0.00 A)
assign (resid  29 and name HD*) (resid  26 and name HB*)  0.0 0.0 5.0  !  26 HB*  (  1.817) (0.00 A)
assign (resid  31 and name HN) (resid  29 and name HA)  0.0 0.0 5.0  !  29 HA   (  4.574) (0.00 A)
assign (resid  34 and name HA1) (resid  37 and name HB1)  0.0 0.0 5.0  !  37 HB1  (  3.467) (0.00 A)
assign (resid  34 and name HA1) (resid  37 and name HB2)  0.0 0.0 5.0  !  37 HB2  (  3.351) (0.00 A)
assign (resid  34 and name HA2) (resid  37 and name HB1)  0.0 0.0 5.0  !  37 HB1  (  3.467) (0.00 A)
assign (resid  35 and name HA) (resid  38 and name HG11)  0.0 0.0 5.0  !  38 HG11 (  1.413) (0.00 A)
assign (resid  35 and name HA) (resid  38 and name HG2*)  0.0 0.0 5.0  !  38 HG2* (  0.834) (0.00 A)
assign (resid  36 and name HA) (resid  39 and name HB1)  0.0 0.0 5.0  !  39 HB1  (  2.902) (0.00 A)
assign (resid  36 and name HA) (resid  39 and name HB2)  0.0 0.0 5.0  !  39 HB2  (  2.801) (0.00 A)
assign (resid  36 and name HN) (resid  32 and name HA)  0.0 0.0 5.0  !  32 HA   (  4.217) (0.00 A)
assign (resid  36 and name HN) (resid  33 and name HA)  0.0 0.0 3.5  !  33 HA   (  4.466) (0.00 A)
assign (resid  37 and name HA) (resid  40 and name HB2)  0.0 0.0 5.0  !  40 HB2  (  1.933) (0.00 A)
assign (resid  38 and name HN) (resid  35 and name HA)  0.0 0.0 5.0  !  35 HA   (  3.631) (0.00 A)
assign (resid  38 and name HN) (resid  36 and name HA)  0.0 0.0 5.0  !  36 HA   (  4.271) (0.00 A)
assign (resid  39 and name HA) (resid  42 and name HB*)  0.0 0.0 5.0  !  42 HB*  (  1.477) (0.00 A)
assign (resid  39 and name HD21) (resid  35 and name HG2*)  0.0 0.0 5.0  !  35 HG2* (  0.949) (0.00 A)
assign (resid  39 and name HD21) (resid  36 and name HA)  0.0 0.0 5.0  !  36 HA   (  4.271) (0.00 A)
assign (resid  39 and name HD22) (resid  35 and name HG2*)  0.0 0.0 3.5  !  35 HG2* (  0.949) (0.00 A)
assign (resid  39 and name HN) (resid  41 and name HN)  0.0 0.0 5.0  !  41 HN   (  8.018) (0.00 A)
assign (resid  40 and name HN) (resid  36 and name HA)  0.0 0.0 5.0  !  36 HA   (  4.271) (0.00 A)
assign (resid  42 and name HA) (resid  45 and name HB*)  0.0 0.0 5.0  !  45 HB*  (  1.958) (0.00 A)
assign (resid  42 and name HA) (resid  45 and name HD*)  0.0 0.0 5.0  !  45 HD*  (  1.714) (0.00 A)
assign (resid  42 and name HB*) (resid  45 and name HD*)  0.0 0.0 5.0  !  45 HD*  (  1.714) (0.00 A)
assign (resid  43 and name HA) (resid  46 and name HB*)  0.0 0.0 5.0  !  46 HB*  (  2.202) (0.00 A)
assign (resid  44 and name HA) (resid  47 and name HB)  0.0 0.0 5.0  !  47 HB   (  1.994) (0.00 A)
assign (resid  45 and name HN) (resid  42 and name HA)  0.0 0.0 5.0  !  42 HA   (  3.848) (0.00 A)
assign (resid  46 and name HA) (resid  49 and name HB1)  0.0 0.0 5.0  !  49 HB1  (  2.133) (0.00 A)
assign (resid  46 and name HG1) (resid  48 and name HD1*)  0.0 0.0 5.0  !  48 HD1* (  0.960) (0.00 A)
assign (resid  47 and name HA) (resid  50 and name HB*)  0.0 0.0 5.0  !  50 HB*  (  1.962) (0.00 A)
assign (resid  48 and name HA) (resid  51 and name HB*)  0.0 0.0 5.0  !  51 HB*  (  2.071) (0.00 A)
assign (resid  48 and name HN) (resid  45 and name HA)  0.0 0.0 5.0  !  45 HA   (  3.776) (0.00 A)
assign (resid  49 and name HA) (resid  52 and name HB*)  0.0 0.0 5.0  !  52 HB*  (  1.451) (0.00 A)
assign (resid  49 and name HN) (resid  47 and name HA)  0.0 0.0 5.0  !  47 HA   (  3.779) (0.00 A)
assign (resid  50 and name HG*) (resid  47 and name HD1*)  0.0 0.0 3.5  !  47 HD1* (  0.862) (0.00 A)
assign (resid  52 and name HN) (resid  49 and name HA)  0.0 0.0 5.0  !  49 HA   (  4.110) (0.00 A)
assign (resid  55 and name HN) (resid  53 and name HA)  0.0 0.0 5.0  !  53 HA   (  4.374) (0.00 A)
assign (resid  11 and name HB2) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.919) (0.00 A)
assign (resid  11 and name HB2) (resid  48 and name HD1*)  0.0 0.0 5.0  !  48 HD1* (  0.960) (0.00 A)
assign (resid  11 and name HD*) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.919) (0.00 A)
assign (resid  11 and name HD*) (resid  20 and name HD2*)  0.0 0.0 5.0  !  20 HD2* (  0.715) (0.00 A)
assign (resid  11 and name HD*) (resid  37 and name HB2)  0.0 0.0 5.0  !  37 HB2  (  3.351) (0.00 A)
assign (resid  11 and name HD*) (resid  41 and name HB2)  0.0 0.0 5.0  !  41 HB2  (  2.188) (0.00 A)
assign (resid  11 and name HE*) (resid  26 and name HG*)  0.0 0.0 5.0  !  26 HG*  (  1.539) (0.00 A)
assign (resid  11 and name HE*) (resid  40 and name HB2)  0.0 0.0 5.0  !  40 HB2  (  1.933) (0.00 A)
assign (resid  11 and name HE*) (resid  40 and name HD*)  0.0 0.0 5.0  !  40 HD*  (  1.823) (0.00 A)
assign (resid  11 and name HE*) (resid  40 and name HE*)  0.0 0.0 5.0  !  40 HE*  (  3.040) (0.00 A)
assign (resid  11 and name HE*) (resid  41 and name HB1)  0.0 0.0 5.0  !  41 HB1  (  2.877) (0.00 A)
assign (resid  11 and name HE*) (resid  41 and name HB2)  0.0 0.0 5.0  !  41 HB2  (  2.188) (0.00 A)
assign (resid  11 and name HZ) (resid  37 and name HA)  0.0 0.0 5.0  !  37 HA   (  4.398) (0.00 A)
assign (resid  11 and name HZ) (resid  40 and name HB1)  0.0 0.0 5.0  !  40 HB1  (  2.022) (0.00 A)
assign (resid  11 and name HZ) (resid  40 and name HB2)  0.0 0.0 5.0  !  40 HB2  (  1.933) (0.00 A)
assign (resid  11 and name HZ) (resid  40 and name HD*)  0.0 0.0 5.0  !  40 HD*  (  1.823) (0.00 A)
assign (resid  11 and name HZ) (resid  41 and name HB2)  0.0 0.0 5.0  !  41 HB2  (  2.188) (0.00 A)
assign (resid  12 and name HA) (resid  48 and name HD1*)  0.0 0.0 5.0  !  48 HD1* (  0.960) (0.00 A)
assign (resid  14 and name HB1) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.919) (0.00 A)
assign (resid  14 and name HB2) (resid  20 and name HD1*)  0.0 0.0 3.5  !  20 HD1* (  0.919) (0.00 A)
assign (resid  14 and name HD*) (resid  20 and name HD1*)  0.0 0.0 5.0  !  20 HD1* (  0.919) (0.00 A)
assign (resid  14 and name HD*) (resid  37 and name HD*)  0.0 0.0 5.0  !  37 HD*  (  7.209) (0.00 A)
assign (resid  14 and name HE*) (resid  37 and name HD*)  0.0 0.0 5.0  !  37 HD*  (  7.209) (0.00 A)
assign (resid  14 and name HE*) (resid  37 and name HE*)  0.0 0.0 5.0  !  37 HE*  (  7.032) (0.00 A)
assign (resid  21 and name HZ) (resid  14 and name HA)  0.0 0.0 5.0  !  14 HA   (  4.795) (0.00 A)
assign (resid  28 and name HD*) (resid  34 and name HA1)  0.0 0.0 5.0  !  34 HA1  (  4.422) (0.00 A)
assign (resid  29 and name HD*) (resid  35 and name HD1*)  0.0 0.0 3.5  !  35 HD1* (  0.915) (0.00 A)
assign (resid  29 and name HD*) (resid  35 and name HG1*)  0.0 0.0 5.0  !  35 HG1* (  1.161) (0.00 A)
assign (resid  29 and name HD*) (resid  35 and name HG2*)  0.0 0.0 5.0  !  35 HG2* (  0.949) (0.00 A)
assign (resid  29 and name HD*) (resid  38 and name HD1*)  0.0 0.0 3.5  !  38 HD1* (  0.432) (0.00 A)
assign (resid  29 and name HD*) (resid  38 and name HG2*)  0.0 0.0 3.5  !  38 HG2* (  0.834) (0.00 A)
assign (resid  34 and name HN) (resid  28 and name HA)  0.0 0.0 5.0  !  28 HA   (  4.231) (0.00 A)
assign (resid  37 and name HD*) (resid  11 and name HE*)  0.0 0.0 5.0  !  11 HE*  (  6.602) (0.00 A)
assign (resid  37 and name HE*) (resid  11 and name HE*)  0.0 0.0 5.0  !  11 HE*  (  6.602) (0.00 A)
assign (resid  37 and name HZ) (resid  11 and name HE*)  0.0 0.0 5.0  !  11 HE*  (  6.602) (0.00 A)
assign (resid  37 and name HZ) (resid  11 and name HZ)  0.0 0.0 5.0  !  11 HZ   (  6.784) (0.00 A)
assign (resid  41 and name HB1) (resid  22 and name HB*)  0.0 0.0 5.0  !  22 HB*  (  2.651) (0.00 A)
assign (resid  45 and name HA) (resid  20 and name HD2*)  0.0 0.0 3.5  !  20 HD2* (  0.715) (0.00 A)
assign (resid  45 and name HE*) (resid  20 and name HD2*)  0.0 0.0 5.0  !  20 HD2* (  0.715) (0.00 A)
assign (resid  48 and name HD1*) (resid  20 and name HD2*)  0.0 0.0 2.7  !  20 HD2* (  0.715) (0.00 A)

assign (resid   2 and name C    ) (resid   3 and name N    )
       (resid   3 and name CA   ) (resid   3 and name C    ) 10  -60 20 2 ! J(  3) =  5.49
assign (resid  11 and name C    ) (resid  12 and name N    )
       (resid  12 and name CA   ) (resid  12 and name C    ) 10  -60 20 2 ! J( 12) =  3.67
assign (resid  12 and name C    ) (resid  13 and name N    )
       (resid  13 and name CA   ) (resid  13 and name C    ) 10  -60 20 2 ! J( 13) =  3.76
assign (resid  13 and name C    ) (resid  14 and name N    )
       (resid  14 and name CA   ) (resid  14 and name C    ) 10 -120 40 2 ! J( 14) =  9.13
assign (resid  15 and name C    ) (resid  16 and name N    )
       (resid  16 and name CA   ) (resid  16 and name C    ) 10 -120 40 2 ! J( 16) =  8.60
assign (resid  18 and name C    ) (resid  19 and name N    )
       (resid  19 and name CA   ) (resid  19 and name C    ) 10 -120 40 2 ! J( 19) =  9.65
assign (resid  20 and name C    ) (resid  21 and name N    )
       (resid  21 and name CA   ) (resid  21 and name C    ) 10 -120 40 2 ! J( 21) =  9.79
assign (resid  25 and name C    ) (resid  26 and name N    )
       (resid  26 and name CA   ) (resid  26 and name C    ) 10  -60 20 2 ! J( 26) =  3.33
assign (resid  26 and name C    ) (resid  27 and name N    )
       (resid  27 and name CA   ) (resid  27 and name C    ) 10  -60 20 2 ! J( 27) =  3.46
assign (resid  27 and name C    ) (resid  28 and name N    )
       (resid  28 and name CA   ) (resid  28 and name C    ) 10  -60 20 2 ! J( 28) =  5.99
assign (resid  41 and name C    ) (resid  42 and name N    )
       (resid  42 and name CA   ) (resid  42 and name C    ) 10  -60 20 2 ! J( 42) =  3.84
assign (resid  42 and name C    ) (resid  43 and name N    )
       (resid  43 and name CA   ) (resid  43 and name C    ) 10  -60 20 2 ! J( 43) =  5.15
assign (resid  45 and name C    ) (resid  46 and name N    )
       (resid  46 and name CA   ) (resid  46 and name C    ) 10  -60 20 2 ! J( 46) =  4.53
assign (resid  51 and name C    ) (resid  52 and name N    )
       (resid  52 and name CA   ) (resid  52 and name C    ) 10  -60 20 2 ! J( 52) =  5.77
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H1       LYS   1 -24.157  18.343  24.948
    2    H2   LYS   1           H2       LYS   1 -25.773  17.978  24.584
    3    H3   LYS   1           H3       LYS   1 -25.378  18.685  26.078
    4    HA   LYS   1           HA       LYS   1 -24.261  16.714  26.813
    5   1HB   LYS   1          1HB       LYS   1 -26.955  16.298  25.479
    6   2HB   LYS   1          2HB       LYS   1 -26.274  15.201  26.680
    7   1HG   LYS   1          1HG       LYS   1 -26.131  17.104  28.285
    8   2HG   LYS   1          2HG       LYS   1 -26.911  18.138  27.089
    9   1HD   LYS   1          1HD       LYS   1 -28.875  16.626  27.081
   10   2HD   LYS   1          2HD       LYS   1 -28.096  15.624  28.306
   11   1HE   LYS   1          1HE       LYS   1 -29.667  17.176  29.393
   12   2HE   LYS   1          2HE       LYS   1 -28.008  17.641  29.814
   13   1HZ   LYS   1          1HZ       LYS   1 -29.138  18.712  27.335
   14   2HZ   LYS   1          2HZ       LYS   1 -29.718  19.368  28.790
   15   3HZ   LYS   1          3HZ       LYS   1 -28.061  19.436  28.432
   16    H    ASN   2           H        ASN   2 -25.724  16.120  23.588
   17    HA   ASN   2           HA       ASN   2 -24.098  13.732  23.149
   18   1HB   ASN   2          1HB       ASN   2 -25.837  15.419  21.317
   19   2HB   ASN   2          2HB       ASN   2 -25.244  13.799  20.952
   20   2HD2  ASN   2          2HD2      ASN   2 -25.770  12.201  22.976
   21   1HD2  ASN   2          1HD2      ASN   2 -27.373  12.294  23.527
   22    H    GLU   3           H        GLU   3 -22.366  13.554  21.624
   23    HA   GLU   3           HA       GLU   3 -20.642  15.872  21.396
   24   1HB   GLU   3          1HB       GLU   3 -20.622  13.110  20.136
   25   2HB   GLU   3          2HB       GLU   3 -19.269  14.239  20.076
   26   1HG   GLU   3          1HG       GLU   3 -19.238  14.278  22.570
   27   2HG   GLU   3          2HG       GLU   3 -20.521  13.068  22.579
   28    H    ASP   4           H        ASP   4 -23.371  14.956  19.653
   29    HA   ASP   4           HA       ASP   4 -22.495  15.718  16.973
   30   1HB   ASP   4          1HB       ASP   4 -25.034  14.995  18.397
   31   2HB   ASP   4          2HB       ASP   4 -25.149  15.762  16.813
   32    H    GLN   5           H        GLN   5 -22.905  17.530  19.708
   33    HA   GLN   5           HA       GLN   5 -23.850  19.919  18.155
   34   1HB   GLN   5          1HB       GLN   5 -24.126  19.332  21.120
   35   2HB   GLN   5          2HB       GLN   5 -24.868  20.667  20.239
   36   1HG   GLN   5          1HG       GLN   5 -25.398  17.862  19.321
   37   2HG   GLN   5          2HG       GLN   5 -26.250  18.465  20.742
   38   2HE2  GLN   5          2HE2      GLN   5 -26.947  21.011  20.212
   39   1HE2  GLN   5          1HE2      GLN   5 -27.818  21.154  18.762
   40    H    GLU   6           H        GLU   6 -21.570  18.603  20.487
   41    HA   GLU   6           HA       GLU   6 -19.868  21.038  20.120
   42   1HB   GLU   6          1HB       GLU   6 -20.616  19.587  22.677
   43   2HB   GLU   6          2HB       GLU   6 -19.346  20.806  22.583
   44   1HG   GLU   6          1HG       GLU   6 -21.138  22.343  21.555
   45   2HG   GLU   6          2HG       GLU   6 -22.312  21.156  22.124
   46    H    MET   7           H        MET   7 -19.377  18.842  18.594
   47    HA   MET   7           HA       MET   7 -17.984  16.627  19.438
   48   1HB   MET   7          1HB       MET   7 -17.523  18.588  17.191
   49   2HB   MET   7          2HB       MET   7 -16.538  17.133  17.338
   50   1HG   MET   7          1HG       MET   7 -19.569  17.175  17.205
   51   2HG   MET   7          2HG       MET   7 -18.504  16.779  15.857
   52   1HE   MET   7          1HE       MET   7 -17.070  15.260  15.610
   53   2HE   MET   7          2HE       MET   7 -16.502  14.012  16.716
   54   3HE   MET   7          3HE       MET   7 -17.870  13.690  15.642
   55    H    CYS   8           H        CYS   8 -16.692  19.947  19.290
   56    HA   CYS   8           HA       CYS   8 -14.092  19.049  20.389
   57   1HB   CYS   8          1HB       CYS   8 -15.264  21.663  19.410
   58   2HB   CYS   8          2HB       CYS   8 -13.648  21.557  20.108
   59    H    HIS   9           H        HIS   9 -14.331  18.575  22.581
   60    HA   HIS   9           HA       HIS   9 -15.834  20.494  24.302
   61   1HB   HIS   9          1HB       HIS   9 -14.703  17.714  24.761
   62   2HB   HIS   9          2HB       HIS   9 -15.653  18.620  25.939
   63    HD1  HIS   9           HD1      HIS   9 -18.127  19.383  24.996
   64    HD2  HIS   9           HD2      HIS   9 -16.257  16.216  23.033
   65    HE1  HIS   9           HE1      HIS   9 -19.936  18.176  23.699
   66    H    GLU  10           H        GLU  10 -12.691  18.772  24.202
   67    HA   GLU  10           HA       GLU  10 -11.590  20.539  26.294
   68   1HB   GLU  10          1HB       GLU  10 -10.750  18.106  24.743
   69   2HB   GLU  10          2HB       GLU  10  -9.530  19.037  25.611
   70   1HG   GLU  10          1HG       GLU  10 -10.984  18.853  27.670
   71   2HG   GLU  10          2HG       GLU  10 -12.009  17.734  26.770
   72    H    PHE  11           H        PHE  11 -11.214  19.979  22.800
   73    HA   PHE  11           HA       PHE  11  -8.992  21.787  22.431
   74   1HB   PHE  11          1HB       PHE  11 -11.126  20.574  20.684
   75   2HB   PHE  11          2HB       PHE  11  -9.910  21.658  20.020
   76    HD1  PHE  11           HD1      PHE  11  -7.526  21.049  20.029
   77    HD2  PHE  11           HD2      PHE  11 -10.533  18.342  21.474
   78    HE1  PHE  11           HE1      PHE  11  -5.896  19.183  19.927
   79    HE2  PHE  11           HE2      PHE  11  -8.904  16.478  21.371
   80    HZ   PHE  11           HZ       PHE  11  -6.586  16.900  20.600
   81    H    GLN  12           H        GLN  12 -12.471  22.227  22.662
   82    HA   GLN  12           HA       GLN  12 -12.939  24.632  21.339
   83   1HB   GLN  12          1HB       GLN  12 -14.607  23.332  22.608
   84   2HB   GLN  12          2HB       GLN  12 -13.817  23.777  24.120
   85   1HG   GLN  12          1HG       GLN  12 -14.195  26.224  23.367
   86   2HG   GLN  12          2HG       GLN  12 -15.335  25.547  22.204
   87   2HE2  GLN  12          2HE2      GLN  12 -17.401  25.853  23.068
   88   1HE2  GLN  12          1HE2      GLN  12 -17.841  25.513  24.672
   89    H    ALA  13           H        ALA  13 -11.502  24.207  24.584
   90    HA   ALA  13           HA       ALA  13 -11.116  26.954  25.208
   91   1HB   ALA  13          1HB       ALA  13  -8.963  25.470  26.261
   92   2HB   ALA  13          2HB       ALA  13 -10.504  25.796  27.055
   93   3HB   ALA  13          3HB       ALA  13 -10.292  24.320  26.113
   94    H    PHE  14           H        PHE  14  -9.534  24.905  22.892
   95    HA   PHE  14           HA       PHE  14  -7.103  26.567  22.733
   96   1HB   PHE  14          1HB       PHE  14  -8.181  24.281  21.054
   97   2HB   PHE  14          2HB       PHE  14  -6.548  24.931  20.961
   98    HD1  PHE  14           HD1      PHE  14  -6.912  25.409  24.225
   99    HD2  PHE  14           HD2      PHE  14  -6.914  22.084  21.504
  100    HE1  PHE  14           HE1      PHE  14  -6.208  23.902  26.064
  101    HE2  PHE  14           HE2      PHE  14  -6.211  20.579  23.342
  102    HZ   PHE  14           HZ       PHE  14  -5.857  21.487  25.623
  103    H    MET  15           H        MET  15 -10.123  27.314  21.889
  104    HA   MET  15           HA       MET  15  -9.553  28.181  19.106
  105   1HB   MET  15          1HB       MET  15 -11.932  28.434  18.983
  106   2HB   MET  15          2HB       MET  15 -11.648  26.948  19.879
  107   1HG   MET  15          1HG       MET  15 -11.735  28.510  21.980
  108   2HG   MET  15          2HG       MET  15 -12.562  29.625  20.896
  109   1HE   MET  15          1HE       MET  15 -14.101  29.701  22.519
  110   2HE   MET  15          2HE       MET  15 -15.531  29.362  21.535
  111   3HE   MET  15          3HE       MET  15 -15.270  28.492  23.045
  112    H    LYS  16           H        LYS  16  -8.685  30.201  18.884
  113    HA   LYS  16           HA       LYS  16  -9.143  32.236  21.010
  114   1HB   LYS  16          1HB       LYS  16  -6.845  31.779  20.347
  115   2HB   LYS  16          2HB       LYS  16  -7.250  32.017  18.648
  116   1HG   LYS  16          1HG       LYS  16  -6.150  34.019  19.628
  117   2HG   LYS  16          2HG       LYS  16  -7.790  34.371  19.084
  118   1HD   LYS  16          1HD       LYS  16  -8.638  34.192  21.353
  119   2HD   LYS  16          2HD       LYS  16  -7.065  33.652  21.940
  120   1HE   LYS  16          1HE       LYS  16  -7.278  36.292  20.502
  121   2HE   LYS  16          2HE       LYS  16  -7.709  36.183  22.220
  122   1HZ   LYS  16          1HZ       LYS  16  -5.241  34.909  21.223
  123   2HZ   LYS  16          2HZ       LYS  16  -5.244  36.572  21.559
  124   3HZ   LYS  16          3HZ       LYS  16  -5.603  35.457  22.790
  125    H    ASN  17           H        ASN  17 -11.368  32.712  20.343
  126    HA   ASN  17           HA       ASN  17 -12.966  33.996  19.183
  127   1HB   ASN  17          1HB       ASN  17 -10.426  35.200  18.038
  128   2HB   ASN  17          2HB       ASN  17 -12.019  35.956  18.027
  129   2HD2  ASN  17          2HD2      ASN  17  -9.212  36.301  19.590
  130   1HD2  ASN  17          1HD2      ASN  17  -9.749  36.671  21.156
  131    H    GLY  18           H        GLY  18 -12.650  31.516  18.072
  132   1HA   GLY  18          1HA       GLY  18 -13.088  32.096  15.205
  133   2HA   GLY  18          2HA       GLY  18 -13.503  30.594  16.028
  134    H    LYS  19           H        LYS  19 -10.382  31.587  16.874
  135    HA   LYS  19           HA       LYS  19  -9.105  30.143  14.601
  136   1HB   LYS  19          1HB       LYS  19  -8.383  32.434  15.413
  137   2HB   LYS  19          2HB       LYS  19  -7.857  31.661  16.909
  138   1HG   LYS  19          1HG       LYS  19  -6.916  30.491  14.322
  139   2HG   LYS  19          2HG       LYS  19  -6.178  31.998  14.864
  140   1HD   LYS  19          1HD       LYS  19  -6.481  29.794  16.863
  141   2HD   LYS  19          2HD       LYS  19  -5.221  29.629  15.640
  142   1HE   LYS  19          1HE       LYS  19  -4.767  32.192  16.368
  143   2HE   LYS  19          2HE       LYS  19  -5.429  31.572  17.892
  144   1HZ   LYS  19          1HZ       LYS  19  -3.556  29.851  16.458
  145   2HZ   LYS  19          2HZ       LYS  19  -2.893  31.227  17.195
  146   3HZ   LYS  19          3HZ       LYS  19  -3.744  30.091  18.129
  147    H    LEU  20           H        LEU  20  -8.977  27.950  14.962
  148    HA   LEU  20           HA       LEU  20  -8.618  26.939  17.735
  149   1HB   LEU  20          1HB       LEU  20 -10.263  26.134  15.841
  150   2HB   LEU  20          2HB       LEU  20  -8.847  25.267  15.244
  151    HG   LEU  20           HG       LEU  20 -10.167  24.999  17.957
  152   1HD1  LEU  20          1HD1      LEU  20 -10.626  23.689  15.575
  153   2HD1  LEU  20          2HD1      LEU  20  -9.461  22.628  16.365
  154   3HD1  LEU  20          3HD1      LEU  20 -10.977  23.028  17.172
  155   1HD2  LEU  20          1HD2      LEU  20  -7.462  24.079  16.972
  156   2HD2  LEU  20          2HD2      LEU  20  -7.840  24.966  18.449
  157   3HD2  LEU  20          3HD2      LEU  20  -8.296  23.268  18.298
  158    H    PHE  21           H        PHE  21  -6.432  27.128  18.273
  159    HA   PHE  21           HA       PHE  21  -4.368  26.404  16.272
  160   1HB   PHE  21          1HB       PHE  21  -2.877  27.044  18.309
  161   2HB   PHE  21          2HB       PHE  21  -3.801  28.320  17.523
  162    HD1  PHE  21           HD1      PHE  21  -3.673  26.067  20.472
  163    HD2  PHE  21           HD2      PHE  21  -5.593  29.449  18.647
  164    HE1  PHE  21           HE1      PHE  21  -4.800  26.586  22.618
  165    HE2  PHE  21           HE2      PHE  21  -6.717  29.969  20.795
  166    HZ   PHE  21           HZ       PHE  21  -6.321  28.538  22.780
  167    H    CYS  22           H        CYS  22  -5.513  24.134  16.446
  168    HA   CYS  22           HA       CYS  22  -5.286  22.397  18.625
  169   1HB   CYS  22          1HB       CYS  22  -6.056  22.251  16.023
  170   2HB   CYS  22          2HB       CYS  22  -4.565  21.311  15.963
  171    HA   PRO  23           HA       PRO  23  -0.813  21.252  17.120
  172   1HB   PRO  23          1HB       PRO  23   0.266  23.597  15.848
  173   2HB   PRO  23          2HB       PRO  23   0.009  21.997  15.148
  174   1HG   PRO  23          1HG       PRO  23  -1.442  24.391  14.586
  175   2HG   PRO  23          2HG       PRO  23  -1.757  22.772  13.958
  176   1HD   PRO  23          1HD       PRO  23  -3.273  24.273  15.930
  177   2HD   PRO  23          2HD       PRO  23  -3.671  22.705  15.194
  178    H    GLN  24           H        GLN  24  -0.891  21.664  19.486
  179    HA   GLN  24           HA       GLN  24   0.581  24.159  20.274
  180   1HB   GLN  24          1HB       GLN  24  -1.675  24.227  21.095
  181   2HB   GLN  24          2HB       GLN  24  -1.600  22.545  21.618
  182   1HG   GLN  24          1HG       GLN  24   0.181  23.174  23.253
  183   2HG   GLN  24          2HG       GLN  24  -0.017  24.859  22.776
  184   2HE2  GLN  24          2HE2      GLN  24  -1.893  22.084  24.094
  185   1HE2  GLN  24          1HE2      GLN  24  -2.987  23.044  24.968
  186    H    ASP  25           H        ASP  25  -0.199  21.351  22.263
  187    HA   ASP  25           HA       ASP  25   2.725  20.682  22.385
  188   1HB   ASP  25          1HB       ASP  25   1.424  21.954  24.322
  189   2HB   ASP  25          2HB       ASP  25   0.867  20.326  24.712
  190    H    LYS  26           H        LYS  26   1.806  19.105  20.632
  191    HA   LYS  26           HA       LYS  26   0.016  16.987  21.348
  192   1HB   LYS  26          1HB       LYS  26   2.038  17.601  19.245
  193   2HB   LYS  26          2HB       LYS  26   1.519  15.922  19.390
  194   1HG   LYS  26          1HG       LYS  26  -0.841  16.642  19.212
  195   2HG   LYS  26          2HG       LYS  26  -0.315  18.317  19.051
  196   1HD   LYS  26          1HD       LYS  26   1.094  17.495  17.055
  197   2HD   LYS  26          2HD       LYS  26   0.122  16.025  17.131
  198   1HE   LYS  26          1HE       LYS  26  -1.944  17.404  16.906
  199   2HE   LYS  26          2HE       LYS  26  -0.932  18.854  16.754
  200   1HZ   LYS  26          1HZ       LYS  26  -0.525  16.450  15.066
  201   2HZ   LYS  26          2HZ       LYS  26  -1.579  17.694  14.603
  202   3HZ   LYS  26          3HZ       LYS  26   0.074  18.020  14.817
  203    H    LYS  27           H        LYS  27   3.142  17.631  22.501
  204    HA   LYS  27           HA       LYS  27   4.566  15.279  22.668
  205   1HB   LYS  27          1HB       LYS  27   3.908  17.444  24.659
  206   2HB   LYS  27          2HB       LYS  27   4.984  16.122  25.107
  207   1HG   LYS  27          1HG       LYS  27   6.477  16.652  23.254
  208   2HG   LYS  27          2HG       LYS  27   5.366  17.894  22.676
  209   1HD   LYS  27          1HD       LYS  27   5.642  19.023  24.941
  210   2HD   LYS  27          2HD       LYS  27   6.959  17.892  25.251
  211   1HE   LYS  27          1HE       LYS  27   8.163  18.708  23.269
  212   2HE   LYS  27          2HE       LYS  27   6.820  19.802  22.887
  213   1HZ   LYS  27          1HZ       LYS  27   8.017  19.823  25.581
  214   2HZ   LYS  27          2HZ       LYS  27   8.791  20.660  24.325
  215   3HZ   LYS  27          3HZ       LYS  27   7.201  21.068  24.763
  216    H    PHE  28           H        PHE  28   1.456  15.952  24.159
  217    HA   PHE  28           HA       PHE  28   1.312  13.966  26.150
  218   1HB   PHE  28          1HB       PHE  28  -0.846  14.776  24.176
  219   2HB   PHE  28          2HB       PHE  28  -1.088  14.189  25.820
  220    HD1  PHE  28           HD1      PHE  28   0.756  15.596  27.473
  221    HD2  PHE  28           HD2      PHE  28  -1.365  17.046  24.031
  222    HE1  PHE  28           HE1      PHE  28   0.948  17.916  28.329
  223    HE2  PHE  28           HE2      PHE  28  -1.176  19.363  24.888
  224    HZ   PHE  28           HZ       PHE  28  -0.019  19.800  27.036
  225    H    PHE  29           H        PHE  29   1.500  13.620  22.705
  226    HA   PHE  29           HA       PHE  29   0.203  11.235  22.102
  227   1HB   PHE  29          1HB       PHE  29   1.573  12.716  20.603
  228   2HB   PHE  29          2HB       PHE  29   3.028  12.020  21.314
  229    HD1  PHE  29           HD1      PHE  29   3.279   9.446  21.228
  230    HD2  PHE  29           HD2      PHE  29   0.504  11.649  18.798
  231    HE1  PHE  29           HE1      PHE  29   3.131   7.531  19.660
  232    HE2  PHE  29           HE2      PHE  29   0.357   9.733  17.230
  233    HZ   PHE  29           HZ       PHE  29   1.671   7.674  17.660
  234    H    GLN  30           H        GLN  30   2.975  11.705  24.173
  235    HA   GLN  30           HA       GLN  30   3.982   9.007  24.168
  236   1HB   GLN  30          1HB       GLN  30   4.105  11.348  26.086
  237   2HB   GLN  30          2HB       GLN  30   5.018   9.859  26.338
  238   1HG   GLN  30          1HG       GLN  30   5.413  10.652  23.632
  239   2HG   GLN  30          2HG       GLN  30   5.657  12.080  24.637
  240   2HE2  GLN  30          2HE2      GLN  30   7.436   9.727  23.266
  241   1HE2  GLN  30          1HE2      GLN  30   8.628   9.497  24.451
  242    H    SER  31           H        SER  31   1.041  10.221  25.288
  243    HA   SER  31           HA       SER  31   0.758   7.917  27.190
  244   1HB   SER  31          1HB       SER  31  -0.275  10.764  27.404
  245   2HB   SER  31          2HB       SER  31  -0.684   9.468  28.528
  246    HG   SER  31           HG       SER  31   1.422   9.343  29.157
  247    H    LEU  32           H        LEU  32  -1.584   7.269  27.447
  248    HA   LEU  32           HA       LEU  32  -2.870   6.878  24.917
  249   1HB   LEU  32          1HB       LEU  32  -2.974   5.637  27.236
  250   2HB   LEU  32          2HB       LEU  32  -4.296   6.760  27.557
  251    HG   LEU  32           HG       LEU  32  -4.186   5.117  25.025
  252   1HD1  LEU  32          1HD1      LEU  32  -5.029   4.343  27.788
  253   2HD1  LEU  32          2HD1      LEU  32  -6.015   3.786  26.436
  254   3HD1  LEU  32          3HD1      LEU  32  -4.307   3.354  26.519
  255   1HD2  LEU  32          1HD2      LEU  32  -6.092   6.941  26.386
  256   2HD2  LEU  32          2HD2      LEU  32  -5.860   6.637  24.664
  257   3HD2  LEU  32          3HD2      LEU  32  -6.796   5.506  25.641
  258    H    ASP  33           H        ASP  33  -3.763   8.964  27.678
  259    HA   ASP  33           HA       ASP  33  -6.042  10.194  26.542
  260   1HB   ASP  33          1HB       ASP  33  -3.889  11.271  28.397
  261   2HB   ASP  33          2HB       ASP  33  -5.467  12.023  28.162
  262    H    GLY  34           H        GLY  34  -2.596  10.986  26.235
  263   1HA   GLY  34          1HA       GLY  34  -1.494  12.468  24.774
  264   2HA   GLY  34          2HA       GLY  34  -3.011  13.357  24.635
  265    H    ILE  35           H        ILE  35  -2.164   9.988  23.853
  266    HA   ILE  35           HA       ILE  35  -2.087  10.212  21.036
  267    HB   ILE  35           HB       ILE  35  -2.749   8.076  23.046
  268   1HG1  ILE  35          1HG1      ILE  35  -0.402   8.777  22.534
  269   2HG1  ILE  35          2HG1      ILE  35  -0.709   7.081  22.157
  270   1HG2  ILE  35          1HG2      ILE  35  -4.258   7.658  21.113
  271   2HG2  ILE  35          2HG2      ILE  35  -2.862   7.695  20.036
  272   3HG2  ILE  35          3HG2      ILE  35  -3.006   6.423  21.248
  273   1HD1  ILE  35          1HD1      ILE  35  -1.318   8.911  19.936
  274   2HD1  ILE  35          2HD1      ILE  35   0.381   8.913  20.407
  275   3HD1  ILE  35          3HD1      ILE  35  -0.399   7.406  19.931
  276    H    MET  36           H        MET  36  -4.822   9.914  23.261
  277    HA   MET  36           HA       MET  36  -6.832   9.588  21.182
  278   1HB   MET  36          1HB       MET  36  -6.684  10.062  24.122
  279   2HB   MET  36          2HB       MET  36  -8.195  10.481  23.315
  280   1HG   MET  36          1HG       MET  36  -6.800   7.791  23.140
  281   2HG   MET  36          2HG       MET  36  -8.224   8.137  24.121
  282   1HE   MET  36          1HE       MET  36 -10.215   8.320  23.670
  283   2HE   MET  36          2HE       MET  36 -10.664   9.418  22.357
  284   3HE   MET  36          3HE       MET  36 -11.073   7.708  22.258
  285    H    PHE  37           H        PHE  37  -6.342  12.329  23.460
  286    HA   PHE  37           HA       PHE  37  -7.908  14.228  22.162
  287   1HB   PHE  37          1HB       PHE  37  -7.053  15.369  23.919
  288   2HB   PHE  37          2HB       PHE  37  -5.846  14.107  24.148
  289    HD1  PHE  37           HD1      PHE  37  -3.613  14.298  23.098
  290    HD2  PHE  37           HD2      PHE  37  -6.516  17.443  22.811
  291    HE1  PHE  37           HE1      PHE  37  -1.841  15.860  22.353
  292    HE2  PHE  37           HE2      PHE  37  -4.744  19.010  22.063
  293    HZ   PHE  37           HZ       PHE  37  -2.408  18.210  21.832
  294    H    ILE  38           H        ILE  38  -4.437  13.560  21.506
  295    HA   ILE  38           HA       ILE  38  -4.022  15.347  19.380
  296    HB   ILE  38           HB       ILE  38  -3.040  12.542  19.957
  297   1HG1  ILE  38          1HG1      ILE  38  -1.956  15.338  20.363
  298   2HG1  ILE  38          2HG1      ILE  38  -2.296  14.121  21.591
  299   1HG2  ILE  38          1HG2      ILE  38  -2.899  13.090  17.505
  300   2HG2  ILE  38          2HG2      ILE  38  -1.911  14.489  17.925
  301   3HG2  ILE  38          3HG2      ILE  38  -1.326  12.861  18.269
  302   1HD1  ILE  38          1HD1      ILE  38  -0.520  12.871  19.817
  303   2HD1  ILE  38          2HD1      ILE  38   0.112  14.506  20.015
  304   3HD1  ILE  38          3HD1      ILE  38  -0.142  13.481  21.428
  305    H    ASN  39           H        ASN  39  -5.532  12.127  19.351
  306    HA   ASN  39           HA       ASN  39  -5.884  11.964  16.492
  307   1HB   ASN  39          1HB       ASN  39  -7.279  10.712  18.877
  308   2HB   ASN  39          2HB       ASN  39  -7.601  10.233  17.212
  309   2HD2  ASN  39          2HD2      ASN  39  -6.430   8.466  19.216
  310   1HD2  ASN  39          1HD2      ASN  39  -4.863   8.078  18.694
  311    H    LYS  40           H        LYS  40  -7.814  13.284  19.139
  312    HA   LYS  40           HA       LYS  40 -10.085  13.963  17.398
  313   1HB   LYS  40          1HB       LYS  40  -9.991  13.310  19.933
  314   2HB   LYS  40          2HB       LYS  40  -9.559  15.001  20.181
  315   1HG   LYS  40          1HG       LYS  40 -11.616  15.616  18.829
  316   2HG   LYS  40          2HG       LYS  40 -12.077  13.915  18.895
  317   1HD   LYS  40          1HD       LYS  40 -12.674  14.034  21.092
  318   2HD   LYS  40          2HD       LYS  40 -11.330  15.101  21.498
  319   1HE   LYS  40          1HE       LYS  40 -12.511  17.039  20.765
  320   2HE   LYS  40          2HE       LYS  40 -13.719  16.069  19.901
  321   1HZ   LYS  40          1HZ       LYS  40 -14.117  15.004  22.183
  322   2HZ   LYS  40          2HZ       LYS  40 -13.318  16.357  22.820
  323   3HZ   LYS  40          3HZ       LYS  40 -14.747  16.560  21.924
  324    H    CYS  41           H        CYS  41  -7.071  15.342  18.273
  325    HA   CYS  41           HA       CYS  41  -7.681  18.147  18.192
  326   1HB   CYS  41          1HB       CYS  41  -5.597  17.362  19.083
  327   2HB   CYS  41          2HB       CYS  41  -5.241  16.446  17.623
  328    H    ALA  42           H        ALA  42  -5.856  16.367  15.708
  329    HA   ALA  42           HA       ALA  42  -6.178  18.141  13.577
  330   1HB   ALA  42          1HB       ALA  42  -4.940  15.825  13.912
  331   2HB   ALA  42          2HB       ALA  42  -5.388  16.356  12.291
  332   3HB   ALA  42          3HB       ALA  42  -6.387  15.177  13.140
  333    H    THR  43           H        THR  43  -8.497  15.819  14.864
  334    HA   THR  43           HA       THR  43 -10.374  16.101  12.632
  335    HB   THR  43           HB       THR  43 -10.599  14.956  15.437
  336    HG1  THR  43           HG1      THR  43 -10.395  12.982  14.195
  337   1HG2  THR  43          1HG2      THR  43 -12.774  15.591  14.285
  338   2HG2  THR  43          2HG2      THR  43 -12.367  14.404  13.046
  339   3HG2  THR  43          3HG2      THR  43 -12.617  13.888  14.714
  340    H    CYS  44           H        CYS  44 -10.410  17.089  16.078
  341    HA   CYS  44           HA       CYS  44 -12.768  18.614  16.087
  342   1HB   CYS  44          1HB       CYS  44 -11.554  18.116  18.104
  343   2HB   CYS  44          2HB       CYS  44 -10.107  18.924  17.502
  344    H    LYS  45           H        LYS  45  -9.640  19.355  14.692
  345    HA   LYS  45           HA       LYS  45  -9.960  22.206  14.437
  346   1HB   LYS  45          1HB       LYS  45  -7.807  21.087  14.262
  347   2HB   LYS  45          2HB       LYS  45  -8.378  20.121  12.901
  348   1HG   LYS  45          1HG       LYS  45  -8.897  22.567  11.915
  349   2HG   LYS  45          2HG       LYS  45  -7.558  22.985  12.984
  350   1HD   LYS  45          1HD       LYS  45  -6.350  20.953  11.908
  351   2HD   LYS  45          2HD       LYS  45  -7.576  21.081  10.647
  352   1HE   LYS  45          1HE       LYS  45  -6.934  23.468  10.297
  353   2HE   LYS  45          2HE       LYS  45  -5.653  23.274  11.509
  354   1HZ   LYS  45          1HZ       LYS  45  -5.936  21.399   9.235
  355   2HZ   LYS  45          2HZ       LYS  45  -5.045  22.837   9.077
  356   3HZ   LYS  45          3HZ       LYS  45  -4.579  21.667  10.217
  357    H    MET  46           H        MET  46 -10.542  19.515  12.139
  358    HA   MET  46           HA       MET  46 -11.532  21.145  10.002
  359   1HB   MET  46          1HB       MET  46 -12.328  19.000   9.136
  360   2HB   MET  46          2HB       MET  46 -10.746  18.775   9.877
  361   1HG   MET  46          1HG       MET  46 -11.575  17.376  11.445
  362   2HG   MET  46          2HG       MET  46 -12.927  18.450  11.795
  363   1HE   MET  46          1HE       MET  46 -15.005  18.569  10.813
  364   2HE   MET  46          2HE       MET  46 -14.592  18.759   9.111
  365   3HE   MET  46          3HE       MET  46 -15.738  17.513   9.598
  366    H    ILE  47           H        ILE  47 -12.977  20.034  12.962
  367    HA   ILE  47           HA       ILE  47 -15.746  20.122  12.290
  368    HB   ILE  47           HB       ILE  47 -14.319  20.877  14.865
  369   1HG1  ILE  47          1HG1      ILE  47 -13.709  18.629  13.919
  370   2HG1  ILE  47          2HG1      ILE  47 -14.530  18.539  15.475
  371   1HG2  ILE  47          1HG2      ILE  47 -17.160  20.433  14.107
  372   2HG2  ILE  47          2HG2      ILE  47 -16.632  19.707  15.625
  373   3HG2  ILE  47          3HG2      ILE  47 -16.479  21.447  15.380
  374   1HD1  ILE  47          1HD1      ILE  47 -16.093  18.396  12.904
  375   2HD1  ILE  47          2HD1      ILE  47 -15.322  16.956  13.570
  376   3HD1  ILE  47          3HD1      ILE  47 -16.547  17.814  14.506
  377    H    LEU  48           H        LEU  48 -13.473  22.675  13.259
  378    HA   LEU  48           HA       LEU  48 -15.477  24.780  13.378
  379   1HB   LEU  48          1HB       LEU  48 -12.455  24.640  13.242
  380   2HB   LEU  48          2HB       LEU  48 -13.317  26.176  13.339
  381    HG   LEU  48           HG       LEU  48 -12.728  25.524  15.589
  382   1HD1  LEU  48          1HD1      LEU  48 -15.164  26.295  14.937
  383   2HD1  LEU  48          2HD1      LEU  48 -15.597  24.656  15.424
  384   3HD1  LEU  48          3HD1      LEU  48 -14.827  25.745  16.578
  385   1HD2  LEU  48          1HD2      LEU  48 -12.562  23.034  14.856
  386   2HD2  LEU  48          2HD2      LEU  48 -13.089  23.384  16.501
  387   3HD2  LEU  48          3HD2      LEU  48 -14.275  22.958  15.267
  388    H    GLU  49           H        GLU  49 -13.122  23.659  10.950
  389    HA   GLU  49           HA       GLU  49 -13.429  25.705   9.018
  390   1HB   GLU  49          1HB       GLU  49 -13.013  22.715   8.689
  391   2HB   GLU  49          2HB       GLU  49 -12.648  23.930   7.464
  392   1HG   GLU  49          1HG       GLU  49 -11.052  25.007   9.028
  393   2HG   GLU  49          2HG       GLU  49 -11.397  23.756  10.223
  394    H    LYS  50           H        LYS  50 -15.579  23.081   9.901
  395    HA   LYS  50           HA       LYS  50 -17.194  23.029   7.520
  396   1HB   LYS  50          1HB       LYS  50 -17.635  22.315  10.430
  397   2HB   LYS  50          2HB       LYS  50 -18.840  21.994   9.183
  398   1HG   LYS  50          1HG       LYS  50 -15.977  21.052   8.937
  399   2HG   LYS  50          2HG       LYS  50 -17.222  20.078   9.717
  400   1HD   LYS  50          1HD       LYS  50 -18.596  20.249   7.635
  401   2HD   LYS  50          2HD       LYS  50 -17.263  21.108   6.864
  402   1HE   LYS  50          1HE       LYS  50 -16.875  18.381   8.125
  403   2HE   LYS  50          2HE       LYS  50 -17.360  18.576   6.430
  404   1HZ   LYS  50          1HZ       LYS  50 -15.032  19.947   7.674
  405   2HZ   LYS  50          2HZ       LYS  50 -14.908  18.520   6.767
  406   3HZ   LYS  50          3HZ       LYS  50 -15.457  19.949   6.029
  407    H    GLU  51           H        GLU  51 -17.285  24.993  10.472
  408    HA   GLU  51           HA       GLU  51 -19.861  26.190  10.054
  409   1HB   GLU  51          1HB       GLU  51 -17.356  27.204  11.440
  410   2HB   GLU  51          2HB       GLU  51 -18.984  27.833  11.693
  411   1HG   GLU  51          1HG       GLU  51 -19.725  25.644  12.515
  412   2HG   GLU  51          2HG       GLU  51 -18.127  24.967  12.203
  413    H    ALA  52           H        ALA  52 -16.716  26.779   8.643
  414    HA   ALA  52           HA       ALA  52 -17.209  29.479   7.720
  415   1HB   ALA  52          1HB       ALA  52 -15.074  27.802   7.945
  416   2HB   ALA  52          2HB       ALA  52 -15.064  29.253   6.943
  417   3HB   ALA  52          3HB       ALA  52 -15.392  27.681   6.214
  418    H    LYS  53           H        LYS  53 -18.111  26.310   6.568
  419    HA   LYS  53           HA       LYS  53 -18.642  27.151   3.812
  420   1HB   LYS  53          1HB       LYS  53 -19.187  24.710   5.513
  421   2HB   LYS  53          2HB       LYS  53 -19.756  24.826   3.848
  422   1HG   LYS  53          1HG       LYS  53 -17.427  25.242   3.098
  423   2HG   LYS  53          2HG       LYS  53 -16.874  25.068   4.764
  424   1HD   LYS  53          1HD       LYS  53 -17.763  22.762   4.815
  425   2HD   LYS  53          2HD       LYS  53 -18.303  22.936   3.145
  426   1HE   LYS  53          1HE       LYS  53 -16.006  23.206   2.374
  427   2HE   LYS  53          2HE       LYS  53 -15.412  23.216   4.045
  428   1HZ   LYS  53          1HZ       LYS  53 -17.112  21.004   3.086
  429   2HZ   LYS  53          2HZ       LYS  53 -15.453  20.993   2.734
  430   3HZ   LYS  53          3HZ       LYS  53 -15.978  21.009   4.350
  431    H    SER  54           H        SER  54 -20.399  27.056   6.835
  432    HA   SER  54           HA       SER  54 -23.066  27.151   5.672
  433   1HB   SER  54          1HB       SER  54 -21.910  27.813   8.399
  434   2HB   SER  54          2HB       SER  54 -23.639  27.747   8.054
  435    HG   SER  54           HG       SER  54 -21.793  25.711   8.312
  436    H    GLN  55           H        GLN  55 -20.570  29.487   6.311
  437    HA   GLN  55           HA       GLN  55 -22.019  31.608   4.979
  438   1HB   GLN  55          1HB       GLN  55 -22.471  32.992   6.934
  439   2HB   GLN  55          2HB       GLN  55 -23.202  31.408   7.190
  440   1HG   GLN  55          1HG       GLN  55 -21.170  30.725   8.474
  441   2HG   GLN  55          2HG       GLN  55 -20.543  32.363   8.293
  442   2HE2  GLN  55          2HE2      GLN  55 -20.687  32.930  10.550
  443   1HE2  GLN  55          1HE2      GLN  55 -22.173  33.079  11.358

  No H/Q in entry =         443
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -22.996  15.521   8.582
    2    H2   LYS   1           H2       LYS   1 -21.870  14.612   7.693
    3    H3   LYS   1           H3       LYS   1 -22.113  14.284   9.339
    4    HA   LYS   1           HA       LYS   1 -20.206  15.521   9.500
    5   1HB   LYS   1          1HB       LYS   1 -19.641  17.175   7.797
    6   2HB   LYS   1          2HB       LYS   1 -20.229  15.718   6.995
    7   1HG   LYS   1          1HG       LYS   1 -22.506  16.765   6.891
    8   2HG   LYS   1          2HG       LYS   1 -21.808  18.248   7.541
    9   1HD   LYS   1          1HD       LYS   1 -21.837  18.507   5.157
   10   2HD   LYS   1          2HD       LYS   1 -20.161  18.180   5.600
   11   1HE   LYS   1          1HE       LYS   1 -20.433  15.814   4.987
   12   2HE   LYS   1          2HE       LYS   1 -22.143  16.094   4.608
   13   1HZ   LYS   1          1HZ       LYS   1 -20.065  17.809   3.409
   14   2HZ   LYS   1          2HZ       LYS   1 -20.379  16.283   2.729
   15   3HZ   LYS   1          3HZ       LYS   1 -21.617  17.440   2.823
   16    H    ASN   2           H        ASN   2 -22.613  15.880  10.954
   17    HA   ASN   2           HA       ASN   2 -23.090  18.807  11.100
   18   1HB   ASN   2          1HB       ASN   2 -24.900  17.040  11.123
   19   2HB   ASN   2          2HB       ASN   2 -24.284  16.517  12.691
   20   2HD2  ASN   2          2HD2      ASN   2 -26.417  17.202  13.618
   21   1HD2  ASN   2          1HD2      ASN   2 -26.706  18.847  13.923
   22    H    GLU   3           H        GLU   3 -21.878  20.013  12.504
   23    HA   GLU   3           HA       GLU   3 -19.908  19.025  14.267
   24   1HB   GLU   3          1HB       GLU   3 -21.562  21.569  14.351
   25   2HB   GLU   3          2HB       GLU   3 -20.041  21.332  15.212
   26   1HG   GLU   3          1HG       GLU   3 -18.815  21.116  13.166
   27   2HG   GLU   3          2HG       GLU   3 -20.295  20.988  12.216
   28    H    ASP   4           H        ASP   4 -23.356  19.194  14.670
   29    HA   ASP   4           HA       ASP   4 -23.333  19.094  17.597
   30   1HB   ASP   4          1HB       ASP   4 -25.321  18.909  15.354
   31   2HB   ASP   4          2HB       ASP   4 -25.814  18.430  16.977
   32    H    GLN   5           H        GLN   5 -22.322  16.890  15.406
   33    HA   GLN   5           HA       GLN   5 -23.427  14.554  16.935
   34   1HB   GLN   5          1HB       GLN   5 -22.569  14.992  14.069
   35   2HB   GLN   5          2HB       GLN   5 -22.723  13.368  14.739
   36   1HG   GLN   5          1HG       GLN   5 -25.065  13.809  15.323
   37   2HG   GLN   5          2HG       GLN   5 -24.919  15.462  14.728
   38   2HE2  GLN   5          2HE2      GLN   5 -23.887  12.272  13.372
   39   1HE2  GLN   5          1HE2      GLN   5 -24.648  12.502  11.872
   40    H    GLU   6           H        GLU   6 -20.583  16.156  15.658
   41    HA   GLU   6           HA       GLU   6 -18.854  14.227  17.177
   42   1HB   GLU   6          1HB       GLU   6 -18.388  15.664  14.542
   43   2HB   GLU   6          2HB       GLU   6 -17.179  14.680  15.366
   44   1HG   GLU   6          1HG       GLU   6 -18.539  12.698  15.143
   45   2HG   GLU   6          2HG       GLU   6 -19.904  13.640  14.544
   46    H    MET   7           H        MET   7 -20.121  16.933  17.818
   47    HA   MET   7           HA       MET   7 -18.493  19.143  17.782
   48   1HB   MET   7          1HB       MET   7 -19.451  19.607  20.053
   49   2HB   MET   7          2HB       MET   7 -20.656  19.020  18.906
   50   1HG   MET   7          1HG       MET   7 -20.079  16.665  19.832
   51   2HG   MET   7          2HG       MET   7 -19.340  17.534  21.176
   52   1HE   MET   7          1HE       MET   7 -20.829  16.133  22.586
   53   2HE   MET   7          2HE       MET   7 -22.575  16.317  22.796
   54   3HE   MET   7          3HE       MET   7 -21.940  15.452  21.401
   55    H    CYS   8           H        CYS   8 -16.947  19.978  19.475
   56    HA   CYS   8           HA       CYS   8 -15.398  17.861  20.889
   57   1HB   CYS   8          1HB       CYS   8 -14.599  18.350  18.484
   58   2HB   CYS   8          2HB       CYS   8 -14.090  19.921  19.104
   59    H    HIS   9           H        HIS   9 -15.984  18.816  22.904
   60    HA   HIS   9           HA       HIS   9 -15.563  21.701  23.344
   61   1HB   HIS   9          1HB       HIS   9 -16.384  19.381  25.122
   62   2HB   HIS   9          2HB       HIS   9 -16.392  21.071  25.625
   63    HD1  HIS   9           HD1      HIS   9 -17.986  18.794  23.028
   64    HD2  HIS   9           HD2      HIS   9 -18.668  22.479  24.853
   65    HE1  HIS   9           HE1      HIS   9 -20.273  19.562  22.258
   66    H    GLU  10           H        GLU  10 -13.746  18.782  23.631
   67    HA   GLU  10           HA       GLU  10 -12.024  19.462  25.829
   68   1HB   GLU  10          1HB       GLU  10 -11.779  17.699  23.380
   69   2HB   GLU  10          2HB       GLU  10 -10.544  17.749  24.638
   70   1HG   GLU  10          1HG       GLU  10 -12.209  17.089  26.321
   71   2HG   GLU  10          2HG       GLU  10 -13.471  17.087  25.090
   72    H    PHE  11           H        PHE  11 -11.947  20.240  22.373
   73    HA   PHE  11           HA       PHE  11  -9.308  21.577  22.669
   74   1HB   PHE  11          1HB       PHE  11 -11.132  20.759  20.422
   75   2HB   PHE  11          2HB       PHE  11  -9.822  21.896  20.127
   76    HD1  PHE  11           HD1      PHE  11 -10.598  18.467  21.361
   77    HD2  PHE  11           HD2      PHE  11  -7.555  21.176  20.003
   78    HE1  PHE  11           HE1      PHE  11  -8.987  16.590  21.225
   79    HE2  PHE  11           HE2      PHE  11  -5.944  19.299  19.868
   80    HZ   PHE  11           HZ       PHE  11  -6.660  17.007  20.479
   81    H    GLN  12           H        GLN  12 -12.690  22.332  22.644
   82    HA   GLN  12           HA       GLN  12 -12.887  24.857  21.496
   83   1HB   GLN  12          1HB       GLN  12 -14.714  23.612  22.593
   84   2HB   GLN  12          2HB       GLN  12 -13.976  23.910  24.168
   85   1HG   GLN  12          1HG       GLN  12 -14.149  26.393  23.655
   86   2HG   GLN  12          2HG       GLN  12 -15.129  25.958  22.255
   87   2HE2  GLN  12          2HE2      GLN  12 -15.115  24.490  25.543
   88   1HE2  GLN  12          1HE2      GLN  12 -16.752  24.811  25.857
   89    H    ALA  13           H        ALA  13 -11.131  23.940  24.387
   90    HA   ALA  13           HA       ALA  13 -10.793  26.627  25.439
   91   1HB   ALA  13          1HB       ALA  13  -8.769  25.177  26.498
   92   2HB   ALA  13          2HB       ALA  13 -10.434  25.029  27.059
   93   3HB   ALA  13          3HB       ALA  13  -9.785  23.863  25.906
   94    H    PHE  14           H        PHE  14  -9.237  24.724  22.962
   95    HA   PHE  14           HA       PHE  14  -6.813  26.414  22.917
   96   1HB   PHE  14          1HB       PHE  14  -7.767  24.207  21.066
   97   2HB   PHE  14          2HB       PHE  14  -6.121  24.811  21.227
   98    HD1  PHE  14           HD1      PHE  14  -6.043  25.129  24.234
   99    HD2  PHE  14           HD2      PHE  14  -7.482  21.943  21.741
  100    HE1  PHE  14           HE1      PHE  14  -5.626  23.507  26.065
  101    HE2  PHE  14           HE2      PHE  14  -7.065  20.321  23.567
  102    HZ   PHE  14           HZ       PHE  14  -6.137  21.103  25.732
  103    H    MET  15           H        MET  15  -9.755  27.263  22.131
  104    HA   MET  15           HA       MET  15  -9.251  28.084  19.322
  105   1HB   MET  15          1HB       MET  15 -11.608  28.404  19.255
  106   2HB   MET  15          2HB       MET  15 -11.377  26.960  20.230
  107   1HG   MET  15          1HG       MET  15 -11.430  28.486  22.271
  108   2HG   MET  15          2HG       MET  15 -11.976  29.765  21.188
  109   1HE   MET  15          1HE       MET  15 -14.050  29.761  19.814
  110   2HE   MET  15          2HE       MET  15 -13.678  28.214  19.059
  111   3HE   MET  15          3HE       MET  15 -15.279  28.500  19.758
  112    H    LYS  16           H        LYS  16  -8.303  30.061  19.045
  113    HA   LYS  16           HA       LYS  16  -8.529  32.117  21.181
  114   1HB   LYS  16          1HB       LYS  16  -6.340  31.385  20.155
  115   2HB   LYS  16          2HB       LYS  16  -6.894  32.064  18.625
  116   1HG   LYS  16          1HG       LYS  16  -7.357  34.091  20.500
  117   2HG   LYS  16          2HG       LYS  16  -5.787  33.424  20.948
  118   1HD   LYS  16          1HD       LYS  16  -5.148  33.598  18.488
  119   2HD   LYS  16          2HD       LYS  16  -6.622  34.539  18.261
  120   1HE   LYS  16          1HE       LYS  16  -5.849  36.290  19.681
  121   2HE   LYS  16          2HE       LYS  16  -4.562  35.275  20.358
  122   1HZ   LYS  16          1HZ       LYS  16  -3.773  35.058  17.967
  123   2HZ   LYS  16          2HZ       LYS  16  -4.794  36.364  17.609
  124   3HZ   LYS  16          3HZ       LYS  16  -3.516  36.564  18.711
  125    H    ASN  17           H        ASN  17 -10.786  32.676  20.682
  126    HA   ASN  17           HA       ASN  17 -12.413  34.033  19.647
  127   1HB   ASN  17          1HB       ASN  17  -9.915  35.152  18.337
  128   2HB   ASN  17          2HB       ASN  17 -11.472  35.971  18.452
  129   2HD2  ASN  17          2HD2      ASN  17  -8.512  36.048  19.850
  130   1HD2  ASN  17          1HD2      ASN  17  -8.932  36.470  21.439
  131    H    GLY  18           H        GLY  18 -12.329  31.572  18.485
  132   1HA   GLY  18          1HA       GLY  18 -12.908  32.216  15.659
  133   2HA   GLY  18          2HA       GLY  18 -13.342  30.721  16.487
  134    H    LYS  19           H        LYS  19 -10.101  31.752  16.984
  135    HA   LYS  19           HA       LYS  19  -9.051  30.199  14.684
  136   1HB   LYS  19          1HB       LYS  19  -8.252  32.494  15.664
  137   2HB   LYS  19          2HB       LYS  19  -7.440  31.498  16.872
  138   1HG   LYS  19          1HG       LYS  19  -7.131  31.012  13.903
  139   2HG   LYS  19          2HG       LYS  19  -6.063  32.095  14.796
  140   1HD   LYS  19          1HD       LYS  19  -5.594  30.187  16.381
  141   2HD   LYS  19          2HD       LYS  19  -6.495  29.135  15.290
  142   1HE   LYS  19          1HE       LYS  19  -3.960  29.170  14.931
  143   2HE   LYS  19          2HE       LYS  19  -4.925  29.541  13.489
  144   1HZ   LYS  19          1HZ       LYS  19  -4.199  31.716  15.331
  145   2HZ   LYS  19          2HZ       LYS  19  -3.021  31.149  14.249
  146   3HZ   LYS  19          3HZ       LYS  19  -4.486  31.775  13.658
  147    H    LEU  20           H        LEU  20  -8.390  28.088  14.918
  148    HA   LEU  20           HA       LEU  20  -8.209  26.995  17.699
  149   1HB   LEU  20          1HB       LEU  20  -9.849  26.214  15.792
  150   2HB   LEU  20          2HB       LEU  20  -8.428  25.362  15.186
  151    HG   LEU  20           HG       LEU  20  -9.677  25.078  17.934
  152   1HD1  LEU  20          1HD1      LEU  20 -10.287  23.839  15.517
  153   2HD1  LEU  20          2HD1      LEU  20  -9.219  22.687  16.318
  154   3HD1  LEU  20          3HD1      LEU  20 -10.693  23.230  17.121
  155   1HD2  LEU  20          1HD2      LEU  20  -7.129  23.938  16.757
  156   2HD2  LEU  20          2HD2      LEU  20  -7.284  24.947  18.196
  157   3HD2  LEU  20          3HD2      LEU  20  -7.901  23.295  18.206
  158    H    PHE  21           H        PHE  21  -6.068  26.973  18.322
  159    HA   PHE  21           HA       PHE  21  -3.977  26.371  16.289
  160   1HB   PHE  21          1HB       PHE  21  -2.495  26.973  18.330
  161   2HB   PHE  21          2HB       PHE  21  -3.445  28.267  17.604
  162    HD1  PHE  21           HD1      PHE  21  -3.218  25.927  20.470
  163    HD2  PHE  21           HD2      PHE  21  -5.285  29.290  18.775
  164    HE1  PHE  21           HE1      PHE  21  -4.334  26.337  22.645
  165    HE2  PHE  21           HE2      PHE  21  -6.402  29.699  20.952
  166    HZ   PHE  21           HZ       PHE  21  -5.925  28.223  22.886
  167    H    CYS  22           H        CYS  22  -5.188  24.104  16.443
  168    HA   CYS  22           HA       CYS  22  -4.937  22.335  18.596
  169   1HB   CYS  22          1HB       CYS  22  -5.820  22.226  16.048
  170   2HB   CYS  22          2HB       CYS  22  -4.324  21.309  15.873
  171    HA   PRO  23           HA       PRO  23  -0.530  21.137  16.962
  172   1HB   PRO  23          1HB       PRO  23   0.563  23.470  15.683
  173   2HB   PRO  23          2HB       PRO  23   0.247  21.885  14.973
  174   1HG   PRO  23          1HG       PRO  23  -1.158  24.317  14.476
  175   2HG   PRO  23          2HG       PRO  23  -1.539  22.712  13.849
  176   1HD   PRO  23          1HD       PRO  23  -2.938  24.243  15.891
  177   2HD   PRO  23          2HD       PRO  23  -3.417  22.706  15.141
  178    H    GLN  24           H        GLN  24  -0.664  21.639  19.386
  179    HA   GLN  24           HA       GLN  24   1.072  23.990  20.059
  180   1HB   GLN  24          1HB       GLN  24  -0.228  23.893  22.259
  181   2HB   GLN  24          2HB       GLN  24  -1.166  24.381  20.849
  182   1HG   GLN  24          1HG       GLN  24  -2.255  22.300  20.702
  183   2HG   GLN  24          2HG       GLN  24  -1.023  21.482  21.660
  184   2HE2  GLN  24          2HE2      GLN  24  -1.057  21.838  24.019
  185   1HE2  GLN  24          1HE2      GLN  24  -2.447  22.438  24.785
  186    H    ASP  25           H        ASP  25   0.349  22.086  22.748
  187    HA   ASP  25           HA       ASP  25   3.049  20.868  22.685
  188   1HB   ASP  25          1HB       ASP  25   2.358  22.129  24.650
  189   2HB   ASP  25          2HB       ASP  25   0.881  21.174  24.786
  190    H    LYS  26           H        LYS  26   2.031  19.391  20.875
  191    HA   LYS  26           HA       LYS  26   0.103  17.378  21.587
  192   1HB   LYS  26          1HB       LYS  26   2.196  17.765  19.454
  193   2HB   LYS  26          2HB       LYS  26   1.252  16.277  19.522
  194   1HG   LYS  26          1HG       LYS  26  -0.812  17.470  19.258
  195   2HG   LYS  26          2HG       LYS  26  -0.019  19.025  19.519
  196   1HD   LYS  26          1HD       LYS  26   0.368  19.187  17.309
  197   2HD   LYS  26          2HD       LYS  26   1.333  17.713  17.376
  198   1HE   LYS  26          1HE       LYS  26  -0.693  16.347  17.063
  199   2HE   LYS  26          2HE       LYS  26  -1.690  17.814  17.048
  200   1HZ   LYS  26          1HZ       LYS  26   0.647  17.513  15.256
  201   2HZ   LYS  26          2HZ       LYS  26  -0.873  16.909  14.807
  202   3HZ   LYS  26          3HZ       LYS  26  -0.675  18.570  15.103
  203    H    LYS  27           H        LYS  27   3.241  17.803  22.727
  204    HA   LYS  27           HA       LYS  27   4.574  15.392  22.729
  205   1HB   LYS  27          1HB       LYS  27   4.000  17.397  24.918
  206   2HB   LYS  27          2HB       LYS  27   5.123  16.062  25.159
  207   1HG   LYS  27          1HG       LYS  27   6.470  16.811  23.255
  208   2HG   LYS  27          2HG       LYS  27   5.317  18.104  22.925
  209   1HD   LYS  27          1HD       LYS  27   5.774  19.038  25.196
  210   2HD   LYS  27          2HD       LYS  27   7.001  17.793  25.429
  211   1HE   LYS  27          1HE       LYS  27   8.062  19.881  24.652
  212   2HE   LYS  27          2HE       LYS  27   8.184  18.647  23.383
  213   1HZ   LYS  27          1HZ       LYS  27   5.857  20.469  23.553
  214   2HZ   LYS  27          2HZ       LYS  27   7.267  20.930  22.724
  215   3HZ   LYS  27          3HZ       LYS  27   6.392  19.563  22.223
  216    H    PHE  28           H        PHE  28   1.495  16.081  24.275
  217    HA   PHE  28           HA       PHE  28   1.215  14.110  26.210
  218   1HB   PHE  28          1HB       PHE  28  -0.784  14.829  24.041
  219   2HB   PHE  28          2HB       PHE  28  -1.163  14.220  25.651
  220    HD1  PHE  28           HD1      PHE  28   0.446  15.676  27.489
  221    HD2  PHE  28           HD2      PHE  28  -1.358  17.079  23.852
  222    HE1  PHE  28           HE1      PHE  28   0.463  17.992  28.373
  223    HE2  PHE  28           HE2      PHE  28  -1.343  19.396  24.735
  224    HZ   PHE  28           HZ       PHE  28  -0.431  19.852  26.998
  225    H    PHE  29           H        PHE  29   1.538  13.668  22.755
  226    HA   PHE  29           HA       PHE  29   0.386  11.238  22.161
  227   1HB   PHE  29          1HB       PHE  29   1.805  12.656  20.687
  228   2HB   PHE  29          2HB       PHE  29   3.235  12.090  21.551
  229    HD1  PHE  29           HD1      PHE  29   3.629   9.532  21.646
  230    HD2  PHE  29           HD2      PHE  29   0.949  11.426  18.874
  231    HE1  PHE  29           HE1      PHE  29   3.711   7.523  20.194
  232    HE2  PHE  29           HE2      PHE  29   1.033   9.417  17.421
  233    HZ   PHE  29           HZ       PHE  29   2.413   7.466  18.080
  234    H    GLN  30           H        GLN  30   3.027  11.771  24.407
  235    HA   GLN  30           HA       GLN  30   3.966   9.036  24.521
  236   1HB   GLN  30          1HB       GLN  30   5.255   9.870  26.371
  237   2HB   GLN  30          2HB       GLN  30   5.137  11.191  25.208
  238   1HG   GLN  30          1HG       GLN  30   3.355  12.231  26.480
  239   2HG   GLN  30          2HG       GLN  30   3.260  10.843  27.564
  240   2HE2  GLN  30          2HE2      GLN  30   4.541  13.931  27.341
  241   1HE2  GLN  30          1HE2      GLN  30   5.817  13.775  28.449
  242    H    SER  31           H        SER  31   1.000  10.278  25.410
  243    HA   SER  31           HA       SER  31   0.625   8.101  27.432
  244   1HB   SER  31          1HB       SER  31   0.907  10.134  28.681
  245   2HB   SER  31          2HB       SER  31  -0.136  11.029  27.577
  246    HG   SER  31           HG       SER  31  -1.852   9.635  28.254
  247    H    LEU  32           H        LEU  32  -1.650   7.406  27.596
  248    HA   LEU  32           HA       LEU  32  -2.984   7.061  25.125
  249   1HB   LEU  32          1HB       LEU  32  -3.178   6.044  27.605
  250   2HB   LEU  32          2HB       LEU  32  -4.553   7.149  27.656
  251    HG   LEU  32           HG       LEU  32  -4.134   5.240  25.352
  252   1HD1  LEU  32          1HD1      LEU  32  -5.547   4.778  27.991
  253   2HD1  LEU  32          2HD1      LEU  32  -5.869   3.816  26.549
  254   3HD1  LEU  32          3HD1      LEU  32  -4.262   3.805  27.275
  255   1HD2  LEU  32          1HD2      LEU  32  -5.692   7.155  25.070
  256   2HD2  LEU  32          2HD2      LEU  32  -6.542   5.611  25.043
  257   3HD2  LEU  32          3HD2      LEU  32  -6.587   6.617  26.490
  258    H    ASP  33           H        ASP  33  -3.814   9.302  27.783
  259    HA   ASP  33           HA       ASP  33  -5.993  10.615  26.568
  260   1HB   ASP  33          1HB       ASP  33  -4.941  10.795  28.930
  261   2HB   ASP  33          2HB       ASP  33  -3.862  11.993  28.215
  262    H    GLY  34           H        GLY  34  -2.514  11.083  26.159
  263   1HA   GLY  34          1HA       GLY  34  -1.317  12.429  24.641
  264   2HA   GLY  34          2HA       GLY  34  -2.753  13.440  24.494
  265    H    ILE  35           H        ILE  35  -2.107  10.005  23.784
  266    HA   ILE  35           HA       ILE  35  -2.127  10.151  20.966
  267    HB   ILE  35           HB       ILE  35  -2.876   8.097  23.037
  268   1HG1  ILE  35          1HG1      ILE  35  -0.508   8.555  22.626
  269   2HG1  ILE  35          2HG1      ILE  35  -0.911   6.949  22.020
  270   1HG2  ILE  35          1HG2      ILE  35  -3.291   7.918  20.053
  271   2HG2  ILE  35          2HG2      ILE  35  -2.951   6.477  21.012
  272   3HG2  ILE  35          3HG2      ILE  35  -4.390   7.440  21.346
  273   1HD1  ILE  35          1HD1      ILE  35  -1.441   8.774  19.912
  274   2HD1  ILE  35          2HD1      ILE  35   0.139   9.203  20.569
  275   3HD1  ILE  35          3HD1      ILE  35  -0.159   7.565  19.989
  276    H    MET  36           H        MET  36  -4.778  10.198  23.290
  277    HA   MET  36           HA       MET  36  -6.896   9.850  21.323
  278   1HB   MET  36          1HB       MET  36  -6.618  10.650  24.201
  279   2HB   MET  36          2HB       MET  36  -8.154  10.931  23.383
  280   1HG   MET  36          1HG       MET  36  -6.750   8.252  23.318
  281   2HG   MET  36          2HG       MET  36  -7.914   8.677  24.573
  282   1HE   MET  36          1HE       MET  36  -7.639   6.458  22.665
  283   2HE   MET  36          2HE       MET  36  -9.343   6.144  23.018
  284   3HE   MET  36          3HE       MET  36  -8.802   6.308  21.350
  285    H    PHE  37           H        PHE  37  -6.154  12.721  23.356
  286    HA   PHE  37           HA       PHE  37  -7.612  14.621  21.946
  287   1HB   PHE  37          1HB       PHE  37  -6.631  15.835  23.583
  288   2HB   PHE  37          2HB       PHE  37  -5.520  14.505  23.895
  289    HD1  PHE  37           HD1      PHE  37  -3.315  14.419  22.749
  290    HD2  PHE  37           HD2      PHE  37  -5.943  17.785  22.356
  291    HE1  PHE  37           HE1      PHE  37  -1.443  15.770  21.854
  292    HE2  PHE  37           HE2      PHE  37  -4.072  19.141  21.456
  293    HZ   PHE  37           HZ       PHE  37  -1.825  18.126  21.205
  294    H    ILE  38           H        ILE  38  -4.225  13.637  21.251
  295    HA   ILE  38           HA       ILE  38  -3.740  15.240  18.995
  296    HB   ILE  38           HB       ILE  38  -2.959  12.394  19.692
  297   1HG1  ILE  38          1HG1      ILE  38  -1.664  15.109  20.028
  298   2HG1  ILE  38          2HG1      ILE  38  -2.112  13.964  21.291
  299   1HG2  ILE  38          1HG2      ILE  38  -2.808  13.091  17.187
  300   2HG2  ILE  38          2HG2      ILE  38  -1.498  14.145  17.719
  301   3HG2  ILE  38          3HG2      ILE  38  -1.374  12.400  17.947
  302   1HD1  ILE  38          1HD1      ILE  38  -0.457  12.447  19.690
  303   2HD1  ILE  38          2HD1      ILE  38   0.294  14.040  19.604
  304   3HD1  ILE  38          3HD1      ILE  38   0.043  13.268  21.169
  305    H    ASN  39           H        ASN  39  -5.534  12.186  19.252
  306    HA   ASN  39           HA       ASN  39  -5.959  11.847  16.409
  307   1HB   ASN  39          1HB       ASN  39  -7.307  10.824  18.921
  308   2HB   ASN  39          2HB       ASN  39  -7.773  10.287  17.308
  309   2HD2  ASN  39          2HD2      ASN  39  -6.576   8.555  19.343
  310   1HD2  ASN  39          1HD2      ASN  39  -5.081   8.027  18.732
  311    H    LYS  40           H        LYS  40  -7.776  13.400  19.021
  312    HA   LYS  40           HA       LYS  40 -10.027  14.113  17.265
  313   1HB   LYS  40          1HB       LYS  40  -9.201  14.700  20.120
  314   2HB   LYS  40          2HB       LYS  40 -10.664  15.377  19.407
  315   1HG   LYS  40          1HG       LYS  40 -11.519  13.133  18.949
  316   2HG   LYS  40          2HG       LYS  40 -10.026  12.416  19.555
  317   1HD   LYS  40          1HD       LYS  40 -10.677  13.948  21.684
  318   2HD   LYS  40          2HD       LYS  40 -12.293  13.624  21.054
  319   1HE   LYS  40          1HE       LYS  40 -11.643  11.153  20.988
  320   2HE   LYS  40          2HE       LYS  40 -10.205  11.602  21.926
  321   1HZ   LYS  40          1HZ       LYS  40 -12.869  12.571  22.740
  322   2HZ   LYS  40          2HZ       LYS  40 -12.388  11.002  23.168
  323   3HZ   LYS  40          3HZ       LYS  40 -11.479  12.340  23.690
  324    H    CYS  41           H        CYS  41  -6.966  15.409  18.165
  325    HA   CYS  41           HA       CYS  41  -7.266  18.188  18.072
  326   1HB   CYS  41          1HB       CYS  41  -5.178  16.993  18.521
  327   2HB   CYS  41          2HB       CYS  41  -5.148  16.373  16.874
  328    H    ALA  42           H        ALA  42  -6.223  16.301  15.230
  329    HA   ALA  42           HA       ALA  42  -6.886  18.339  13.324
  330   1HB   ALA  42          1HB       ALA  42  -5.442  16.059  13.344
  331   2HB   ALA  42          2HB       ALA  42  -5.996  16.810  11.848
  332   3HB   ALA  42          3HB       ALA  42  -6.897  15.463  12.545
  333    H    THR  43           H        THR  43  -8.727  15.624  14.649
  334    HA   THR  43           HA       THR  43 -10.896  15.709  12.747
  335    HB   THR  43           HB       THR  43 -10.720  14.750  15.624
  336    HG1  THR  43           HG1      THR  43 -10.655  13.122  13.349
  337   1HG2  THR  43          1HG2      THR  43 -12.852  14.665  13.567
  338   2HG2  THR  43          2HG2      THR  43 -12.547  13.151  14.419
  339   3HG2  THR  43          3HG2      THR  43 -12.979  14.601  15.324
  340    H    CYS  44           H        CYS  44 -10.307  17.287  15.877
  341    HA   CYS  44           HA       CYS  44 -12.947  18.517  16.015
  342   1HB   CYS  44          1HB       CYS  44 -10.304  18.984  17.433
  343   2HB   CYS  44          2HB       CYS  44 -11.821  19.755  17.900
  344    H    LYS  45           H        LYS  45  -9.786  19.395  14.735
  345    HA   LYS  45           HA       LYS  45 -10.172  22.214  14.450
  346   1HB   LYS  45          1HB       LYS  45  -8.005  21.155  14.231
  347   2HB   LYS  45          2HB       LYS  45  -8.581  20.142  12.907
  348   1HG   LYS  45          1HG       LYS  45  -9.165  22.585  11.895
  349   2HG   LYS  45          2HG       LYS  45  -7.774  23.003  12.894
  350   1HD   LYS  45          1HD       LYS  45  -6.491  21.155  11.805
  351   2HD   LYS  45          2HD       LYS  45  -7.871  20.864  10.746
  352   1HE   LYS  45          1HE       LYS  45  -7.689  23.131   9.828
  353   2HE   LYS  45          2HE       LYS  45  -6.366  23.500  10.950
  354   1HZ   LYS  45          1HZ       LYS  45  -6.166  21.062   9.338
  355   2HZ   LYS  45          2HZ       LYS  45  -5.904  22.539   8.545
  356   3HZ   LYS  45          3HZ       LYS  45  -4.938  22.107   9.873
  357    H    MET  46           H        MET  46 -10.862  19.500  12.224
  358    HA   MET  46           HA       MET  46 -11.822  21.094  10.048
  359   1HB   MET  46          1HB       MET  46 -12.831  18.924   9.348
  360   2HB   MET  46          2HB       MET  46 -11.162  18.734   9.880
  361   1HG   MET  46          1HG       MET  46 -11.759  17.444  11.646
  362   2HG   MET  46          2HG       MET  46 -13.108  18.500  12.065
  363   1HE   MET  46          1HE       MET  46 -11.941  16.977   8.989
  364   2HE   MET  46          2HE       MET  46 -12.229  15.297   9.463
  365   3HE   MET  46          3HE       MET  46 -13.284  16.077   8.288
  366    H    ILE  47           H        ILE  47 -13.293  20.070  13.051
  367    HA   ILE  47           HA       ILE  47 -16.051  20.271  12.428
  368    HB   ILE  47           HB       ILE  47 -14.589  21.114  14.953
  369   1HG1  ILE  47          1HG1      ILE  47 -13.829  18.914  14.414
  370   2HG1  ILE  47          2HG1      ILE  47 -15.103  18.699  15.612
  371   1HG2  ILE  47          1HG2      ILE  47 -17.291  21.263  14.320
  372   2HG2  ILE  47          2HG2      ILE  47 -17.158  19.735  15.190
  373   3HG2  ILE  47          3HG2      ILE  47 -16.616  21.231  15.950
  374   1HD1  ILE  47          1HD1      ILE  47 -15.484  18.492  12.609
  375   2HD1  ILE  47          2HD1      ILE  47 -15.350  17.121  13.711
  376   3HD1  ILE  47          3HD1      ILE  47 -16.724  18.218  13.833
  377    H    LEU  48           H        LEU  48 -13.722  22.797  13.393
  378    HA   LEU  48           HA       LEU  48 -15.639  24.960  13.408
  379   1HB   LEU  48          1HB       LEU  48 -12.633  24.690  13.261
  380   2HB   LEU  48          2HB       LEU  48 -13.412  26.272  13.234
  381    HG   LEU  48           HG       LEU  48 -12.801  25.668  15.534
  382   1HD1  LEU  48          1HD1      LEU  48 -15.200  26.650  14.715
  383   2HD1  LEU  48          2HD1      LEU  48 -15.733  25.238  15.629
  384   3HD1  LEU  48          3HD1      LEU  48 -14.751  26.476  16.412
  385   1HD2  LEU  48          1HD2      LEU  48 -12.964  23.168  15.067
  386   2HD2  LEU  48          2HD2      LEU  48 -13.639  23.697  16.609
  387   3HD2  LEU  48          3HD2      LEU  48 -14.710  23.336  15.255
  388    H    GLU  49           H        GLU  49 -13.384  23.668  10.971
  389    HA   GLU  49           HA       GLU  49 -13.772  25.687   8.982
  390   1HB   GLU  49          1HB       GLU  49 -13.116  22.730   8.800
  391   2HB   GLU  49          2HB       GLU  49 -12.896  23.883   7.484
  392   1HG   GLU  49          1HG       GLU  49 -11.628  24.223  10.214
  393   2HG   GLU  49          2HG       GLU  49 -10.815  23.428   8.866
  394    H    LYS  50           H        LYS  50 -15.680  22.881   9.903
  395    HA   LYS  50           HA       LYS  50 -17.291  22.577   7.581
  396   1HB   LYS  50          1HB       LYS  50 -17.670  22.124  10.542
  397   2HB   LYS  50          2HB       LYS  50 -18.945  21.725   9.391
  398   1HG   LYS  50          1HG       LYS  50 -17.159  20.398   8.114
  399   2HG   LYS  50          2HG       LYS  50 -16.151  20.580   9.548
  400   1HD   LYS  50          1HD       LYS  50 -18.082  19.610  10.887
  401   2HD   LYS  50          2HD       LYS  50 -18.844  19.211   9.348
  402   1HE   LYS  50          1HE       LYS  50 -16.978  17.780   8.727
  403   2HE   LYS  50          2HE       LYS  50 -16.061  18.292  10.156
  404   1HZ   LYS  50          1HZ       LYS  50 -18.791  17.197  10.425
  405   2HZ   LYS  50          2HZ       LYS  50 -17.464  16.145  10.298
  406   3HZ   LYS  50          3HZ       LYS  50 -17.549  17.251  11.581
  407    H    GLU  51           H        GLU  51 -17.893  24.547  10.516
  408    HA   GLU  51           HA       GLU  51 -20.330  25.734   9.523
  409   1HB   GLU  51          1HB       GLU  51 -19.974  27.233  11.471
  410   2HB   GLU  51          2HB       GLU  51 -19.700  25.545  11.901
  411   1HG   GLU  51          1HG       GLU  51 -17.445  25.844  12.187
  412   2HG   GLU  51          2HG       GLU  51 -17.337  27.048  10.901
  413    H    ALA  52           H        ALA  52 -16.966  26.380   8.959
  414    HA   ALA  52           HA       ALA  52 -17.125  29.177   8.301
  415   1HB   ALA  52          1HB       ALA  52 -15.264  26.930   8.161
  416   2HB   ALA  52          2HB       ALA  52 -15.091  28.014   6.782
  417   3HB   ALA  52          3HB       ALA  52 -14.926  28.641   8.422
  418    H    LYS  53           H        LYS  53 -18.179  26.326   6.649
  419    HA   LYS  53           HA       LYS  53 -18.079  27.478   3.952
  420   1HB   LYS  53          1HB       LYS  53 -19.244  24.998   5.238
  421   2HB   LYS  53          2HB       LYS  53 -19.447  25.345   3.520
  422   1HG   LYS  53          1HG       LYS  53 -17.012  25.422   3.226
  423   2HG   LYS  53          2HG       LYS  53 -16.778  25.149   4.953
  424   1HD   LYS  53          1HD       LYS  53 -18.112  22.992   4.657
  425   2HD   LYS  53          2HD       LYS  53 -17.958  23.244   2.919
  426   1HE   LYS  53          1HE       LYS  53 -15.481  23.282   3.156
  427   2HE   LYS  53          2HE       LYS  53 -15.661  22.969   4.893
  428   1HZ   LYS  53          1HZ       LYS  53 -17.003  21.273   2.872
  429   2HZ   LYS  53          2HZ       LYS  53 -15.402  20.958   3.344
  430   3HZ   LYS  53          3HZ       LYS  53 -16.649  20.909   4.493
  431    H    SER  54           H        SER  54 -20.539  26.937   6.469
  432    HA   SER  54           HA       SER  54 -22.817  27.737   4.912
  433   1HB   SER  54          1HB       SER  54 -23.875  27.878   7.127
  434   2HB   SER  54          2HB       SER  54 -22.832  26.458   7.050
  435    HG   SER  54           HG       SER  54 -22.000  28.969   8.055
  436    H    GLN  55           H        GLN  55 -20.227  29.539   6.320
  437    HA   GLN  55           HA       GLN  55 -21.787  32.084   6.003
  438   1HB   GLN  55          1HB       GLN  55 -20.931  31.390   8.289
  439   2HB   GLN  55          2HB       GLN  55 -19.296  31.561   7.651
  440   1HG   GLN  55          1HG       GLN  55 -19.821  33.925   7.048
  441   2HG   GLN  55          2HG       GLN  55 -21.405  33.737   7.800
  442   2HE2  GLN  55          2HE2      GLN  55 -18.111  34.511   8.422
  443   1HE2  GLN  55          1HE2      GLN  55 -18.191  34.491  10.118

  No H/Q in entry =         443
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1 -27.748  17.143  14.630
    2    H2   LYS   1           H2       LYS   1 -26.439  16.189  14.116
    3    H3   LYS   1           H3       LYS   1 -27.881  16.199  13.224
    4    HA   LYS   1           HA       LYS   1 -29.059  15.029  14.904
    5   1HB   LYS   1          1HB       LYS   1 -26.257  14.024  14.326
    6   2HB   LYS   1          2HB       LYS   1 -27.516  13.012  15.033
    7   1HG   LYS   1          1HG       LYS   1 -28.965  13.475  13.071
    8   2HG   LYS   1          2HG       LYS   1 -27.669  14.434  12.357
    9   1HD   LYS   1          1HD       LYS   1 -26.192  12.405  12.467
   10   2HD   LYS   1          2HD       LYS   1 -27.587  11.474  13.013
   11   1HE   LYS   1          1HE       LYS   1 -28.772  11.914  10.937
   12   2HE   LYS   1          2HE       LYS   1 -27.504  13.037  10.405
   13   1HZ   LYS   1          1HZ       LYS   1 -26.658  10.376  11.263
   14   2HZ   LYS   1          2HZ       LYS   1 -27.474  10.461   9.779
   15   3HZ   LYS   1          3HZ       LYS   1 -26.049  11.355  10.014
   16    H    ASN   2           H        ASN   2 -25.928  16.261  15.967
   17    HA   ASN   2           HA       ASN   2 -26.349  15.298  18.737
   18   1HB   ASN   2          1HB       ASN   2 -24.183  16.890  17.328
   19   2HB   ASN   2          2HB       ASN   2 -24.097  16.399  19.019
   20   2HD2  ASN   2          2HD2      ASN   2 -23.314  15.411  15.863
   21   1HD2  ASN   2          1HD2      ASN   2 -23.069  13.760  16.176
   22    H    GLU   3           H        GLU   3 -27.476  16.548  20.173
   23    HA   GLU   3           HA       GLU   3 -28.406  19.205  19.558
   24   1HB   GLU   3          1HB       GLU   3 -29.453  17.461  21.062
   25   2HB   GLU   3          2HB       GLU   3 -28.194  17.814  22.245
   26   1HG   GLU   3          1HG       GLU   3 -28.909  20.199  22.251
   27   2HG   GLU   3          2HG       GLU   3 -30.213  19.789  21.136
   28    H    ASP   4           H        ASP   4 -25.374  18.099  20.608
   29    HA   ASP   4           HA       ASP   4 -24.719  20.482  22.226
   30   1HB   ASP   4          1HB       ASP   4 -23.961  17.938  22.391
   31   2HB   ASP   4          2HB       ASP   4 -22.726  18.469  21.249
   32    H    GLN   5           H        GLN   5 -24.202  19.238  18.970
   33    HA   GLN   5           HA       GLN   5 -23.426  20.379  17.040
   34   1HB   GLN   5          1HB       GLN   5 -24.533  22.281  18.691
   35   2HB   GLN   5          2HB       GLN   5 -22.893  22.894  18.488
   36   1HG   GLN   5          1HG       GLN   5 -23.126  22.791  16.052
   37   2HG   GLN   5          2HG       GLN   5 -24.736  22.090  16.216
   38   2HE2  GLN   5          2HE2      GLN   5 -22.851  25.065  16.849
   39   1HE2  GLN   5          1HE2      GLN   5 -24.198  26.097  16.914
   40    H    GLU   6           H        GLU   6 -21.667  22.072  19.631
   41    HA   GLU   6           HA       GLU   6 -19.104  21.773  18.334
   42   1HB   GLU   6          1HB       GLU   6 -19.828  22.391  21.219
   43   2HB   GLU   6          2HB       GLU   6 -18.299  22.776  20.428
   44   1HG   GLU   6          1HG       GLU   6 -20.994  23.812  19.501
   45   2HG   GLU   6          2HG       GLU   6 -19.894  24.719  20.539
   46    H    MET   7           H        MET   7 -19.852  19.233  18.215
   47    HA   MET   7           HA       MET   7 -19.697  17.400  20.258
   48   1HB   MET   7          1HB       MET   7 -18.431  17.430  17.509
   49   2HB   MET   7          2HB       MET   7 -18.459  15.982  18.515
   50   1HG   MET   7          1HG       MET   7 -20.912  16.086  18.626
   51   2HG   MET   7          2HG       MET   7 -20.904  17.563  17.664
   52   1HE   MET   7          1HE       MET   7 -19.481  14.240  18.064
   53   2HE   MET   7          2HE       MET   7 -20.816  13.460  17.219
   54   3HE   MET   7          3HE       MET   7 -19.217  13.544  16.467
   55    H    CYS   8           H        CYS   8 -17.056  19.380  19.035
   56    HA   CYS   8           HA       CYS   8 -15.072  17.923  20.703
   57   1HB   CYS   8          1HB       CYS   8 -14.455  18.445  18.427
   58   2HB   CYS   8          2HB       CYS   8 -14.942  20.128  18.627
   59    H    HIS   9           H        HIS   9 -14.781  18.639  22.777
   60    HA   HIS   9           HA       HIS   9 -15.216  21.557  23.337
   61   1HB   HIS   9          1HB       HIS   9 -15.686  19.110  25.074
   62   2HB   HIS   9          2HB       HIS   9 -15.968  20.778  25.573
   63    HD1  HIS   9           HD1      HIS   9 -17.635  17.961  24.015
   64    HD2  HIS   9           HD2      HIS   9 -17.975  22.109  23.762
   65    HE1  HIS   9           HE1      HIS   9 -19.892  18.433  22.967
   66    H    GLU  10           H        GLU  10 -13.120  18.788  23.649
   67    HA   GLU  10           HA       GLU  10 -11.429  19.720  25.777
   68   1HB   GLU  10          1HB       GLU  10 -11.501  17.408  24.958
   69   2HB   GLU  10          2HB       GLU  10 -10.914  17.931  23.378
   70   1HG   GLU  10          1HG       GLU  10  -8.803  18.656  24.352
   71   2HG   GLU  10          2HG       GLU  10  -9.393  18.300  25.976
   72    H    PHE  11           H        PHE  11 -11.219  20.075  22.223
   73    HA   PHE  11           HA       PHE  11  -8.792  21.721  22.407
   74   1HB   PHE  11          1HB       PHE  11 -10.677  20.808  20.241
   75   2HB   PHE  11          2HB       PHE  11  -9.378  21.942  19.898
   76    HD1  PHE  11           HD1      PHE  11 -10.181  18.494  20.957
   77    HD2  PHE  11           HD2      PHE  11  -7.051  21.260  19.959
   78    HE1  PHE  11           HE1      PHE  11  -8.571  16.617  20.802
   79    HE2  PHE  11           HE2      PHE  11  -5.441  19.382  19.804
   80    HZ   PHE  11           HZ       PHE  11  -6.202  17.064  20.227
   81    H    GLN  12           H        GLN  12 -12.229  22.242  22.453
   82    HA   GLN  12           HA       GLN  12 -12.606  24.748  21.305
   83   1HB   GLN  12          1HB       GLN  12 -14.332  23.383  22.433
   84   2HB   GLN  12          2HB       GLN  12 -13.597  23.741  23.995
   85   1HG   GLN  12          1HG       GLN  12 -13.979  26.177  23.563
   86   2HG   GLN  12          2HG       GLN  12 -14.822  25.747  22.075
   87   2HE2  GLN  12          2HE2      GLN  12 -16.670  26.919  23.341
   88   1HE2  GLN  12          1HE2      GLN  12 -17.622  25.955  24.363
   89    H    ALA  13           H        ALA  13 -11.117  24.005  24.449
   90    HA   ALA  13           HA       ALA  13 -10.786  26.691  25.370
   91   1HB   ALA  13          1HB       ALA  13  -9.004  25.591  26.775
   92   2HB   ALA  13          2HB       ALA  13  -9.215  24.131  25.808
   93   3HB   ALA  13          3HB       ALA  13 -10.546  24.734  26.796
   94    H    PHE  14           H        PHE  14  -9.155  24.864  22.897
   95    HA   PHE  14           HA       PHE  14  -6.791  26.646  22.887
   96   1HB   PHE  14          1HB       PHE  14  -7.599  24.394  21.026
   97   2HB   PHE  14          2HB       PHE  14  -5.984  25.056  21.250
   98    HD1  PHE  14           HD1      PHE  14  -6.581  25.373  24.392
   99    HD2  PHE  14           HD2      PHE  14  -6.708  22.131  21.577
  100    HE1  PHE  14           HE1      PHE  14  -6.175  23.759  26.232
  101    HE2  PHE  14           HE2      PHE  14  -6.302  20.518  23.414
  102    HZ   PHE  14           HZ       PHE  14  -6.034  21.331  25.742
  103    H    MET  15           H        MET  15  -9.759  27.354  22.024
  104    HA   MET  15           HA       MET  15  -9.222  28.151  19.213
  105   1HB   MET  15          1HB       MET  15 -11.592  28.360  19.088
  106   2HB   MET  15          2HB       MET  15 -11.311  26.938  20.083
  107   1HG   MET  15          1HG       MET  15 -11.466  28.520  22.101
  108   2HG   MET  15          2HG       MET  15 -12.118  29.710  20.976
  109   1HE   MET  15          1HE       MET  15 -13.635  29.264  19.339
  110   2HE   MET  15          2HE       MET  15 -14.387  27.702  19.025
  111   3HE   MET  15          3HE       MET  15 -15.276  28.936  19.913
  112    H    LYS  16           H        LYS  16  -8.303  30.141  18.964
  113    HA   LYS  16           HA       LYS  16  -8.724  32.247  21.018
  114   1HB   LYS  16          1HB       LYS  16  -6.470  31.510  20.015
  115   2HB   LYS  16          2HB       LYS  16  -6.990  32.316  18.536
  116   1HG   LYS  16          1HG       LYS  16  -7.503  34.104  20.689
  117   2HG   LYS  16          2HG       LYS  16  -5.867  33.485  20.909
  118   1HD   LYS  16          1HD       LYS  16  -5.453  34.014  18.460
  119   2HD   LYS  16          2HD       LYS  16  -7.004  34.857  18.459
  120   1HE   LYS  16          1HE       LYS  16  -6.148  36.644  19.592
  121   2HE   LYS  16          2HE       LYS  16  -5.236  35.607  20.705
  122   1HZ   LYS  16          1HZ       LYS  16  -3.797  35.077  18.700
  123   2HZ   LYS  16          2HZ       LYS  16  -4.525  36.409  17.938
  124   3HZ   LYS  16          3HZ       LYS  16  -3.618  36.630  19.357
  125    H    ASN  17           H        ASN  17 -10.953  32.763  20.423
  126    HA   ASN  17           HA       ASN  17 -12.577  34.010  19.253
  127   1HB   ASN  17          1HB       ASN  17 -10.063  35.126  17.971
  128   2HB   ASN  17          2HB       ASN  17 -11.643  35.907  17.993
  129   2HD2  ASN  17          2HD2      ASN  17  -8.775  36.288  19.419
  130   1HD2  ASN  17          1HD2      ASN  17  -9.241  36.721  20.992
  131    H    GLY  18           H        GLY  18 -12.311  31.479  18.249
  132   1HA   GLY  18          1HA       GLY  18 -12.884  31.911  15.390
  133   2HA   GLY  18          2HA       GLY  18 -13.178  30.424  16.290
  134    H    LYS  19           H        LYS  19 -10.064  31.673  16.865
  135    HA   LYS  19           HA       LYS  19  -8.830  30.193  14.602
  136   1HB   LYS  19          1HB       LYS  19  -8.244  32.567  15.498
  137   2HB   LYS  19          2HB       LYS  19  -7.417  31.706  16.796
  138   1HG   LYS  19          1HG       LYS  19  -6.884  31.456  13.820
  139   2HG   LYS  19          2HG       LYS  19  -5.810  32.159  15.031
  140   1HD   LYS  19          1HD       LYS  19  -5.875  29.874  16.192
  141   2HD   LYS  19          2HD       LYS  19  -6.618  29.260  14.716
  142   1HE   LYS  19          1HE       LYS  19  -4.194  30.901  14.269
  143   2HE   LYS  19          2HE       LYS  19  -3.912  29.365  15.111
  144   1HZ   LYS  19          1HZ       LYS  19  -5.590  28.489  13.337
  145   2HZ   LYS  19          2HZ       LYS  19  -5.085  29.850  12.454
  146   3HZ   LYS  19          3HZ       LYS  19  -3.955  28.674  12.928
  147    H    LEU  20           H        LEU  20  -8.599  28.015  15.008
  148    HA   LEU  20           HA       LEU  20  -8.105  27.066  17.776
  149   1HB   LEU  20          1HB       LEU  20  -9.716  26.140  15.904
  150   2HB   LEU  20          2HB       LEU  20  -8.255  25.352  15.309
  151    HG   LEU  20           HG       LEU  20  -9.429  25.087  18.093
  152   1HD1  LEU  20          1HD1      LEU  20 -10.395  23.853  15.971
  153   2HD1  LEU  20          2HD1      LEU  20  -8.961  22.842  16.155
  154   3HD1  LEU  20          3HD1      LEU  20 -10.135  22.955  17.466
  155   1HD2  LEU  20          1HD2      LEU  20  -6.848  24.143  16.851
  156   2HD2  LEU  20          2HD2      LEU  20  -7.092  24.950  18.399
  157   3HD2  LEU  20          3HD2      LEU  20  -7.582  23.268  18.194
  158    H    PHE  21           H        PHE  21  -5.971  27.034  18.408
  159    HA   PHE  21           HA       PHE  21  -3.873  26.589  16.333
  160   1HB   PHE  21          1HB       PHE  21  -2.402  27.219  18.394
  161   2HB   PHE  21          2HB       PHE  21  -3.371  28.481  17.637
  162    HD1  PHE  21           HD1      PHE  21  -3.118  26.194  20.536
  163    HD2  PHE  21           HD2      PHE  21  -5.263  29.465  18.760
  164    HE1  PHE  21           HE1      PHE  21  -4.272  26.609  22.692
  165    HE2  PHE  21           HE2      PHE  21  -6.416  29.879  20.916
  166    HZ   PHE  21           HZ       PHE  21  -5.919  28.453  22.882
  167    H    CYS  22           H        CYS  22  -4.800  24.265  16.358
  168    HA   CYS  22           HA       CYS  22  -4.600  22.419  18.431
  169   1HB   CYS  22          1HB       CYS  22  -5.010  22.428  15.699
  170   2HB   CYS  22          2HB       CYS  22  -3.537  21.472  15.863
  171    HA   PRO  23           HA       PRO  23   0.062  21.683  17.265
  172   1HB   PRO  23          1HB       PRO  23   1.052  24.172  16.215
  173   2HB   PRO  23          2HB       PRO  23   0.985  22.601  15.415
  174   1HG   PRO  23          1HG       PRO  23  -0.614  24.910  14.868
  175   2HG   PRO  23          2HG       PRO  23  -0.718  23.321  14.106
  176   1HD   PRO  23          1HD       PRO  23  -2.556  24.534  15.982
  177   2HD   PRO  23          2HD       PRO  23  -2.709  22.966  15.158
  178    H    GLN  24           H        GLN  24  -0.285  21.957  19.628
  179    HA   GLN  24           HA       GLN  24   1.033  24.441  20.677
  180   1HB   GLN  24          1HB       GLN  24  -1.278  24.578  21.230
  181   2HB   GLN  24          2HB       GLN  24  -1.368  22.858  21.605
  182   1HG   GLN  24          1HG       GLN  24   0.257  23.290  23.502
  183   2HG   GLN  24          2HG       GLN  24   0.051  25.014  23.192
  184   2HE2  GLN  24          2HE2      GLN  24  -1.781  22.056  24.067
  185   1HE2  GLN  24          1HE2      GLN  24  -3.045  22.879  24.845
  186    H    ASP  25           H        ASP  25  -0.041  21.457  22.270
  187    HA   ASP  25           HA       ASP  25   2.818  20.738  22.791
  188   1HB   ASP  25          1HB       ASP  25   1.546  22.075  24.624
  189   2HB   ASP  25          2HB       ASP  25   0.650  20.578  24.886
  190    H    LYS  26           H        LYS  26   2.182  19.137  21.024
  191    HA   LYS  26           HA       LYS  26   0.158  17.139  21.484
  192   1HB   LYS  26          1HB       LYS  26   2.526  17.552  19.691
  193   2HB   LYS  26          2HB       LYS  26   1.759  15.965  19.725
  194   1HG   LYS  26          1HG       LYS  26  -0.366  16.891  19.077
  195   2HG   LYS  26          2HG       LYS  26   0.216  18.539  19.308
  196   1HD   LYS  26          1HD       LYS  26   0.531  18.407  17.035
  197   2HD   LYS  26          2HD       LYS  26   2.057  17.678  17.535
  198   1HE   LYS  26          1HE       LYS  26   1.121  15.435  17.285
  199   2HE   LYS  26          2HE       LYS  26  -0.478  16.113  16.920
  200   1HZ   LYS  26          1HZ       LYS  26   1.988  16.767  15.391
  201   2HZ   LYS  26          2HZ       LYS  26   0.891  15.564  14.915
  202   3HZ   LYS  26          3HZ       LYS  26   0.390  17.185  14.993
  203    H    LYS  27           H        LYS  27   3.029  17.658  23.147
  204    HA   LYS  27           HA       LYS  27   4.391  15.293  23.493
  205   1HB   LYS  27          1HB       LYS  27   3.386  17.408  25.384
  206   2HB   LYS  27          2HB       LYS  27   4.324  16.052  26.006
  207   1HG   LYS  27          1HG       LYS  27   6.108  16.586  24.329
  208   2HG   LYS  27          2HG       LYS  27   5.187  18.016  23.863
  209   1HD   LYS  27          1HD       LYS  27   5.298  18.814  26.224
  210   2HD   LYS  27          2HD       LYS  27   6.308  17.423  26.619
  211   1HE   LYS  27          1HE       LYS  27   8.126  18.226  25.367
  212   2HE   LYS  27          2HE       LYS  27   7.096  19.259  24.358
  213   1HZ   LYS  27          1HZ       LYS  27   6.504  20.232  26.735
  214   2HZ   LYS  27          2HZ       LYS  27   8.078  19.696  27.080
  215   3HZ   LYS  27          3HZ       LYS  27   7.821  20.817  25.835
  216    H    PHE  28           H        PHE  28   1.072  15.952  24.438
  217    HA   PHE  28           HA       PHE  28   0.492  13.963  26.311
  218   1HB   PHE  28          1HB       PHE  28  -1.158  14.731  23.884
  219   2HB   PHE  28          2HB       PHE  28  -1.766  14.145  25.428
  220    HD1  PHE  28           HD1      PHE  28  -0.402  15.564  27.468
  221    HD2  PHE  28           HD2      PHE  28  -1.637  16.999  23.611
  222    HE1  PHE  28           HE1      PHE  28  -0.452  17.883  28.345
  223    HE2  PHE  28           HE2      PHE  28  -1.688  19.317  24.490
  224    HZ   PHE  28           HZ       PHE  28  -1.095  19.760  26.857
  225    H    PHE  29           H        PHE  29   1.400  13.557  22.971
  226    HA   PHE  29           HA       PHE  29   0.287  11.069  22.281
  227   1HB   PHE  29          1HB       PHE  29   1.624  12.546  20.822
  228   2HB   PHE  29          2HB       PHE  29   3.066  12.181  21.767
  229    HD1  PHE  29           HD1      PHE  29   3.683   9.645  22.005
  230    HD2  PHE  29           HD2      PHE  29   1.088  11.222  18.966
  231    HE1  PHE  29           HE1      PHE  29   4.077   7.626  20.620
  232    HE2  PHE  29           HE2      PHE  29   1.483   9.204  17.582
  233    HZ   PHE  29           HZ       PHE  29   2.977   7.405  18.408
  234    H    GLN  30           H        GLN  30   2.623  11.778  24.742
  235    HA   GLN  30           HA       GLN  30   3.974   9.238  24.853
  236   1HB   GLN  30          1HB       GLN  30   3.446  11.459  26.844
  237   2HB   GLN  30          2HB       GLN  30   4.521  10.101  27.178
  238   1HG   GLN  30          1HG       GLN  30   5.567  10.798  24.836
  239   2HG   GLN  30          2HG       GLN  30   4.860  12.362  25.243
  240   2HE2  GLN  30          2HE2      GLN  30   6.343  13.668  26.308
  241   1HE2  GLN  30          1HE2      GLN  30   7.528  13.123  27.393
  242    H    SER  31           H        SER  31   0.737   9.967  25.469
  243    HA   SER  31           HA       SER  31   0.446   7.452  27.051
  244   1HB   SER  31          1HB       SER  31  -0.767  10.142  27.763
  245   2HB   SER  31          2HB       SER  31  -0.986   8.639  28.659
  246    HG   SER  31           HG       SER  31   1.107  10.392  28.656
  247    H    LEU  32           H        LEU  32  -1.807   6.638  27.000
  248    HA   LEU  32           HA       LEU  32  -3.034   6.767  24.431
  249   1HB   LEU  32          1HB       LEU  32  -3.183   5.151  26.567
  250   2HB   LEU  32          2HB       LEU  32  -4.633   6.111  26.861
  251    HG   LEU  32           HG       LEU  32  -4.067   4.865  24.167
  252   1HD1  LEU  32          1HD1      LEU  32  -5.383   3.678  26.613
  253   2HD1  LEU  32          2HD1      LEU  32  -5.795   3.132  24.987
  254   3HD1  LEU  32          3HD1      LEU  32  -4.143   2.963  25.581
  255   1HD2  LEU  32          1HD2      LEU  32  -6.547   5.908  25.567
  256   2HD2  LEU  32          2HD2      LEU  32  -5.738   6.628  24.175
  257   3HD2  LEU  32          3HD2      LEU  32  -6.565   5.079  24.010
  258    H    ASP  33           H        ASP  33  -4.303   8.048  27.519
  259    HA   ASP  33           HA       ASP  33  -6.453   9.543  26.501
  260   1HB   ASP  33          1HB       ASP  33  -5.739   9.093  28.915
  261   2HB   ASP  33          2HB       ASP  33  -4.576  10.406  28.726
  262    H    GLY  34           H        GLY  34  -3.012  10.344  26.705
  263   1HA   GLY  34          1HA       GLY  34  -1.812  12.165  25.816
  264   2HA   GLY  34          2HA       GLY  34  -3.338  13.043  25.693
  265    H    ILE  35           H        ILE  35  -2.571   9.880  24.310
  266    HA   ILE  35           HA       ILE  35  -1.995  10.700  21.647
  267    HB   ILE  35           HB       ILE  35  -2.966   8.246  23.065
  268   1HG1  ILE  35          1HG1      ILE  35  -0.541   8.989  22.839
  269   2HG1  ILE  35          2HG1      ILE  35  -0.881   7.347  22.292
  270   1HG2  ILE  35          1HG2      ILE  35  -3.128   8.723  20.094
  271   2HG2  ILE  35          2HG2      ILE  35  -2.789   7.109  20.719
  272   3HG2  ILE  35          3HG2      ILE  35  -4.292   7.923  21.150
  273   1HD1  ILE  35          1HD1      ILE  35  -1.162   9.517  20.271
  274   2HD1  ILE  35          2HD1      ILE  35   0.479   9.115  20.782
  275   3HD1  ILE  35          3HD1      ILE  35  -0.555   7.872  20.078
  276    H    MET  36           H        MET  36  -5.068  10.090  23.311
  277    HA   MET  36           HA       MET  36  -6.851  10.080  21.128
  278   1HB   MET  36          1HB       MET  36  -6.992  11.116  23.962
  279   2HB   MET  36          2HB       MET  36  -8.397  11.145  22.898
  280   1HG   MET  36          1HG       MET  36  -6.780   8.679  23.614
  281   2HG   MET  36          2HG       MET  36  -8.367   9.087  24.266
  282   1HE   MET  36          1HE       MET  36  -6.656   6.879  22.153
  283   2HE   MET  36          2HE       MET  36  -7.318   6.911  20.512
  284   3HE   MET  36          3HE       MET  36  -6.290   8.225  21.077
  285    H    PHE  37           H        PHE  37  -5.896  12.954  23.071
  286    HA   PHE  37           HA       PHE  37  -7.201  14.955  21.679
  287   1HB   PHE  37          1HB       PHE  37  -5.998  16.055  23.240
  288   2HB   PHE  37          2HB       PHE  37  -4.954  14.652  23.450
  289    HD1  PHE  37           HD1      PHE  37  -2.873  14.427  22.100
  290    HD2  PHE  37           HD2      PHE  37  -5.303  17.957  21.944
  291    HE1  PHE  37           HE1      PHE  37  -1.010  15.657  21.040
  292    HE2  PHE  37           HE2      PHE  37  -3.438  19.191  20.876
  293    HZ   PHE  37           HZ       PHE  37  -1.294  18.032  20.424
  294    H    ILE  38           H        ILE  38  -3.950  13.678  20.778
  295    HA   ILE  38           HA       ILE  38  -3.541  15.164  18.436
  296    HB   ILE  38           HB       ILE  38  -2.896  12.300  19.185
  297   1HG1  ILE  38          1HG1      ILE  38  -1.418  14.939  19.281
  298   2HG1  ILE  38          2HG1      ILE  38  -1.801  13.863  20.625
  299   1HG2  ILE  38          1HG2      ILE  38  -2.928  12.762  16.669
  300   2HG2  ILE  38          2HG2      ILE  38  -1.611  13.899  16.960
  301   3HG2  ILE  38          3HG2      ILE  38  -1.396  12.187  17.327
  302   1HD1  ILE  38          1HD1      ILE  38  -0.001  13.071  18.319
  303   2HD1  ILE  38          2HD1      ILE  38   0.598  13.743  19.835
  304   3HD1  ILE  38          3HD1      ILE  38  -0.251  12.197  19.830
  305    H    ASN  39           H        ASN  39  -5.529  12.269  18.926
  306    HA   ASN  39           HA       ASN  39  -6.171  11.856  16.136
  307   1HB   ASN  39          1HB       ASN  39  -7.760  11.105  18.607
  308   2HB   ASN  39          2HB       ASN  39  -7.757  10.276  17.050
  309   2HD2  ASN  39          2HD2      ASN  39  -4.708  10.768  16.908
  310   1HD2  ASN  39          1HD2      ASN  39  -4.056   9.571  17.919
  311    H    LYS  40           H        LYS  40  -7.558  13.804  18.727
  312    HA   LYS  40           HA       LYS  40  -9.863  14.592  17.022
  313   1HB   LYS  40          1HB       LYS  40  -9.020  15.008  19.896
  314   2HB   LYS  40          2HB       LYS  40 -10.407  15.849  19.206
  315   1HG   LYS  40          1HG       LYS  40 -11.536  13.785  18.741
  316   2HG   LYS  40          2HG       LYS  40 -10.087  12.841  19.087
  317   1HD   LYS  40          1HD       LYS  40 -10.253  14.011  21.446
  318   2HD   LYS  40          2HD       LYS  40 -11.942  14.231  20.993
  319   1HE   LYS  40          1HE       LYS  40 -11.976  11.722  20.450
  320   2HE   LYS  40          2HE       LYS  40 -10.421  11.629  21.299
  321   1HZ   LYS  40          1HZ       LYS  40 -11.635  13.006  23.085
  322   2HZ   LYS  40          2HZ       LYS  40 -13.060  12.452  22.343
  323   3HZ   LYS  40          3HZ       LYS  40 -11.961  11.340  22.999
  324    H    CYS  41           H        CYS  41  -6.712  15.661  17.875
  325    HA   CYS  41           HA       CYS  41  -6.899  18.472  17.875
  326   1HB   CYS  41          1HB       CYS  41  -4.854  17.282  18.362
  327   2HB   CYS  41          2HB       CYS  41  -4.845  16.538  16.765
  328    H    ALA  42           H        ALA  42  -5.775  16.665  15.018
  329    HA   ALA  42           HA       ALA  42  -6.371  18.741  13.149
  330   1HB   ALA  42          1HB       ALA  42  -6.032  15.738  12.898
  331   2HB   ALA  42          2HB       ALA  42  -6.096  16.826  11.512
  332   3HB   ALA  42          3HB       ALA  42  -4.788  16.969  12.686
  333    H    THR  43           H        THR  43  -8.294  16.017  14.342
  334    HA   THR  43           HA       THR  43 -10.430  16.211  12.420
  335    HB   THR  43           HB       THR  43 -10.459  15.244  15.298
  336    HG1  THR  43           HG1      THR  43  -9.808  13.874  12.902
  337   1HG2  THR  43          1HG2      THR  43 -12.581  15.511  13.660
  338   2HG2  THR  43          2HG2      THR  43 -12.006  13.932  13.127
  339   3HG2  THR  43          3HG2      THR  43 -12.435  14.190  14.818
  340    H    CYS  44           H        CYS  44 -10.330  17.270  15.849
  341    HA   CYS  44           HA       CYS  44 -12.740  18.712  15.912
  342   1HB   CYS  44          1HB       CYS  44 -11.326  18.197  17.854
  343   2HB   CYS  44          2HB       CYS  44 -10.072  19.278  17.245
  344    H    LYS  45           H        LYS  45  -9.652  19.585  14.473
  345    HA   LYS  45           HA       LYS  45 -10.076  22.409  14.210
  346   1HB   LYS  45          1HB       LYS  45  -7.908  21.329  13.925
  347   2HB   LYS  45          2HB       LYS  45  -8.522  20.383  12.569
  348   1HG   LYS  45          1HG       LYS  45  -9.132  22.817  11.643
  349   2HG   LYS  45          2HG       LYS  45  -7.788  23.275  12.688
  350   1HD   LYS  45          1HD       LYS  45  -6.420  21.466  11.574
  351   2HD   LYS  45          2HD       LYS  45  -7.746  21.257  10.428
  352   1HE   LYS  45          1HE       LYS  45  -7.524  23.577   9.683
  353   2HE   LYS  45          2HE       LYS  45  -6.281  23.879  10.911
  354   1HZ   LYS  45          1HZ       LYS  45  -6.046  21.661   8.962
  355   2HZ   LYS  45          2HZ       LYS  45  -5.486  23.221   8.591
  356   3HZ   LYS  45          3HZ       LYS  45  -4.824  22.367   9.902
  357    H    MET  46           H        MET  46 -10.685  19.717  11.914
  358    HA   MET  46           HA       MET  46 -11.834  21.341   9.853
  359   1HB   MET  46          1HB       MET  46 -12.587  19.184   8.984
  360   2HB   MET  46          2HB       MET  46 -10.968  19.004   9.651
  361   1HG   MET  46          1HG       MET  46 -11.679  17.536  11.212
  362   2HG   MET  46          2HG       MET  46 -13.033  18.567  11.665
  363   1HE   MET  46          1HE       MET  46 -11.552  15.999   9.387
  364   2HE   MET  46          2HE       MET  46 -12.855  15.427   8.338
  365   3HE   MET  46          3HE       MET  46 -12.146  17.019   8.079
  366    H    ILE  47           H        ILE  47 -13.108  20.107  12.852
  367    HA   ILE  47           HA       ILE  47 -15.896  20.083  12.331
  368    HB   ILE  47           HB       ILE  47 -14.361  20.940  14.811
  369   1HG1  ILE  47          1HG1      ILE  47 -13.709  18.710  13.931
  370   2HG1  ILE  47          2HG1      ILE  47 -14.554  18.585  15.473
  371   1HG2  ILE  47          1HG2      ILE  47 -16.765  21.522  14.883
  372   2HG2  ILE  47          2HG2      ILE  47 -17.177  19.853  14.489
  373   3HG2  ILE  47          3HG2      ILE  47 -16.387  20.230  16.021
  374   1HD1  ILE  47          1HD1      ILE  47 -16.458  18.566  13.299
  375   2HD1  ILE  47          2HD1      ILE  47 -15.240  17.315  13.047
  376   3HD1  ILE  47          3HD1      ILE  47 -16.182  17.343  14.539
  377    H    LEU  48           H        LEU  48 -13.726  22.764  13.202
  378    HA   LEU  48           HA       LEU  48 -15.825  24.763  13.361
  379   1HB   LEU  48          1HB       LEU  48 -12.809  24.766  13.120
  380   2HB   LEU  48          2HB       LEU  48 -13.734  26.265  13.204
  381    HG   LEU  48           HG       LEU  48 -13.001  25.639  15.449
  382   1HD1  LEU  48          1HD1      LEU  48 -15.512  26.369  14.779
  383   2HD1  LEU  48          2HD1      LEU  48 -15.861  24.830  15.564
  384   3HD1  LEU  48          3HD1      LEU  48 -15.015  26.100  16.449
  385   1HD2  LEU  48          1HD2      LEU  48 -12.881  23.152  14.835
  386   2HD2  LEU  48          2HD2      LEU  48 -13.497  23.529  16.444
  387   3HD2  LEU  48          3HD2      LEU  48 -14.616  23.100  15.149
  388    H    GLU  49           H        GLU  49 -13.520  23.726  10.849
  389    HA   GLU  49           HA       GLU  49 -14.157  25.747   8.916
  390   1HB   GLU  49          1HB       GLU  49 -13.158  22.889   8.678
  391   2HB   GLU  49          2HB       GLU  49 -13.120  24.064   7.363
  392   1HG   GLU  49          1HG       GLU  49 -11.766  25.577   8.851
  393   2HG   GLU  49          2HG       GLU  49 -11.688  24.266  10.028
  394    H    LYS  50           H        LYS  50 -15.807  22.847   9.930
  395    HA   LYS  50           HA       LYS  50 -17.439  22.516   7.542
  396   1HB   LYS  50          1HB       LYS  50 -17.532  21.530  10.404
  397   2HB   LYS  50          2HB       LYS  50 -18.726  21.042   9.200
  398   1HG   LYS  50          1HG       LYS  50 -15.756  20.762   8.711
  399   2HG   LYS  50          2HG       LYS  50 -16.696  19.494   9.497
  400   1HD   LYS  50          1HD       LYS  50 -18.259  19.541   7.514
  401   2HD   LYS  50          2HD       LYS  50 -17.123  20.634   6.722
  402   1HE   LYS  50          1HE       LYS  50 -15.327  18.874   7.077
  403   2HE   LYS  50          2HE       LYS  50 -16.615  17.773   7.604
  404   1HZ   LYS  50          1HZ       LYS  50 -17.797  18.422   5.496
  405   2HZ   LYS  50          2HZ       LYS  50 -16.355  19.156   4.987
  406   3HZ   LYS  50          3HZ       LYS  50 -16.399  17.482   5.274
  407    H    GLU  51           H        GLU  51 -17.907  24.038  10.735
  408    HA   GLU  51           HA       GLU  51 -20.653  24.724  10.478
  409   1HB   GLU  51          1HB       GLU  51 -18.357  26.162  11.852
  410   2HB   GLU  51          2HB       GLU  51 -20.067  26.403  12.212
  411   1HG   GLU  51          1HG       GLU  51 -20.293  24.090  12.928
  412   2HG   GLU  51          2HG       GLU  51 -18.639  23.735  12.427
  413    H    ALA  52           H        ALA  52 -17.779  26.155   9.063
  414    HA   ALA  52           HA       ALA  52 -19.072  28.665   8.297
  415   1HB   ALA  52          1HB       ALA  52 -16.488  27.625   8.539
  416   2HB   ALA  52          2HB       ALA  52 -16.696  27.862   6.804
  417   3HB   ALA  52          3HB       ALA  52 -16.909  29.218   7.911
  418    H    LYS  53           H        LYS  53 -20.292  28.970   6.466
  419    HA   LYS  53           HA       LYS  53 -21.331  28.511   4.393
  420   1HB   LYS  53          1HB       LYS  53 -18.704  27.035   4.024
  421   2HB   LYS  53          2HB       LYS  53 -19.783  27.545   2.726
  422   1HG   LYS  53          1HG       LYS  53 -19.509  29.910   3.485
  423   2HG   LYS  53          2HG       LYS  53 -18.340  29.358   4.684
  424   1HD   LYS  53          1HD       LYS  53 -16.921  28.445   2.883
  425   2HD   LYS  53          2HD       LYS  53 -18.091  28.991   1.682
  426   1HE   LYS  53          1HE       LYS  53 -17.704  31.319   2.283
  427   2HE   LYS  53          2HE       LYS  53 -16.663  30.834   3.635
  428   1HZ   LYS  53          1HZ       LYS  53 -15.413  29.513   1.832
  429   2HZ   LYS  53          2HZ       LYS  53 -16.190  30.548   0.731
  430   3HZ   LYS  53          3HZ       LYS  53 -15.156  31.188   1.916
  431    H    SER  54           H        SER  54 -21.985  26.749   6.579
  432    HA   SER  54           HA       SER  54 -21.810  23.970   5.908
  433   1HB   SER  54          1HB       SER  54 -22.412  25.049   8.112
  434   2HB   SER  54          2HB       SER  54 -23.991  25.433   7.427
  435    HG   SER  54           HG       SER  54 -24.453  23.301   7.259
  436    H    GLN  55           H        GLN  55 -23.710  26.532   4.578
  437    HA   GLN  55           HA       GLN  55 -25.776  24.705   3.488
  438   1HB   GLN  55          1HB       GLN  55 -25.259  27.687   3.476
  439   2HB   GLN  55          2HB       GLN  55 -26.571  26.962   2.547
  440   1HG   GLN  55          1HG       GLN  55 -27.508  25.985   4.596
  441   2HG   GLN  55          2HG       GLN  55 -26.173  26.648   5.538
  442   2HE2  GLN  55          2HE2      GLN  55 -27.698  27.983   6.799
  443   1HE2  GLN  55          1HE2      GLN  55 -28.407  29.366   6.117

  No H/Q in entry =         443
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1 -20.922  10.450  20.740
    2    H2   LYS   1           H2       LYS   1 -22.579  10.482  20.366
    3    H3   LYS   1           H3       LYS   1 -21.975   9.333  21.461
    4    HA   LYS   1           HA       LYS   1 -21.086   8.008  19.830
    5   1HB   LYS   1          1HB       LYS   1 -23.427   9.556  18.681
    6   2HB   LYS   1          2HB       LYS   1 -22.828   8.046  17.995
    7   1HG   LYS   1          1HG       LYS   1 -23.193   6.954  20.220
    8   2HG   LYS   1          2HG       LYS   1 -23.922   8.453  20.794
    9   1HD   LYS   1          1HD       LYS   1 -25.636   8.309  19.036
   10   2HD   LYS   1          2HD       LYS   1 -24.894   6.831  18.421
   11   1HE   LYS   1          1HE       LYS   1 -25.371   5.671  20.527
   12   2HE   LYS   1          2HE       LYS   1 -26.028   7.166  21.223
   13   1HZ   LYS   1          1HZ       LYS   1 -27.402   7.126  18.997
   14   2HZ   LYS   1          2HZ       LYS   1 -27.124   5.454  19.105
   15   3HZ   LYS   1          3HZ       LYS   1 -27.931   6.260  20.360
   16    H    ASN   2           H        ASN   2 -22.160  10.651  17.702
   17    HA   ASN   2           HA       ASN   2 -19.598  10.459  16.220
   18   1HB   ASN   2          1HB       ASN   2 -22.150  12.023  15.715
   19   2HB   ASN   2          2HB       ASN   2 -20.847  11.769  14.556
   20   2HD2  ASN   2          2HD2      ASN   2 -20.286   9.023  15.013
   21   1HD2  ASN   2          1HD2      ASN   2 -21.644   8.103  14.576
   22    H    GLU   3           H        GLU   3 -18.021  12.018  16.390
   23    HA   GLU   3           HA       GLU   3 -18.051  14.031  18.405
   24   1HB   GLU   3          1HB       GLU   3 -16.449  13.762  15.839
   25   2HB   GLU   3          2HB       GLU   3 -16.010  14.798  17.196
   26   1HG   GLU   3          1HG       GLU   3 -15.829  12.858  18.669
   27   2HG   GLU   3          2HG       GLU   3 -16.387  11.794  17.378
   28    H    ASP   4           H        ASP   4 -19.189  14.053  15.088
   29    HA   ASP   4           HA       ASP   4 -19.248  16.888  14.648
   30   1HB   ASP   4          1HB       ASP   4 -20.781  14.503  13.597
   31   2HB   ASP   4          2HB       ASP   4 -21.056  16.131  12.977
   32    H    GLN   5           H        GLN   5 -21.166  14.820  16.641
   33    HA   GLN   5           HA       GLN   5 -23.513  16.598  16.704
   34   1HB   GLN   5          1HB       GLN   5 -22.631  14.063  18.095
   35   2HB   GLN   5          2HB       GLN   5 -24.118  14.895  18.549
   36   1HG   GLN   5          1HG       GLN   5 -23.418  13.780  15.817
   37   2HG   GLN   5          2HG       GLN   5 -24.672  13.193  16.910
   38   2HE2  GLN   5          2HE2      GLN   5 -25.209  14.143  14.207
   39   1HE2  GLN   5          1HE2      GLN   5 -26.174  15.533  14.341
   40    H    GLU   6           H        GLU   6 -20.905  15.606  18.908
   41    HA   GLU   6           HA       GLU   6 -21.662  17.692  20.868
   42   1HB   GLU   6          1HB       GLU   6 -19.573  15.501  20.713
   43   2HB   GLU   6          2HB       GLU   6 -19.676  16.622  22.071
   44   1HG   GLU   6          1HG       GLU   6 -20.975  14.788  22.786
   45   2HG   GLU   6          2HG       GLU   6 -22.179  15.920  22.169
   46    H    MET   7           H        MET   7 -19.720  17.398  18.097
   47    HA   MET   7           HA       MET   7 -18.119  18.823  17.130
   48   1HB   MET   7          1HB       MET   7 -19.136  20.662  19.322
   49   2HB   MET   7          2HB       MET   7 -18.323  21.163  17.840
   50   1HG   MET   7          1HG       MET   7 -20.208  19.936  16.592
   51   2HG   MET   7          2HG       MET   7 -21.057  19.910  18.137
   52   1HE   MET   7          1HE       MET   7 -21.438  21.537  19.525
   53   2HE   MET   7          2HE       MET   7 -21.251  23.280  19.349
   54   3HE   MET   7          3HE       MET   7 -22.712  22.479  18.755
   55    H    CYS   8           H        CYS   8 -16.750  20.919  18.854
   56    HA   CYS   8           HA       CYS   8 -14.735  19.078  20.056
   57   1HB   CYS   8          1HB       CYS   8 -14.756  21.944  19.086
   58   2HB   CYS   8          2HB       CYS   8 -13.390  21.269  19.974
   59    H    HIS   9           H        HIS   9 -14.966  18.788  22.242
   60    HA   HIS   9           HA       HIS   9 -16.093  21.033  23.871
   61   1HB   HIS   9          1HB       HIS   9 -16.638  19.240  25.463
   62   2HB   HIS   9          2HB       HIS   9 -17.242  18.820  23.861
   63    HD1  HIS   9           HD1      HIS   9 -14.199  18.157  26.060
   64    HD2  HIS   9           HD2      HIS   9 -16.294  16.395  22.915
   65    HE1  HIS   9           HE1      HIS   9 -13.149  15.883  25.685
   66    H    GLU  10           H        GLU  10 -13.272  19.026  23.366
   67    HA   GLU  10           HA       GLU  10 -11.990  20.000  25.866
   68   1HB   GLU  10          1HB       GLU  10 -11.953  17.594  25.035
   69   2HB   GLU  10          2HB       GLU  10 -10.926  18.149  23.714
   70   1HG   GLU  10          1HG       GLU  10  -9.343  19.085  25.434
   71   2HG   GLU  10          2HG       GLU  10 -10.329  18.322  26.682
   72    H    PHE  11           H        PHE  11 -11.517  20.079  22.324
   73    HA   PHE  11           HA       PHE  11  -9.173  21.817  22.494
   74   1HB   PHE  11          1HB       PHE  11 -11.012  20.824  20.316
   75   2HB   PHE  11          2HB       PHE  11  -9.679  21.921  19.973
   76    HD1  PHE  11           HD1      PHE  11 -10.460  18.620  21.562
   77    HD2  PHE  11           HD2      PHE  11  -7.491  21.102  19.694
   78    HE1  PHE  11           HE1      PHE  11  -8.885  16.707  21.521
   79    HE2  PHE  11           HE2      PHE  11  -5.916  19.186  19.654
   80    HZ   PHE  11           HZ       PHE  11  -6.615  16.990  20.568
   81    H    GLN  12           H        GLN  12 -12.616  22.282  22.475
   82    HA   GLN  12           HA       GLN  12 -13.014  24.732  21.216
   83   1HB   GLN  12          1HB       GLN  12 -14.595  23.183  22.563
   84   2HB   GLN  12          2HB       GLN  12 -14.091  24.120  23.971
   85   1HG   GLN  12          1HG       GLN  12 -14.664  26.176  22.403
   86   2HG   GLN  12          2HG       GLN  12 -15.676  24.991  21.579
   87   2HE2  GLN  12          2HE2      GLN  12 -17.466  26.496  22.484
   88   1HE2  GLN  12          1HE2      GLN  12 -18.025  26.177  24.055
   89    H    ALA  13           H        ALA  13 -11.597  24.149  24.427
   90    HA   ALA  13           HA       ALA  13 -11.340  26.893  25.215
   91   1HB   ALA  13          1HB       ALA  13  -9.230  25.059  26.106
   92   2HB   ALA  13          2HB       ALA  13 -10.472  25.876  27.055
   93   3HB   ALA  13          3HB       ALA  13 -10.842  24.356  26.239
   94    H    PHE  14           H        PHE  14  -9.673  24.995  22.862
   95    HA   PHE  14           HA       PHE  14  -7.218  26.618  22.889
   96   1HB   PHE  14          1HB       PHE  14  -8.301  24.470  21.038
   97   2HB   PHE  14          2HB       PHE  14  -6.658  25.105  20.997
   98    HD1  PHE  14           HD1      PHE  14  -6.995  25.391  24.272
   99    HD2  PHE  14           HD2      PHE  14  -7.114  22.222  21.373
  100    HE1  PHE  14           HE1      PHE  14  -6.329  23.767  26.022
  101    HE2  PHE  14           HE2      PHE  14  -6.448  20.597  23.124
  102    HZ   PHE  14           HZ       PHE  14  -6.055  21.369  25.448
  103    H    MET  15           H        MET  15 -10.166  27.532  22.073
  104    HA   MET  15           HA       MET  15  -9.690  28.470  19.318
  105   1HB   MET  15          1HB       MET  15 -11.940  28.830  21.322
  106   2HB   MET  15          2HB       MET  15 -12.007  29.333  19.634
  107   1HG   MET  15          1HG       MET  15 -11.664  27.024  18.905
  108   2HG   MET  15          2HG       MET  15 -11.505  26.501  20.578
  109   1HE   MET  15          1HE       MET  15 -13.596  27.289  17.658
  110   2HE   MET  15          2HE       MET  15 -15.229  27.634  18.222
  111   3HE   MET  15          3HE       MET  15 -13.953  28.827  18.455
  112    H    LYS  16           H        LYS  16  -8.167  30.115  19.328
  113    HA   LYS  16           HA       LYS  16  -8.408  32.306  21.333
  114   1HB   LYS  16          1HB       LYS  16  -6.218  31.289  20.978
  115   2HB   LYS  16          2HB       LYS  16  -6.335  31.572  19.241
  116   1HG   LYS  16          1HG       LYS  16  -6.419  34.015  19.659
  117   2HG   LYS  16          2HG       LYS  16  -6.258  33.713  21.390
  118   1HD   LYS  16          1HD       LYS  16  -4.242  32.925  19.262
  119   2HD   LYS  16          2HD       LYS  16  -4.070  34.265  20.395
  120   1HE   LYS  16          1HE       LYS  16  -4.144  32.670  22.292
  121   2HE   LYS  16          2HE       LYS  16  -4.300  31.326  21.145
  122   1HZ   LYS  16          1HZ       LYS  16  -2.243  32.137  20.066
  123   2HZ   LYS  16          2HZ       LYS  16  -2.068  33.289  21.302
  124   3HZ   LYS  16          3HZ       LYS  16  -1.983  31.636  21.667
  125    H    ASN  17           H        ASN  17 -10.029  33.705  20.614
  126    HA   ASN  17           HA       ASN  17 -11.068  35.320  19.232
  127   1HB   ASN  17          1HB       ASN  17  -8.603  36.003  19.297
  128   2HB   ASN  17          2HB       ASN  17  -8.441  35.212  17.730
  129   2HD2  ASN  17          2HD2      ASN  17  -8.771  38.221  18.944
  130   1HD2  ASN  17          1HD2      ASN  17  -9.718  38.945  17.735
  131    H    GLY  18           H        GLY  18 -11.946  32.850  18.579
  132   1HA   GLY  18          1HA       GLY  18 -12.618  33.053  15.798
  133   2HA   GLY  18          2HA       GLY  18 -12.945  31.655  16.823
  134    H    LYS  19           H        LYS  19  -9.986  31.538  17.498
  135    HA   LYS  19           HA       LYS  19  -9.103  30.232  14.945
  136   1HB   LYS  19          1HB       LYS  19  -8.065  32.491  15.564
  137   2HB   LYS  19          2HB       LYS  19  -7.334  31.666  16.940
  138   1HG   LYS  19          1HG       LYS  19  -7.028  30.457  14.215
  139   2HG   LYS  19          2HG       LYS  19  -6.035  31.853  14.635
  140   1HD   LYS  19          1HD       LYS  19  -5.206  30.684  16.631
  141   2HD   LYS  19          2HD       LYS  19  -6.233  29.298  16.261
  142   1HE   LYS  19          1HE       LYS  19  -4.034  28.763  15.418
  143   2HE   LYS  19          2HE       LYS  19  -5.013  29.185  14.001
  144   1HZ   LYS  19          1HZ       LYS  19  -3.531  31.250  15.516
  145   2HZ   LYS  19          2HZ       LYS  19  -2.761  30.358  14.296
  146   3HZ   LYS  19          3HZ       LYS  19  -4.111  31.318  13.920
  147    H    LEU  20           H        LEU  20  -9.223  28.061  15.461
  148    HA   LEU  20           HA       LEU  20  -8.663  27.092  18.180
  149   1HB   LEU  20          1HB       LEU  20 -10.380  26.274  16.396
  150   2HB   LEU  20          2HB       LEU  20  -9.003  25.441  15.676
  151    HG   LEU  20           HG       LEU  20 -10.074  25.092  18.490
  152   1HD1  LEU  20          1HD1      LEU  20 -10.812  23.889  16.101
  153   2HD1  LEU  20          2HD1      LEU  20  -9.655  22.748  16.785
  154   3HD1  LEU  20          3HD1      LEU  20 -11.081  23.220  17.710
  155   1HD2  LEU  20          1HD2      LEU  20  -7.544  24.104  17.163
  156   2HD2  LEU  20          2HD2      LEU  20  -7.704  24.961  18.696
  157   3HD2  LEU  20          3HD2      LEU  20  -8.249  23.290  18.560
  158    H    PHE  21           H        PHE  21  -6.463  27.177  18.702
  159    HA   PHE  21           HA       PHE  21  -4.472  26.419  16.642
  160   1HB   PHE  21          1HB       PHE  21  -2.872  27.074  18.517
  161   2HB   PHE  21          2HB       PHE  21  -3.931  28.358  17.941
  162    HD1  PHE  21           HD1      PHE  21  -3.225  26.032  20.720
  163    HD2  PHE  21           HD2      PHE  21  -5.736  29.229  19.325
  164    HE1  PHE  21           HE1      PHE  21  -4.071  26.373  23.023
  165    HE2  PHE  21           HE2      PHE  21  -6.582  29.567  21.630
  166    HZ   PHE  21           HZ       PHE  21  -5.749  28.140  23.480
  167    H    CYS  22           H        CYS  22  -5.489  24.171  16.694
  168    HA   CYS  22           HA       CYS  22  -5.439  22.365  18.817
  169   1HB   CYS  22          1HB       CYS  22  -5.926  22.300  16.143
  170   2HB   CYS  22          2HB       CYS  22  -4.421  21.385  16.213
  171    HA   PRO  23           HA       PRO  23  -0.817  21.330  17.729
  172   1HB   PRO  23          1HB       PRO  23   0.347  23.751  16.694
  173   2HB   PRO  23          2HB       PRO  23   0.202  22.182  15.899
  174   1HG   PRO  23          1HG       PRO  23  -1.237  24.581  15.304
  175   2HG   PRO  23          2HG       PRO  23  -1.428  22.996  14.552
  176   1HD   PRO  23          1HD       PRO  23  -3.217  24.342  16.387
  177   2HD   PRO  23          2HD       PRO  23  -3.459  22.787  15.562
  178    H    GLN  24           H        GLN  24  -1.465  21.803  20.101
  179    HA   GLN  24           HA       GLN  24  -0.169  24.259  21.188
  180   1HB   GLN  24          1HB       GLN  24  -2.367  23.986  22.003
  181   2HB   GLN  24          2HB       GLN  24  -2.195  22.236  22.131
  182   1HG   GLN  24          1HG       GLN  24  -0.692  22.467  24.024
  183   2HG   GLN  24          2HG       GLN  24  -0.662  24.220  23.838
  184   2HE2  GLN  24          2HE2      GLN  24  -3.138  21.607  24.211
  185   1HE2  GLN  24          1HE2      GLN  24  -4.121  22.495  25.271
  186    H    ASP  25           H        ASP  25  -0.337  20.758  21.856
  187    HA   ASP  25           HA       ASP  25   2.552  20.582  22.273
  188   1HB   ASP  25          1HB       ASP  25   1.744  21.676  24.349
  189   2HB   ASP  25          2HB       ASP  25   0.630  20.334  24.613
  190    H    LYS  26           H        LYS  26   1.458  19.073  20.478
  191    HA   LYS  26           HA       LYS  26  -0.040  16.773  21.111
  192   1HB   LYS  26          1HB       LYS  26   2.127  17.378  19.091
  193   2HB   LYS  26          2HB       LYS  26   1.221  15.864  19.070
  194   1HG   LYS  26          1HG       LYS  26  -0.891  17.119  18.882
  195   2HG   LYS  26          2HG       LYS  26  -0.001  18.640  18.937
  196   1HD   LYS  26          1HD       LYS  26   1.272  17.851  16.890
  197   2HD   LYS  26          2HD       LYS  26   0.135  16.507  16.789
  198   1HE   LYS  26          1HE       LYS  26  -1.748  18.124  16.633
  199   2HE   LYS  26          2HE       LYS  26  -0.584  19.462  16.691
  200   1HZ   LYS  26          1HZ       LYS  26   0.551  18.006  14.828
  201   2HZ   LYS  26          2HZ       LYS  26  -1.043  17.475  14.583
  202   3HZ   LYS  26          3HZ       LYS  26  -0.664  19.125  14.444
  203    H    LYS  27           H        LYS  27   3.186  17.551  22.066
  204    HA   LYS  27           HA       LYS  27   4.634  15.220  22.196
  205   1HB   LYS  27          1HB       LYS  27   4.100  17.271  24.367
  206   2HB   LYS  27          2HB       LYS  27   5.442  16.129  24.396
  207   1HG   LYS  27          1HG       LYS  27   6.163  17.044  22.159
  208   2HG   LYS  27          2HG       LYS  27   4.926  18.288  22.333
  209   1HD   LYS  27          1HD       LYS  27   5.974  19.100  24.382
  210   2HD   LYS  27          2HD       LYS  27   7.156  17.793  24.330
  211   1HE   LYS  27          1HE       LYS  27   7.991  18.673  22.144
  212   2HE   LYS  27          2HE       LYS  27   6.858  20.029  22.292
  213   1HZ   LYS  27          1HZ       LYS  27   7.856  20.377  24.568
  214   2HZ   LYS  27          2HZ       LYS  27   9.090  19.301  24.111
  215   3HZ   LYS  27          3HZ       LYS  27   8.870  20.759  23.265
  216    H    PHE  28           H        PHE  28   1.643  15.898  23.916
  217    HA   PHE  28           HA       PHE  28   1.696  13.986  25.981
  218   1HB   PHE  28          1HB       PHE  28  -0.635  14.686  24.170
  219   2HB   PHE  28          2HB       PHE  28  -0.722  14.168  25.853
  220    HD1  PHE  28           HD1      PHE  28   1.432  15.696  27.121
  221    HD2  PHE  28           HD2      PHE  28  -1.396  16.913  24.126
  222    HE1  PHE  28           HE1      PHE  28   1.666  18.053  27.857
  223    HE2  PHE  28           HE2      PHE  28  -1.164  19.269  24.863
  224    HZ   PHE  28           HZ       PHE  28   0.367  19.840  26.728
  225    H    PHE  29           H        PHE  29   1.639  13.489  22.554
  226    HA   PHE  29           HA       PHE  29   0.323  11.120  22.063
  227   1HB   PHE  29          1HB       PHE  29   1.754  12.478  20.513
  228   2HB   PHE  29          2HB       PHE  29   3.179  11.766  21.267
  229    HD1  PHE  29           HD1      PHE  29   3.298   9.162  21.320
  230    HD2  PHE  29           HD2      PHE  29   0.713  11.392  18.713
  231    HE1  PHE  29           HE1      PHE  29   3.103   7.192  19.828
  232    HE2  PHE  29           HE2      PHE  29   0.519   9.421  17.220
  233    HZ   PHE  29           HZ       PHE  29   1.714   7.321  17.777
  234    H    GLN  30           H        GLN  30   3.153  11.540  24.095
  235    HA   GLN  30           HA       GLN  30   4.015   8.802  24.208
  236   1HB   GLN  30          1HB       GLN  30   5.298   9.607  26.109
  237   2HB   GLN  30          2HB       GLN  30   5.261  10.885  24.891
  238   1HG   GLN  30          1HG       GLN  30   3.306  11.895  26.099
  239   2HG   GLN  30          2HG       GLN  30   3.518  10.685  27.366
  240   2HE2  GLN  30          2HE2      GLN  30   4.230  13.838  26.741
  241   1HE2  GLN  30          1HE2      GLN  30   5.682  13.994  27.605
  242    H    SER  31           H        SER  31   1.134  10.197  25.307
  243    HA   SER  31           HA       SER  31   0.743   7.939  27.242
  244   1HB   SER  31          1HB       SER  31  -0.121  10.840  27.488
  245   2HB   SER  31          2HB       SER  31  -0.501   9.567  28.649
  246    HG   SER  31           HG       SER  31   1.323  10.126  29.508
  247    H    LEU  32           H        LEU  32  -1.461   7.163  27.348
  248    HA   LEU  32           HA       LEU  32  -2.903   6.998  24.938
  249   1HB   LEU  32          1HB       LEU  32  -3.035   5.723  27.220
  250   2HB   LEU  32          2HB       LEU  32  -4.235   6.949  27.636
  251    HG   LEU  32           HG       LEU  32  -4.444   5.482  25.021
  252   1HD1  LEU  32          1HD1      LEU  32  -4.690   4.327  27.694
  253   2HD1  LEU  32          2HD1      LEU  32  -6.184   4.189  26.767
  254   3HD1  LEU  32          3HD1      LEU  32  -4.683   3.522  26.125
  255   1HD2  LEU  32          1HD2      LEU  32  -6.277   6.964  26.901
  256   2HD2  LEU  32          2HD2      LEU  32  -5.983   7.260  25.187
  257   3HD2  LEU  32          3HD2      LEU  32  -6.927   5.857  25.691
  258    H    ASP  33           H        ASP  33  -3.440   9.200  27.691
  259    HA   ASP  33           HA       ASP  33  -5.721  10.561  26.690
  260   1HB   ASP  33          1HB       ASP  33  -3.376  11.420  28.415
  261   2HB   ASP  33          2HB       ASP  33  -4.821  12.407  28.195
  262    H    GLY  34           H        GLY  34  -2.254  11.100  26.136
  263   1HA   GLY  34          1HA       GLY  34  -1.158  12.488  24.581
  264   2HA   GLY  34          2HA       GLY  34  -2.629  13.456  24.500
  265    H    ILE  35           H        ILE  35  -2.035  10.021  23.785
  266    HA   ILE  35           HA       ILE  35  -2.103  10.166  20.958
  267    HB   ILE  35           HB       ILE  35  -2.830   8.104  23.037
  268   1HG1  ILE  35          1HG1      ILE  35  -0.464   8.560  22.701
  269   2HG1  ILE  35          2HG1      ILE  35  -0.836   6.980  22.009
  270   1HG2  ILE  35          1HG2      ILE  35  -2.955   7.754  20.025
  271   2HG2  ILE  35          2HG2      ILE  35  -3.058   6.446  21.203
  272   3HG2  ILE  35          3HG2      ILE  35  -4.323   7.672  21.134
  273   1HD1  ILE  35          1HD1      ILE  35  -1.320   8.546  19.855
  274   2HD1  ILE  35          2HD1      ILE  35  -0.079   9.514  20.653
  275   3HD1  ILE  35          3HD1      ILE  35   0.264   7.846  20.193
  276    H    MET  36           H        MET  36  -4.710  10.118  23.345
  277    HA   MET  36           HA       MET  36  -6.864   9.776  21.428
  278   1HB   MET  36          1HB       MET  36  -6.472  10.402  24.303
  279   2HB   MET  36          2HB       MET  36  -7.986  10.963  23.594
  280   1HG   MET  36          1HG       MET  36  -8.224   8.591  22.631
  281   2HG   MET  36          2HG       MET  36  -6.928   8.134  23.736
  282   1HE   MET  36          1HE       MET  36 -10.162   8.203  22.926
  283   2HE   MET  36          2HE       MET  36 -11.139   7.952  24.378
  284   3HE   MET  36          3HE       MET  36 -10.851   9.583  23.779
  285    H    PHE  37           H        PHE  37  -6.038  12.651  23.426
  286    HA   PHE  37           HA       PHE  37  -7.590  14.524  22.036
  287   1HB   PHE  37          1HB       PHE  37  -6.657  15.756  23.685
  288   2HB   PHE  37          2HB       PHE  37  -5.527  14.444  24.011
  289    HD1  PHE  37           HD1      PHE  37  -3.299  14.406  22.906
  290    HD2  PHE  37           HD2      PHE  37  -5.987  17.724  22.482
  291    HE1  PHE  37           HE1      PHE  37  -1.437  15.807  22.062
  292    HE2  PHE  37           HE2      PHE  37  -4.126  19.124  21.631
  293    HZ   PHE  37           HZ       PHE  37  -1.853  18.156  21.421
  294    H    ILE  38           H        ILE  38  -4.173  13.624  21.360
  295    HA   ILE  38           HA       ILE  38  -3.736  15.262  19.105
  296    HB   ILE  38           HB       ILE  38  -2.827  12.464  19.837
  297   1HG1  ILE  38          1HG1      ILE  38  -1.672  15.243  20.125
  298   2HG1  ILE  38          2HG1      ILE  38  -2.009  14.070  21.395
  299   1HG2  ILE  38          1HG2      ILE  38  -2.648  13.682  17.300
  300   2HG2  ILE  38          2HG2      ILE  38  -1.057  13.877  18.031
  301   3HG2  ILE  38          3HG2      ILE  38  -1.758  12.268  17.862
  302   1HD1  ILE  38          1HD1      ILE  38  -0.299  12.675  19.736
  303   2HD1  ILE  38          2HD1      ILE  38   0.346  14.314  19.662
  304   3HD1  ILE  38          3HD1      ILE  38   0.176  13.503  21.219
  305    H    ASN  39           H        ASN  39  -5.444  12.171  19.390
  306    HA   ASN  39           HA       ASN  39  -5.800  11.766  16.538
  307   1HB   ASN  39          1HB       ASN  39  -7.057  10.700  19.071
  308   2HB   ASN  39          2HB       ASN  39  -7.594  10.165  17.480
  309   2HD2  ASN  39          2HD2      ASN  39  -6.288   8.423  19.410
  310   1HD2  ASN  39          1HD2      ASN  39  -4.808   7.935  18.737
  311    H    LYS  40           H        LYS  40  -7.753  13.218  19.114
  312    HA   LYS  40           HA       LYS  40 -10.007  13.791  17.318
  313   1HB   LYS  40          1HB       LYS  40  -9.905  13.282  19.894
  314   2HB   LYS  40          2HB       LYS  40  -9.540  15.002  20.036
  315   1HG   LYS  40          1HG       LYS  40 -11.604  15.394  18.556
  316   2HG   LYS  40          2HG       LYS  40 -12.015  13.709  18.877
  317   1HD   LYS  40          1HD       LYS  40 -12.289  14.091  21.187
  318   2HD   LYS  40          2HD       LYS  40 -11.375  15.599  21.138
  319   1HE   LYS  40          1HE       LYS  40 -13.168  16.806  20.234
  320   2HE   LYS  40          2HE       LYS  40 -13.922  15.355  19.544
  321   1HZ   LYS  40          1HZ       LYS  40 -14.174  14.554  21.889
  322   2HZ   LYS  40          2HZ       LYS  40 -13.707  16.097  22.415
  323   3HZ   LYS  40          3HZ       LYS  40 -15.130  15.906  21.506
  324    H    CYS  41           H        CYS  41  -7.090  15.360  18.377
  325    HA   CYS  41           HA       CYS  41  -7.697  18.100  18.095
  326   1HB   CYS  41          1HB       CYS  41  -5.581  17.355  18.935
  327   2HB   CYS  41          2HB       CYS  41  -5.264  16.406  17.487
  328    H    ALA  42           H        ALA  42  -5.931  16.297  15.587
  329    HA   ALA  42           HA       ALA  42  -6.413  18.040  13.440
  330   1HB   ALA  42          1HB       ALA  42  -5.916  15.090  13.744
  331   2HB   ALA  42          2HB       ALA  42  -6.207  15.754  12.137
  332   3HB   ALA  42          3HB       ALA  42  -4.846  16.333  13.096
  333    H    THR  43           H        THR  43  -8.514  15.569  14.814
  334    HA   THR  43           HA       THR  43 -10.485  15.684  12.656
  335    HB   THR  43           HB       THR  43 -10.548  14.553  15.474
  336    HG1  THR  43           HG1      THR  43  -9.601  13.670  13.011
  337   1HG2  THR  43          1HG2      THR  43 -12.318  14.009  13.074
  338   2HG2  THR  43          2HG2      THR  43 -12.403  13.167  14.622
  339   3HG2  THR  43          3HG2      THR  43 -12.799  14.884  14.528
  340    H    CYS  44           H        CYS  44  -9.850  17.401  15.622
  341    HA   CYS  44           HA       CYS  44 -12.569  18.473  15.904
  342   1HB   CYS  44          1HB       CYS  44 -11.213  18.149  17.870
  343   2HB   CYS  44          2HB       CYS  44  -9.868  19.041  17.158
  344    H    LYS  45           H        LYS  45  -9.395  19.645  14.771
  345    HA   LYS  45           HA       LYS  45 -10.036  22.338  14.230
  346   1HB   LYS  45          1HB       LYS  45  -7.787  21.483  14.087
  347   2HB   LYS  45          2HB       LYS  45  -8.251  20.307  12.859
  348   1HG   LYS  45          1HG       LYS  45  -9.037  22.617  11.649
  349   2HG   LYS  45          2HG       LYS  45  -7.657  23.196  12.580
  350   1HD   LYS  45          1HD       LYS  45  -7.560  20.745  10.802
  351   2HD   LYS  45          2HD       LYS  45  -7.082  22.356  10.264
  352   1HE   LYS  45          1HE       LYS  45  -5.407  22.451  12.114
  353   2HE   LYS  45          2HE       LYS  45  -5.850  20.792  12.564
  354   1HZ   LYS  45          1HZ       LYS  45  -5.171  21.466   9.769
  355   2HZ   LYS  45          2HZ       LYS  45  -3.935  21.148  10.886
  356   3HZ   LYS  45          3HZ       LYS  45  -5.101  19.958  10.549
  357    H    MET  46           H        MET  46 -10.576  19.425  12.241
  358    HA   MET  46           HA       MET  46 -11.572  20.783   9.916
  359   1HB   MET  46          1HB       MET  46 -12.338  18.551   9.315
  360   2HB   MET  46          2HB       MET  46 -10.781  18.403  10.128
  361   1HG   MET  46          1HG       MET  46 -11.733  17.033  11.635
  362   2HG   MET  46          2HG       MET  46 -12.768  18.360  12.152
  363   1HE   MET  46          1HE       MET  46 -13.649  15.914  12.756
  364   2HE   MET  46          2HE       MET  46 -15.000  15.219  11.863
  365   3HE   MET  46          3HE       MET  46 -13.341  14.760  11.461
  366    H    ILE  47           H        ILE  47 -12.995  20.006  13.001
  367    HA   ILE  47           HA       ILE  47 -15.770  20.039  12.329
  368    HB   ILE  47           HB       ILE  47 -14.365  21.034  14.833
  369   1HG1  ILE  47          1HG1      ILE  47 -13.524  18.833  14.339
  370   2HG1  ILE  47          2HG1      ILE  47 -14.747  18.643  15.594
  371   1HG2  ILE  47          1HG2      ILE  47 -17.155  19.999  14.266
  372   2HG2  ILE  47          2HG2      ILE  47 -16.493  20.138  15.895
  373   3HG2  ILE  47          3HG2      ILE  47 -16.705  21.581  14.903
  374   1HD1  ILE  47          1HD1      ILE  47 -15.227  18.269  12.621
  375   2HD1  ILE  47          2HD1      ILE  47 -15.011  16.961  13.785
  376   3HD1  ILE  47          3HD1      ILE  47 -16.414  18.022  13.902
  377    H    LEU  48           H        LEU  48 -13.467  22.646  13.039
  378    HA   LEU  48           HA       LEU  48 -15.428  24.781  13.048
  379   1HB   LEU  48          1HB       LEU  48 -12.425  24.562  12.755
  380   2HB   LEU  48          2HB       LEU  48 -13.246  26.122  12.708
  381    HG   LEU  48           HG       LEU  48 -12.506  25.665  14.989
  382   1HD1  LEU  48          1HD1      LEU  48 -15.033  26.420  14.255
  383   2HD1  LEU  48          2HD1      LEU  48 -15.377  25.065  15.330
  384   3HD1  LEU  48          3HD1      LEU  48 -14.438  26.437  15.915
  385   1HD2  LEU  48          1HD2      LEU  48 -12.570  23.127  14.611
  386   2HD2  LEU  48          2HD2      LEU  48 -13.108  23.700  16.190
  387   3HD2  LEU  48          3HD2      LEU  48 -14.293  23.228  14.972
  388    H    GLU  49           H        GLU  49 -13.275  23.363  10.595
  389    HA   GLU  49           HA       GLU  49 -13.742  25.243   8.499
  390   1HB   GLU  49          1HB       GLU  49 -13.187  22.257   8.447
  391   2HB   GLU  49          2HB       GLU  49 -12.964  23.350   7.081
  392   1HG   GLU  49          1HG       GLU  49 -11.344  24.667   8.427
  393   2HG   GLU  49          2HG       GLU  49 -11.541  23.525   9.755
  394    H    LYS  50           H        LYS  50 -15.717  22.652   9.779
  395    HA   LYS  50           HA       LYS  50 -17.477  22.413   7.470
  396   1HB   LYS  50          1HB       LYS  50 -17.577  21.586  10.382
  397   2HB   LYS  50          2HB       LYS  50 -18.867  21.194   9.246
  398   1HG   LYS  50          1HG       LYS  50 -16.026  20.556   8.515
  399   2HG   LYS  50          2HG       LYS  50 -16.892  19.490   9.622
  400   1HD   LYS  50          1HD       LYS  50 -18.698  19.226   7.965
  401   2HD   LYS  50          2HD       LYS  50 -17.851  20.309   6.861
  402   1HE   LYS  50          1HE       LYS  50 -17.381  17.966   6.254
  403   2HE   LYS  50          2HE       LYS  50 -15.902  18.718   6.881
  404   1HZ   LYS  50          1HZ       LYS  50 -17.750  17.520   8.810
  405   2HZ   LYS  50          2HZ       LYS  50 -16.833  16.453   7.861
  406   3HZ   LYS  50          3HZ       LYS  50 -16.053  17.598   8.844
  407    H    GLU  51           H        GLU  51 -17.748  24.008  10.668
  408    HA   GLU  51           HA       GLU  51 -20.343  25.075  10.432
  409   1HB   GLU  51          1HB       GLU  51 -17.805  26.180  11.675
  410   2HB   GLU  51          2HB       GLU  51 -19.416  26.819  12.002
  411   1HG   GLU  51          1HG       GLU  51 -20.129  24.606  12.828
  412   2HG   GLU  51          2HG       GLU  51 -18.521  23.962  12.496
  413    H    ALA  52           H        ALA  52 -17.366  26.068   8.861
  414    HA   ALA  52           HA       ALA  52 -18.381  28.673   7.988
  415   1HB   ALA  52          1HB       ALA  52 -16.014  28.319   8.365
  416   2HB   ALA  52          2HB       ALA  52 -16.244  28.570   6.635
  417   3HB   ALA  52          3HB       ALA  52 -15.998  26.941   7.265
  418    H    LYS  53           H        LYS  53 -19.256  29.151   5.954
  419    HA   LYS  53           HA       LYS  53 -20.686  27.171   4.510
  420   1HB   LYS  53          1HB       LYS  53 -19.627  29.904   3.721
  421   2HB   LYS  53          2HB       LYS  53 -20.848  29.016   2.810
  422   1HG   LYS  53          1HG       LYS  53 -22.365  29.048   4.704
  423   2HG   LYS  53          2HG       LYS  53 -21.127  29.765   5.735
  424   1HD   LYS  53          1HD       LYS  53 -21.094  31.775   4.306
  425   2HD   LYS  53          2HD       LYS  53 -22.322  31.057   3.263
  426   1HE   LYS  53          1HE       LYS  53 -23.851  30.923   5.267
  427   2HE   LYS  53          2HE       LYS  53 -22.636  31.834   6.183
  428   1HZ   LYS  53          1HZ       LYS  53 -23.378  32.836   3.537
  429   2HZ   LYS  53          2HZ       LYS  53 -24.515  33.042   4.783
  430   3HZ   LYS  53          3HZ       LYS  53 -22.954  33.696   4.935
  431    H    SER  54           H        SER  54 -17.330  27.994   4.418
  432    HA   SER  54           HA       SER  54 -16.667  27.296   1.726
  433   1HB   SER  54          1HB       SER  54 -15.119  27.048   4.326
  434   2HB   SER  54          2HB       SER  54 -14.400  27.012   2.717
  435    HG   SER  54           HG       SER  54 -14.269  29.092   3.178
  436    H    GLN  55           H        GLN  55 -17.464  25.340   4.516
  437    HA   GLN  55           HA       GLN  55 -17.504  22.990   4.814
  438   1HB   GLN  55          1HB       GLN  55 -19.204  23.466   3.048
  439   2HB   GLN  55          2HB       GLN  55 -17.963  23.212   1.822
  440   1HG   GLN  55          1HG       GLN  55 -19.143  21.134   2.020
  441   2HG   GLN  55          2HG       GLN  55 -17.601  20.905   2.846
  442   2HE2  GLN  55          2HE2      GLN  55 -20.838  20.274   3.223
  443   1HE2  GLN  55          1HE2      GLN  55 -20.933  20.269   4.918

  No H/Q in entry =         443
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1 -31.681  17.814  18.759
    2    H2   LYS   1           H2       LYS   1 -31.789  19.029  19.941
    3    H3   LYS   1           H3       LYS   1 -31.864  19.434  18.291
    4    HA   LYS   1           HA       LYS   1 -29.620  19.240  17.976
    5   1HB   LYS   1          1HB       LYS   1 -30.062  19.825  20.922
    6   2HB   LYS   1          2HB       LYS   1 -28.587  20.219  20.037
    7   1HG   LYS   1          1HG       LYS   1 -29.863  21.659  18.514
    8   2HG   LYS   1          2HG       LYS   1 -31.362  21.227  19.334
    9   1HD   LYS   1          1HD       LYS   1 -30.435  22.180  21.446
   10   2HD   LYS   1          2HD       LYS   1 -29.003  22.692  20.555
   11   1HE   LYS   1          1HE       LYS   1 -30.395  24.111  19.096
   12   2HE   LYS   1          2HE       LYS   1 -31.852  23.571  19.951
   13   1HZ   LYS   1          1HZ       LYS   1 -30.753  24.327  22.039
   14   2HZ   LYS   1          2HZ       LYS   1 -29.525  25.027  21.095
   15   3HZ   LYS   1          3HZ       LYS   1 -31.118  25.594  20.967
   16    H    ASN   2           H        ASN   2 -27.875  17.824  18.001
   17    HA   ASN   2           HA       ASN   2 -28.209  15.268  19.423
   18   1HB   ASN   2          1HB       ASN   2 -26.205  16.415  17.461
   19   2HB   ASN   2          2HB       ASN   2 -26.093  14.774  18.097
   20   2HD2  ASN   2          2HD2      ASN   2 -28.779  13.968  18.101
   21   1HD2  ASN   2          1HD2      ASN   2 -29.384  13.976  16.514
   22    H    GLU   3           H        GLU   3 -27.201  14.788  21.340
   23    HA   GLU   3           HA       GLU   3 -25.522  16.780  22.666
   24   1HB   GLU   3          1HB       GLU   3 -26.512  13.987  23.287
   25   2HB   GLU   3          2HB       GLU   3 -25.480  14.886  24.400
   26   1HG   GLU   3          1HG       GLU   3 -28.119  15.910  23.309
   27   2HG   GLU   3          2HG       GLU   3 -27.924  15.154  24.891
   28    H    ASP   4           H        ASP   4 -24.943  14.205  20.494
   29    HA   ASP   4           HA       ASP   4 -22.020  14.451  20.921
   30   1HB   ASP   4          1HB       ASP   4 -23.342  12.543  22.290
   31   2HB   ASP   4          2HB       ASP   4 -23.111  11.680  20.770
   32    H    GLN   5           H        GLN   5 -22.235  15.418  18.743
   33    HA   GLN   5           HA       GLN   5 -22.510  13.324  16.615
   34   1HB   GLN   5          1HB       GLN   5 -24.511  14.839  16.882
   35   2HB   GLN   5          2HB       GLN   5 -23.464  16.200  16.481
   36   1HG   GLN   5          1HG       GLN   5 -22.897  15.071  14.324
   37   2HG   GLN   5          2HG       GLN   5 -24.056  13.802  14.721
   38   2HE2  GLN   5          2HE2      GLN   5 -25.212  14.581  12.687
   39   1HE2  GLN   5          1HE2      GLN   5 -26.241  15.925  12.809
   40    H    GLU   6           H        GLU   6 -20.042  13.449  17.034
   41    HA   GLU   6           HA       GLU   6 -17.924  14.101  16.209
   42   1HB   GLU   6          1HB       GLU   6 -19.552  15.745  14.255
   43   2HB   GLU   6          2HB       GLU   6 -17.967  15.018  13.993
   44   1HG   GLU   6          1HG       GLU   6 -19.000  12.762  14.251
   45   2HG   GLU   6          2HG       GLU   6 -20.580  13.530  14.402
   46    H    MET   7           H        MET   7 -19.568  15.840  18.162
   47    HA   MET   7           HA       MET   7 -18.610  18.569  17.589
   48   1HB   MET   7          1HB       MET   7 -20.135  17.226  19.838
   49   2HB   MET   7          2HB       MET   7 -19.739  18.945  19.844
   50   1HG   MET   7          1HG       MET   7 -20.974  19.283  17.772
   51   2HG   MET   7          2HG       MET   7 -21.272  17.550  17.630
   52   1HE   MET   7          1HE       MET   7 -21.126  20.297  19.984
   53   2HE   MET   7          2HE       MET   7 -22.757  20.908  19.669
   54   3HE   MET   7          3HE       MET   7 -22.404  20.068  21.176
   55    H    CYS   8           H        CYS   8 -16.889  19.571  18.669
   56    HA   CYS   8           HA       CYS   8 -15.286  17.829  20.517
   57   1HB   CYS   8          1HB       CYS   8 -14.300  18.186  18.277
   58   2HB   CYS   8          2HB       CYS   8 -14.410  19.931  18.508
   59    H    HIS   9           H        HIS   9 -14.892  18.714  22.518
   60    HA   HIS   9           HA       HIS   9 -15.338  21.664  22.859
   61   1HB   HIS   9          1HB       HIS   9 -16.052  19.347  24.689
   62   2HB   HIS   9          2HB       HIS   9 -16.310  21.051  25.065
   63    HD1  HIS   9           HD1      HIS   9 -17.622  22.269  22.777
   64    HD2  HIS   9           HD2      HIS   9 -18.413  18.294  23.750
   65    HE1  HIS   9           HE1      HIS   9 -19.842  21.697  21.702
   66    H    GLU  10           H        GLU  10 -13.181  19.051  23.191
   67    HA   GLU  10           HA       GLU  10 -11.739  20.035  25.539
   68   1HB   GLU  10          1HB       GLU  10 -10.282  18.170  25.055
   69   2HB   GLU  10          2HB       GLU  10 -11.930  17.641  24.722
   70   1HG   GLU  10          1HG       GLU  10 -11.494  18.378  22.296
   71   2HG   GLU  10          2HG       GLU  10  -9.790  18.444  22.749
   72    H    PHE  11           H        PHE  11 -11.319  20.205  21.999
   73    HA   PHE  11           HA       PHE  11  -8.784  21.675  22.223
   74   1HB   PHE  11          1HB       PHE  11 -10.657  20.803  20.037
   75   2HB   PHE  11          2HB       PHE  11  -9.343  21.915  19.680
   76    HD1  PHE  11           HD1      PHE  11 -10.197  18.489  20.749
   77    HD2  PHE  11           HD2      PHE  11  -7.013  21.213  19.813
   78    HE1  PHE  11           HE1      PHE  11  -8.605  16.594  20.648
   79    HE2  PHE  11           HE2      PHE  11  -5.417  19.317  19.716
   80    HZ   PHE  11           HZ       PHE  11  -6.216  17.010  20.134
   81    H    GLN  12           H        GLN  12 -12.175  22.425  22.153
   82    HA   GLN  12           HA       GLN  12 -12.352  24.939  20.973
   83   1HB   GLN  12          1HB       GLN  12 -14.171  23.640  22.093
   84   2HB   GLN  12          2HB       GLN  12 -13.486  24.080  23.658
   85   1HG   GLN  12          1HG       GLN  12 -13.775  26.489  23.063
   86   2HG   GLN  12          2HG       GLN  12 -14.560  25.993  21.564
   87   2HE2  GLN  12          2HE2      GLN  12 -16.798  26.075  21.760
   88   1HE2  GLN  12          1HE2      GLN  12 -17.672  25.714  23.169
   89    H    ALA  13           H        ALA  13 -11.143  24.167  24.241
   90    HA   ALA  13           HA       ALA  13 -10.609  26.810  25.130
   91   1HB   ALA  13          1HB       ALA  13  -8.879  25.565  26.542
   92   2HB   ALA  13          2HB       ALA  13  -9.305  24.118  25.629
   93   3HB   ALA  13          3HB       ALA  13 -10.519  24.923  26.623
   94    H    PHE  14           H        PHE  14  -9.027  24.847  22.726
   95    HA   PHE  14           HA       PHE  14  -6.549  26.457  22.775
   96   1HB   PHE  14          1HB       PHE  14  -7.505  24.271  20.904
   97   2HB   PHE  14          2HB       PHE  14  -5.849  24.835  21.097
   98    HD1  PHE  14           HD1      PHE  14  -6.458  25.201  24.261
   99    HD2  PHE  14           HD2      PHE  14  -6.661  21.969  21.445
  100    HE1  PHE  14           HE1      PHE  14  -6.123  23.573  26.102
  101    HE2  PHE  14           HE2      PHE  14  -6.329  20.341  23.280
  102    HZ   PHE  14           HZ       PHE  14  -6.060  21.142  25.613
  103    H    MET  15           H        MET  15  -9.425  27.401  21.896
  104    HA   MET  15           HA       MET  15  -8.810  28.226  19.107
  105   1HB   MET  15          1HB       MET  15 -11.162  28.605  18.976
  106   2HB   MET  15          2HB       MET  15 -10.980  27.125  19.909
  107   1HG   MET  15          1HG       MET  15 -11.008  28.678  21.984
  108   2HG   MET  15          2HG       MET  15 -11.658  29.897  20.890
  109   1HE   MET  15          1HE       MET  15 -13.905  30.375  21.394
  110   2HE   MET  15          2HE       MET  15 -15.066  29.279  22.140
  111   3HE   MET  15          3HE       MET  15 -13.567  29.669  22.982
  112    H    LYS  16           H        LYS  16  -7.820  30.189  18.884
  113    HA   LYS  16           HA       LYS  16  -8.082  32.223  21.039
  114   1HB   LYS  16          1HB       LYS  16  -5.862  31.535  20.146
  115   2HB   LYS  16          2HB       LYS  16  -6.354  32.079  18.543
  116   1HG   LYS  16          1HG       LYS  16  -5.065  33.856  19.557
  117   2HG   LYS  16          2HG       LYS  16  -6.753  34.366  19.536
  118   1HD   LYS  16          1HD       LYS  16  -5.943  34.872  21.730
  119   2HD   LYS  16          2HD       LYS  16  -6.928  33.419  21.903
  120   1HE   LYS  16          1HE       LYS  16  -4.974  32.008  21.992
  121   2HE   LYS  16          2HE       LYS  16  -3.916  33.349  21.516
  122   1HZ   LYS  16          1HZ       LYS  16  -5.101  34.479  23.559
  123   2HZ   LYS  16          2HZ       LYS  16  -5.289  32.869  24.066
  124   3HZ   LYS  16          3HZ       LYS  16  -3.738  33.492  23.781
  125    H    ASN  17           H        ASN  17 -10.367  32.714  20.404
  126    HA   ASN  17           HA       ASN  17 -11.891  34.205  19.375
  127   1HB   ASN  17          1HB       ASN  17  -9.671  35.570  19.507
  128   2HB   ASN  17          2HB       ASN  17  -9.544  35.232  17.780
  129   2HD2  ASN  17          2HD2      ASN  17 -10.544  37.624  19.782
  130   1HD2  ASN  17          1HD2      ASN  17 -11.822  38.272  18.874
  131    H    GLY  18           H        GLY  18 -11.879  31.688  18.329
  132   1HA   GLY  18          1HA       GLY  18 -12.503  32.198  15.497
  133   2HA   GLY  18          2HA       GLY  18 -12.863  30.718  16.386
  134    H    LYS  19           H        LYS  19  -9.655  31.892  16.766
  135    HA   LYS  19           HA       LYS  19  -8.592  30.285  14.511
  136   1HB   LYS  19          1HB       LYS  19  -7.886  32.662  15.401
  137   2HB   LYS  19          2HB       LYS  19  -6.963  31.733  16.582
  138   1HG   LYS  19          1HG       LYS  19  -6.785  31.306  13.586
  139   2HG   LYS  19          2HG       LYS  19  -5.663  32.311  14.502
  140   1HD   LYS  19          1HD       LYS  19  -5.135  30.327  15.936
  141   2HD   LYS  19          2HD       LYS  19  -6.162  29.343  14.893
  142   1HE   LYS  19          1HE       LYS  19  -4.730  29.889  12.953
  143   2HE   LYS  19          2HE       LYS  19  -3.703  30.894  13.993
  144   1HZ   LYS  19          1HZ       LYS  19  -4.337  28.127  14.785
  145   2HZ   LYS  19          2HZ       LYS  19  -3.111  28.400  13.639
  146   3HZ   LYS  19          3HZ       LYS  19  -2.986  29.074  15.191
  147    H    LEU  20           H        LEU  20  -8.660  28.102  15.051
  148    HA   LEU  20           HA       LEU  20  -8.066  27.161  17.765
  149   1HB   LEU  20          1HB       LEU  20  -9.659  26.253  15.878
  150   2HB   LEU  20          2HB       LEU  20  -8.199  25.461  15.287
  151    HG   LEU  20           HG       LEU  20  -9.347  25.194  18.084
  152   1HD1  LEU  20          1HD1      LEU  20 -10.557  24.044  16.143
  153   2HD1  LEU  20          2HD1      LEU  20  -9.098  23.075  15.938
  154   3HD1  LEU  20          3HD1      LEU  20 -10.009  22.989  17.445
  155   1HD2  LEU  20          1HD2      LEU  20  -6.949  23.907  16.743
  156   2HD2  LEU  20          2HD2      LEU  20  -6.907  25.043  18.091
  157   3HD2  LEU  20          3HD2      LEU  20  -7.593  23.433  18.315
  158    H    PHE  21           H        PHE  21  -5.937  27.146  18.425
  159    HA   PHE  21           HA       PHE  21  -3.807  26.674  16.396
  160   1HB   PHE  21          1HB       PHE  21  -2.375  27.280  18.491
  161   2HB   PHE  21          2HB       PHE  21  -3.318  28.555  17.724
  162    HD1  PHE  21           HD1      PHE  21  -3.131  26.256  20.618
  163    HD2  PHE  21           HD2      PHE  21  -5.234  29.539  18.814
  164    HE1  PHE  21           HE1      PHE  21  -4.319  26.671  22.755
  165    HE2  PHE  21           HE2      PHE  21  -6.424  29.952  20.951
  166    HZ   PHE  21           HZ       PHE  21  -5.965  28.519  22.921
  167    H    CYS  22           H        CYS  22  -4.727  24.355  16.372
  168    HA   CYS  22           HA       CYS  22  -4.610  22.496  18.443
  169   1HB   CYS  22          1HB       CYS  22  -4.905  22.518  15.690
  170   2HB   CYS  22          2HB       CYS  22  -3.454  21.543  15.922
  171    HA   PRO  23           HA       PRO  23   0.090  21.764  17.453
  172   1HB   PRO  23          1HB       PRO  23   1.117  24.248  16.426
  173   2HB   PRO  23          2HB       PRO  23   1.077  22.673  15.631
  174   1HG   PRO  23          1HG       PRO  23  -0.497  24.980  15.014
  175   2HG   PRO  23          2HG       PRO  23  -0.582  23.385  14.263
  176   1HD   PRO  23          1HD       PRO  23  -2.474  24.620  16.075
  177   2HD   PRO  23          2HD       PRO  23  -2.611  23.052  15.249
  178    H    GLN  24           H        GLN  24  -0.353  22.059  19.804
  179    HA   GLN  24           HA       GLN  24   0.924  24.550  20.885
  180   1HB   GLN  24          1HB       GLN  24  -1.405  24.665  21.368
  181   2HB   GLN  24          2HB       GLN  24  -1.488  22.945  21.742
  182   1HG   GLN  24          1HG       GLN  24   0.108  23.424  23.679
  183   2HG   GLN  24          2HG       GLN  24  -0.189  25.135  23.378
  184   2HE2  GLN  24          2HE2      GLN  24  -1.811  22.075  24.273
  185   1HE2  GLN  24          1HE2      GLN  24  -3.161  22.813  24.993
  186    H    ASP  25           H        ASP  25  -0.176  21.556  22.430
  187    HA   ASP  25           HA       ASP  25   2.665  20.863  23.064
  188   1HB   ASP  25          1HB       ASP  25   1.262  22.176  24.838
  189   2HB   ASP  25          2HB       ASP  25   0.426  20.640  25.069
  190    H    LYS  26           H        LYS  26   2.160  19.259  21.277
  191    HA   LYS  26           HA       LYS  26   0.126  17.242  21.596
  192   1HB   LYS  26          1HB       LYS  26   2.568  17.734  19.949
  193   2HB   LYS  26          2HB       LYS  26   1.916  16.096  19.967
  194   1HG   LYS  26          1HG       LYS  26  -0.201  16.826  19.135
  195   2HG   LYS  26          2HG       LYS  26   0.181  18.520  19.445
  196   1HD   LYS  26          1HD       LYS  26   2.210  18.001  17.806
  197   2HD   LYS  26          2HD       LYS  26   1.127  16.731  17.238
  198   1HE   LYS  26          1HE       LYS  26  -0.658  18.446  16.893
  199   2HE   LYS  26          2HE       LYS  26   0.499  19.703  17.371
  200   1HZ   LYS  26          1HZ       LYS  26   2.008  18.871  15.637
  201   2HZ   LYS  26          2HZ       LYS  26   0.825  17.755  15.142
  202   3HZ   LYS  26          3HZ       LYS  26   0.542  19.419  14.978
  203    H    LYS  27           H        LYS  27   2.878  17.779  23.444
  204    HA   LYS  27           HA       LYS  27   4.243  15.434  23.876
  205   1HB   LYS  27          1HB       LYS  27   3.082  17.531  25.694
  206   2HB   LYS  27          2HB       LYS  27   3.978  16.179  26.385
  207   1HG   LYS  27          1HG       LYS  27   5.919  16.722  24.982
  208   2HG   LYS  27          2HG       LYS  27   5.023  18.042  24.232
  209   1HD   LYS  27          1HD       LYS  27   4.703  18.909  26.663
  210   2HD   LYS  27          2HD       LYS  27   6.033  17.824  27.063
  211   1HE   LYS  27          1HE       LYS  27   7.481  18.946  25.424
  212   2HE   LYS  27          2HE       LYS  27   6.138  19.999  24.937
  213   1HZ   LYS  27          1HZ       LYS  27   5.958  20.539  27.403
  214   2HZ   LYS  27          2HZ       LYS  27   7.501  19.848  27.566
  215   3HZ   LYS  27          3HZ       LYS  27   7.282  21.208  26.577
  216    H    PHE  28           H        PHE  28   0.850  16.020  24.571
  217    HA   PHE  28           HA       PHE  28   0.177  14.029  26.403
  218   1HB   PHE  28          1HB       PHE  28  -1.289  14.761  23.849
  219   2HB   PHE  28          2HB       PHE  28  -2.013  14.138  25.329
  220    HD1  PHE  28           HD1      PHE  28  -0.889  15.560  27.498
  221    HD2  PHE  28           HD2      PHE  28  -1.773  17.026  23.557
  222    HE1  PHE  28           HE1      PHE  28  -1.061  17.866  28.394
  223    HE2  PHE  28           HE2      PHE  28  -1.947  19.331  24.455
  224    HZ   PHE  28           HZ       PHE  28  -1.590  19.751  26.873
  225    H    PHE  29           H        PHE  29   1.358  13.614  23.149
  226    HA   PHE  29           HA       PHE  29   0.351  11.070  22.443
  227   1HB   PHE  29          1HB       PHE  29   1.675  12.587  21.010
  228   2HB   PHE  29          2HB       PHE  29   3.094  12.305  22.016
  229    HD1  PHE  29           HD1      PHE  29   3.813   9.798  22.320
  230    HD2  PHE  29           HD2      PHE  29   1.288  11.219  19.150
  231    HE1  PHE  29           HE1      PHE  29   4.356   7.781  20.984
  232    HE2  PHE  29           HE2      PHE  29   1.832   9.202  17.812
  233    HZ   PHE  29           HZ       PHE  29   3.365   7.483  18.730
  234    H    GLN  30           H        GLN  30   2.497  11.924  25.009
  235    HA   GLN  30           HA       GLN  30   4.079   9.566  25.255
  236   1HB   GLN  30          1HB       GLN  30   3.006  11.628  27.189
  237   2HB   GLN  30          2HB       GLN  30   4.122  10.360  27.695
  238   1HG   GLN  30          1HG       GLN  30   5.513  11.194  25.603
  239   2HG   GLN  30          2HG       GLN  30   4.592  12.677  25.850
  240   2HE2  GLN  30          2HE2      GLN  30   5.663  14.117  27.199
  241   1HE2  GLN  30          1HE2      GLN  30   6.688  13.683  28.480
  242    H    SER  31           H        SER  31   0.696   9.952  25.631
  243    HA   SER  31           HA       SER  31   0.532   7.229  26.833
  244   1HB   SER  31          1HB       SER  31  -1.241   8.240  28.408
  245   2HB   SER  31          2HB       SER  31   0.445   8.620  28.761
  246    HG   SER  31           HG       SER  31  -1.589  10.262  28.048
  247    H    LEU  32           H        LEU  32  -1.748   6.380  26.698
  248    HA   LEU  32           HA       LEU  32  -2.881   6.719  24.099
  249   1HB   LEU  32          1HB       LEU  32  -3.022   4.850  25.964
  250   2HB   LEU  32          2HB       LEU  32  -4.456   5.749  26.460
  251    HG   LEU  32           HG       LEU  32  -4.048   4.967  23.578
  252   1HD1  LEU  32          1HD1      LEU  32  -4.891   3.268  25.891
  253   2HD1  LEU  32          2HD1      LEU  32  -5.737   3.065  24.358
  254   3HD1  LEU  32          3HD1      LEU  32  -3.992   2.818  24.443
  255   1HD2  LEU  32          1HD2      LEU  32  -6.326   5.827  25.348
  256   2HD2  LEU  32          2HD2      LEU  32  -5.826   6.486  23.791
  257   3HD2  LEU  32          3HD2      LEU  32  -6.645   4.926  23.867
  258    H    ASP  33           H        ASP  33  -4.179   7.737  27.273
  259    HA   ASP  33           HA       ASP  33  -6.415   9.187  26.340
  260   1HB   ASP  33          1HB       ASP  33  -5.887   8.595  28.702
  261   2HB   ASP  33          2HB       ASP  33  -4.571   9.770  28.686
  262    H    GLY  34           H        GLY  34  -3.029  10.170  26.724
  263   1HA   GLY  34          1HA       GLY  34  -1.934  12.147  26.042
  264   2HA   GLY  34          2HA       GLY  34  -3.517  12.915  25.899
  265    H    ILE  35           H        ILE  35  -2.576   9.901  24.345
  266    HA   ILE  35           HA       ILE  35  -1.884  10.959  21.775
  267    HB   ILE  35           HB       ILE  35  -2.627   8.363  23.030
  268   1HG1  ILE  35          1HG1      ILE  35  -0.294   9.244  22.798
  269   2HG1  ILE  35          2HG1      ILE  35  -0.523   7.671  22.035
  270   1HG2  ILE  35          1HG2      ILE  35  -4.053   8.401  20.981
  271   2HG2  ILE  35          2HG2      ILE  35  -2.608   8.697  20.014
  272   3HG2  ILE  35          3HG2      ILE  35  -2.784   7.181  20.897
  273   1HD1  ILE  35          1HD1      ILE  35  -1.125   9.200  19.926
  274   2HD1  ILE  35          2HD1      ILE  35  -0.096  10.349  20.777
  275   3HD1  ILE  35          3HD1      ILE  35   0.543   8.775  20.308
  276    H    MET  36           H        MET  36  -4.973   9.987  23.228
  277    HA   MET  36           HA       MET  36  -6.669   9.949  21.005
  278   1HB   MET  36          1HB       MET  36  -6.870  10.704  23.881
  279   2HB   MET  36          2HB       MET  36  -8.225  11.145  22.841
  280   1HG   MET  36          1HG       MET  36  -8.456   8.824  22.104
  281   2HG   MET  36          2HG       MET  36  -7.039   8.360  23.044
  282   1HE   MET  36          1HE       MET  36 -10.363   9.142  22.565
  283   2HE   MET  36          2HE       MET  36 -11.043   7.956  23.688
  284   3HE   MET  36          3HE       MET  36 -11.122   9.676  24.062
  285    H    PHE  37           H        PHE  37  -5.840  12.856  22.955
  286    HA   PHE  37           HA       PHE  37  -7.253  14.795  21.560
  287   1HB   PHE  37          1HB       PHE  37  -6.111  15.987  23.097
  288   2HB   PHE  37          2HB       PHE  37  -5.061  14.604  23.385
  289    HD1  PHE  37           HD1      PHE  37  -2.958  14.338  22.026
  290    HD2  PHE  37           HD2      PHE  37  -5.357  17.891  21.878
  291    HE1  PHE  37           HE1      PHE  37  -1.069  15.566  21.006
  292    HE2  PHE  37           HE2      PHE  37  -3.466  19.122  20.852
  293    HZ   PHE  37           HZ       PHE  37  -1.327  17.951  20.417
  294    H    ILE  38           H        ILE  38  -3.983  13.585  20.672
  295    HA   ILE  38           HA       ILE  38  -3.519  15.106  18.371
  296    HB   ILE  38           HB       ILE  38  -2.968  12.196  19.017
  297   1HG1  ILE  38          1HG1      ILE  38  -1.380  14.764  19.286
  298   2HG1  ILE  38          2HG1      ILE  38  -1.931  13.707  20.587
  299   1HG2  ILE  38          1HG2      ILE  38  -2.859  12.695  16.555
  300   2HG2  ILE  38          2HG2      ILE  38  -1.644  13.925  16.906
  301   3HG2  ILE  38          3HG2      ILE  38  -1.306  12.228  17.247
  302   1HD1  ILE  38          1HD1      ILE  38  -0.417  12.172  18.672
  303   2HD1  ILE  38          2HD1      ILE  38   0.526  13.570  19.186
  304   3HD1  ILE  38          3HD1      ILE  38  -0.087  12.432  20.384
  305    H    ASN  39           H        ASN  39  -5.543  12.215  18.744
  306    HA   ASN  39           HA       ASN  39  -6.194  11.971  15.924
  307   1HB   ASN  39          1HB       ASN  39  -7.433  10.947  18.498
  308   2HB   ASN  39          2HB       ASN  39  -7.964  10.441  16.894
  309   2HD2  ASN  39          2HD2      ASN  39  -6.360   9.064  19.234
  310   1HD2  ASN  39          1HD2      ASN  39  -5.064   8.334  18.417
  311    H    LYS  40           H        LYS  40  -7.455  13.807  18.625
  312    HA   LYS  40           HA       LYS  40  -9.886  14.588  17.098
  313   1HB   LYS  40          1HB       LYS  40  -8.873  14.817  19.926
  314   2HB   LYS  40          2HB       LYS  40 -10.208  15.835  19.386
  315   1HG   LYS  40          1HG       LYS  40 -11.532  13.900  18.794
  316   2HG   LYS  40          2HG       LYS  40 -10.168  12.820  19.085
  317   1HD   LYS  40          1HD       LYS  40 -10.230  13.947  21.491
  318   2HD   LYS  40          2HD       LYS  40 -11.912  14.251  21.054
  319   1HE   LYS  40          1HE       LYS  40 -12.100  11.781  20.471
  320   2HE   LYS  40          2HE       LYS  40 -10.504  11.566  21.215
  321   1HZ   LYS  40          1HZ       LYS  40 -12.661  13.041  22.603
  322   2HZ   LYS  40          2HZ       LYS  40 -12.564  11.349  22.712
  323   3HZ   LYS  40          3HZ       LYS  40 -11.280  12.308  23.268
  324    H    CYS  41           H        CYS  41  -6.691  15.657  17.680
  325    HA   CYS  41           HA       CYS  41  -6.978  18.490  17.762
  326   1HB   CYS  41          1HB       CYS  41  -4.876  17.436  18.225
  327   2HB   CYS  41          2HB       CYS  41  -4.884  16.590  16.681
  328    H    ALA  42           H        ALA  42  -5.798  16.742  14.899
  329    HA   ALA  42           HA       ALA  42  -6.446  18.740  13.005
  330   1HB   ALA  42          1HB       ALA  42  -5.139  16.392  12.990
  331   2HB   ALA  42          2HB       ALA  42  -5.710  17.145  11.501
  332   3HB   ALA  42          3HB       ALA  42  -6.650  15.857  12.255
  333    H    THR  43           H        THR  43  -8.440  16.172  14.379
  334    HA   THR  43           HA       THR  43 -10.646  16.453  12.517
  335    HB   THR  43           HB       THR  43 -10.638  15.406  15.365
  336    HG1  THR  43           HG1      THR  43  -9.504  13.784  14.683
  337   1HG2  THR  43          1HG2      THR  43 -12.675  15.638  13.490
  338   2HG2  THR  43          2HG2      THR  43 -12.138  13.967  13.314
  339   3HG2  THR  43          3HG2      THR  43 -12.673  14.561  14.886
  340    H    CYS  44           H        CYS  44 -10.285  17.419  15.956
  341    HA   CYS  44           HA       CYS  44 -12.637  18.903  16.265
  342   1HB   CYS  44          1HB       CYS  44  -9.819  19.205  17.317
  343   2HB   CYS  44          2HB       CYS  44 -11.118  20.261  17.869
  344    H    LYS  45           H        LYS  45  -9.790  19.662  14.398
  345    HA   LYS  45           HA       LYS  45 -10.184  22.513  14.166
  346   1HB   LYS  45          1HB       LYS  45  -8.060  21.396  13.709
  347   2HB   LYS  45          2HB       LYS  45  -8.805  20.443  12.426
  348   1HG   LYS  45          1HG       LYS  45  -9.465  22.864  11.517
  349   2HG   LYS  45          2HG       LYS  45  -8.044  23.334  12.448
  350   1HD   LYS  45          1HD       LYS  45  -6.834  21.401  11.252
  351   2HD   LYS  45          2HD       LYS  45  -8.209  21.383  10.147
  352   1HE   LYS  45          1HE       LYS  45  -7.807  23.726   9.550
  353   2HE   LYS  45          2HE       LYS  45  -6.488  23.823  10.733
  354   1HZ   LYS  45          1HZ       LYS  45  -6.472  21.635   8.772
  355   2HZ   LYS  45          2HZ       LYS  45  -6.012  23.183   8.243
  356   3HZ   LYS  45          3HZ       LYS  45  -5.166  22.428   9.509
  357    H    MET  46           H        MET  46 -10.960  19.802  11.934
  358    HA   MET  46           HA       MET  46 -12.283  21.366   9.958
  359   1HB   MET  46          1HB       MET  46 -13.272  19.180   9.324
  360   2HB   MET  46          2HB       MET  46 -11.555  19.025   9.689
  361   1HG   MET  46          1HG       MET  46 -11.938  17.724  11.513
  362   2HG   MET  46          2HG       MET  46 -13.330  18.679  12.019
  363   1HE   MET  46          1HE       MET  46 -12.046  16.649   9.085
  364   2HE   MET  46          2HE       MET  46 -13.458  15.815   8.441
  365   3HE   MET  46          3HE       MET  46 -13.311  17.570   8.277
  366    H    ILE  47           H        ILE  47 -13.335  20.228  13.096
  367    HA   ILE  47           HA       ILE  47 -16.156  20.377  12.814
  368    HB   ILE  47           HB       ILE  47 -14.400  21.150  15.171
  369   1HG1  ILE  47          1HG1      ILE  47 -13.715  18.974  14.433
  370   2HG1  ILE  47          2HG1      ILE  47 -14.799  18.713  15.799
  371   1HG2  ILE  47          1HG2      ILE  47 -17.285  20.275  14.911
  372   2HG2  ILE  47          2HG2      ILE  47 -16.408  20.220  16.440
  373   3HG2  ILE  47          3HG2      ILE  47 -16.669  21.763  15.628
  374   1HD1  ILE  47          1HD1      ILE  47 -16.563  18.775  13.693
  375   2HD1  ILE  47          2HD1      ILE  47 -15.152  18.011  12.957
  376   3HD1  ILE  47          3HD1      ILE  47 -15.892  17.300  14.392
  377    H    LEU  48           H        LEU  48 -13.741  22.908  13.460
  378    HA   LEU  48           HA       LEU  48 -15.643  25.048  13.864
  379   1HB   LEU  48          1HB       LEU  48 -12.710  24.834  13.153
  380   2HB   LEU  48          2HB       LEU  48 -13.504  26.399  13.328
  381    HG   LEU  48           HG       LEU  48 -12.518  25.842  15.461
  382   1HD1  LEU  48          1HD1      LEU  48 -15.203  26.395  15.101
  383   2HD1  LEU  48          2HD1      LEU  48 -15.238  25.003  16.185
  384   3HD1  LEU  48          3HD1      LEU  48 -14.351  26.457  16.645
  385   1HD2  LEU  48          1HD2      LEU  48 -12.441  23.350  14.915
  386   2HD2  LEU  48          2HD2      LEU  48 -12.859  23.754  16.579
  387   3HD2  LEU  48          3HD2      LEU  48 -14.121  23.276  15.444
  388    H    GLU  49           H        GLU  49 -13.802  23.866  11.046
  389    HA   GLU  49           HA       GLU  49 -14.919  25.888   9.245
  390   1HB   GLU  49          1HB       GLU  49 -13.436  23.284   8.745
  391   2HB   GLU  49          2HB       GLU  49 -13.664  24.579   7.570
  392   1HG   GLU  49          1HG       GLU  49 -12.448  25.288  10.207
  393   2HG   GLU  49          2HG       GLU  49 -11.445  24.419   9.046
  394    H    LYS  50           H        LYS  50 -15.912  22.836  10.489
  395    HA   LYS  50           HA       LYS  50 -17.522  21.880   8.305
  396   1HB   LYS  50          1HB       LYS  50 -16.735  20.568  10.267
  397   2HB   LYS  50          2HB       LYS  50 -17.788  21.523  11.310
  398   1HG   LYS  50          1HG       LYS  50 -18.909  20.078   8.915
  399   2HG   LYS  50          2HG       LYS  50 -18.658  19.227  10.440
  400   1HD   LYS  50          1HD       LYS  50 -19.924  21.301  11.464
  401   2HD   LYS  50          2HD       LYS  50 -20.531  21.490   9.819
  402   1HE   LYS  50          1HE       LYS  50 -21.490  19.266   9.841
  403   2HE   LYS  50          2HE       LYS  50 -20.700  18.889  11.384
  404   1HZ   LYS  50          1HZ       LYS  50 -22.344  21.314  11.211
  405   2HZ   LYS  50          2HZ       LYS  50 -23.149  19.821  11.307
  406   3HZ   LYS  50          3HZ       LYS  50 -22.073  20.290  12.535
  407    H    GLU  51           H        GLU  51 -18.193  24.036  11.059
  408    HA   GLU  51           HA       GLU  51 -21.030  24.254  10.632
  409   1HB   GLU  51          1HB       GLU  51 -19.817  24.838  12.712
  410   2HB   GLU  51          2HB       GLU  51 -19.019  26.165  11.867
  411   1HG   GLU  51          1HG       GLU  51 -21.177  27.243  11.456
  412   2HG   GLU  51          2HG       GLU  51 -22.021  25.888  12.204
  413    H    ALA  52           H        ALA  52 -18.243  25.879   9.225
  414    HA   ALA  52           HA       ALA  52 -19.805  28.012   7.970
  415   1HB   ALA  52          1HB       ALA  52 -17.559  28.519   8.506
  416   2HB   ALA  52          2HB       ALA  52 -16.972  26.980   7.875
  417   3HB   ALA  52          3HB       ALA  52 -17.507  28.242   6.764
  418    H    LYS  53           H        LYS  53 -18.731  24.782   7.112
  419    HA   LYS  53           HA       LYS  53 -19.088  25.043   4.246
  420   1HB   LYS  53          1HB       LYS  53 -17.666  23.346   5.298
  421   2HB   LYS  53          2HB       LYS  53 -19.061  22.669   6.138
  422   1HG   LYS  53          1HG       LYS  53 -20.096  22.077   3.995
  423   2HG   LYS  53          2HG       LYS  53 -18.751  22.814   3.123
  424   1HD   LYS  53          1HD       LYS  53 -17.194  21.191   4.056
  425   2HD   LYS  53          2HD       LYS  53 -18.463  20.511   5.076
  426   1HE   LYS  53          1HE       LYS  53 -19.689  19.729   3.121
  427   2HE   LYS  53          2HE       LYS  53 -18.543  20.541   2.036
  428   1HZ   LYS  53          1HZ       LYS  53 -16.766  19.224   3.209
  429   2HZ   LYS  53          2HZ       LYS  53 -18.006  18.307   3.922
  430   3HZ   LYS  53          3HZ       LYS  53 -17.808  18.308   2.234
  431    H    SER  54           H        SER  54 -21.213  24.289   6.948
  432    HA   SER  54           HA       SER  54 -23.371  23.162   5.368
  433   1HB   SER  54          1HB       SER  54 -24.593  23.397   7.485
  434   2HB   SER  54          2HB       SER  54 -22.964  22.800   7.803
  435    HG   SER  54           HG       SER  54 -22.483  25.178   8.008
  436    H    GLN  55           H        GLN  55 -22.232  26.370   5.900
  437    HA   GLN  55           HA       GLN  55 -24.859  27.615   5.297
  438   1HB   GLN  55          1HB       GLN  55 -22.097  28.725   5.896
  439   2HB   GLN  55          2HB       GLN  55 -23.562  29.695   5.744
  440   1HG   GLN  55          1HG       GLN  55 -23.054  27.514   7.791
  441   2HG   GLN  55          2HG       GLN  55 -23.130  29.248   8.108
  442   2HE2  GLN  55          2HE2      GLN  55 -25.185  30.116   8.550
  443   1HE2  GLN  55          1HE2      GLN  55 -26.644  29.276   8.337

  No H/Q in entry =         443
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -31.388  19.911  18.607
    2    H2   LYS   1           H2       LYS   1 -32.656  18.960  17.995
    3    H3   LYS   1           H3       LYS   1 -31.869  18.503  19.428
    4    HA   LYS   1           HA       LYS   1 -30.916  17.088  17.862
    5   1HB   LYS   1          1HB       LYS   1 -30.542  17.797  15.595
    6   2HB   LYS   1          2HB       LYS   1 -32.115  18.441  16.062
    7   1HG   LYS   1          1HG       LYS   1 -31.026  20.606  16.635
    8   2HG   LYS   1          2HG       LYS   1 -29.485  19.953  16.077
    9   1HD   LYS   1          1HD       LYS   1 -31.959  20.079  14.334
   10   2HD   LYS   1          2HD       LYS   1 -30.734  21.348  14.364
   11   1HE   LYS   1          1HE       LYS   1 -29.012  19.748  13.655
   12   2HE   LYS   1          2HE       LYS   1 -30.197  18.428  13.703
   13   1HZ   LYS   1          1HZ       LYS   1 -31.537  20.160  12.245
   14   2HZ   LYS   1          2HZ       LYS   1 -29.971  20.668  11.829
   15   3HZ   LYS   1          3HZ       LYS   1 -30.452  19.065  11.541
   16    H    ASN   2           H        ASN   2 -28.586  17.668  16.455
   17    HA   ASN   2           HA       ASN   2 -26.821  18.627  18.643
   18   1HB   ASN   2          1HB       ASN   2 -26.368  17.200  16.003
   19   2HB   ASN   2          2HB       ASN   2 -25.081  17.591  17.144
   20   2HD2  ASN   2          2HD2      ASN   2 -26.499  17.044  19.591
   21   1HD2  ASN   2          1HD2      ASN   2 -26.809  15.377  19.660
   22    H    GLU   3           H        GLU   3 -25.451  20.422  18.395
   23    HA   GLU   3           HA       GLU   3 -26.221  22.428  16.425
   24   1HB   GLU   3          1HB       GLU   3 -24.146  22.170  18.609
   25   2HB   GLU   3          2HB       GLU   3 -24.241  23.607  17.590
   26   1HG   GLU   3          1HG       GLU   3 -26.613  23.900  18.246
   27   2HG   GLU   3          2HG       GLU   3 -26.489  22.483  19.291
   28    H    ASP   4           H        ASP   4 -23.880  19.880  16.534
   29    HA   ASP   4           HA       ASP   4 -22.053  19.355  15.113
   30   1HB   ASP   4          1HB       ASP   4 -24.157  20.705  13.424
   31   2HB   ASP   4          2HB       ASP   4 -22.692  20.049  12.696
   32    H    GLN   5           H        GLN   5 -22.093  22.090  16.490
   33    HA   GLN   5           HA       GLN   5 -20.179  23.470  14.628
   34   1HB   GLN   5          1HB       GLN   5 -22.430  24.407  16.373
   35   2HB   GLN   5          2HB       GLN   5 -21.057  25.487  16.129
   36   1HG   GLN   5          1HG       GLN   5 -21.338  25.359  13.706
   37   2HG   GLN   5          2HG       GLN   5 -22.636  24.179  13.894
   38   2HE2  GLN   5          2HE2      GLN   5 -24.718  24.954  14.689
   39   1HE2  GLN   5          1HE2      GLN   5 -25.083  26.611  14.754
   40    H    GLU   6           H        GLU   6 -20.688  22.008  17.667
   41    HA   GLU   6           HA       GLU   6 -17.976  22.847  18.569
   42   1HB   GLU   6          1HB       GLU   6 -18.935  23.324  20.816
   43   2HB   GLU   6          2HB       GLU   6 -19.633  24.375  19.584
   44   1HG   GLU   6          1HG       GLU   6 -21.634  23.047  19.472
   45   2HG   GLU   6          2HG       GLU   6 -20.914  21.773  20.457
   46    H    MET   7           H        MET   7 -19.389  20.377  17.496
   47    HA   MET   7           HA       MET   7 -20.023  18.379  19.256
   48   1HB   MET   7          1HB       MET   7 -18.125  18.333  16.892
   49   2HB   MET   7          2HB       MET   7 -18.804  16.879  17.625
   50   1HG   MET   7          1HG       MET   7 -21.053  17.575  17.086
   51   2HG   MET   7          2HG       MET   7 -20.490  19.164  16.567
   52   1HE   MET   7          1HE       MET   7 -19.776  15.598  16.421
   53   2HE   MET   7          2HE       MET   7 -19.870  15.090  14.738
   54   3HE   MET   7          3HE       MET   7 -18.364  15.760  15.380
   55    H    CYS   8           H        CYS   8 -16.686  19.445  18.518
   56    HA   CYS   8           HA       CYS   8 -15.577  17.660  20.591
   57   1HB   CYS   8          1HB       CYS   8 -14.505  18.073  18.377
   58   2HB   CYS   8          2HB       CYS   8 -14.306  19.770  18.816
   59    H    HIS   9           H        HIS   9 -15.365  18.322  22.688
   60    HA   HIS   9           HA       HIS   9 -15.474  21.258  23.272
   61   1HB   HIS   9          1HB       HIS   9 -16.288  20.485  25.482
   62   2HB   HIS   9          2HB       HIS   9 -17.272  19.821  24.178
   63    HD1  HIS   9           HD1      HIS   9 -14.488  18.838  26.555
   64    HD2  HIS   9           HD2      HIS   9 -17.225  17.026  23.985
   65    HE1  HIS   9           HE1      HIS   9 -14.323  16.345  26.974
   66    H    GLU  10           H        GLU  10 -13.439  18.486  23.335
   67    HA   GLU  10           HA       GLU  10 -11.755  19.114  25.575
   68   1HB   GLU  10          1HB       GLU  10 -11.806  16.930  24.506
   69   2HB   GLU  10          2HB       GLU  10 -11.304  17.630  22.968
   70   1HG   GLU  10          1HG       GLU  10  -9.381  16.595  24.092
   71   2HG   GLU  10          2HG       GLU  10  -9.168  18.344  24.012
   72    H    PHE  11           H        PHE  11 -11.535  19.949  22.106
   73    HA   PHE  11           HA       PHE  11  -9.131  21.602  22.604
   74   1HB   PHE  11          1HB       PHE  11 -10.742  20.717  20.208
   75   2HB   PHE  11          2HB       PHE  11  -9.448  21.904  20.059
   76    HD1  PHE  11           HD1      PHE  11 -10.182  18.459  21.312
   77    HD2  PHE  11           HD2      PHE  11  -7.191  21.224  19.948
   78    HE1  PHE  11           HE1      PHE  11  -8.503  16.636  21.296
   79    HE2  PHE  11           HE2      PHE  11  -5.513  19.401  19.937
   80    HZ   PHE  11           HZ       PHE  11  -6.168  17.110  20.611
   81    H    GLN  12           H        GLN  12 -12.552  21.989  22.462
   82    HA   GLN  12           HA       GLN  12 -13.014  24.490  21.342
   83   1HB   GLN  12          1HB       GLN  12 -14.640  22.927  22.453
   84   2HB   GLN  12          2HB       GLN  12 -14.051  23.495  24.015
   85   1HG   GLN  12          1HG       GLN  12 -14.812  25.730  23.582
   86   2HG   GLN  12          2HG       GLN  12 -15.138  25.359  21.890
   87   2HE2  GLN  12          2HE2      GLN  12 -16.776  25.920  24.671
   88   1HE2  GLN  12          1HE2      GLN  12 -18.114  24.897  24.453
   89    H    ALA  13           H        ALA  13 -11.213  23.747  24.257
   90    HA   ALA  13           HA       ALA  13 -11.206  26.489  25.283
   91   1HB   ALA  13          1HB       ALA  13 -10.045  25.521  27.057
   92   2HB   ALA  13          2HB       ALA  13  -9.208  24.372  26.014
   93   3HB   ALA  13          3HB       ALA  13 -10.905  24.116  26.423
   94    H    PHE  14           H        PHE  14  -9.340  24.664  22.978
   95    HA   PHE  14           HA       PHE  14  -6.997  26.444  23.138
   96   1HB   PHE  14          1HB       PHE  14  -7.708  24.279  21.139
   97   2HB   PHE  14          2HB       PHE  14  -6.104  24.908  21.499
   98    HD1  PHE  14           HD1      PHE  14  -6.869  25.119  24.595
   99    HD2  PHE  14           HD2      PHE  14  -6.927  21.980  21.667
  100    HE1  PHE  14           HE1      PHE  14  -6.615  23.433  26.397
  101    HE2  PHE  14           HE2      PHE  14  -6.674  20.293  23.467
  102    HZ   PHE  14           HZ       PHE  14  -6.519  21.020  25.833
  103    H    MET  15           H        MET  15  -9.876  27.235  22.199
  104    HA   MET  15           HA       MET  15  -9.478  27.995  19.395
  105   1HB   MET  15          1HB       MET  15 -11.566  28.393  21.534
  106   2HB   MET  15          2HB       MET  15 -11.688  29.240  19.991
  107   1HG   MET  15          1HG       MET  15 -11.271  26.866  18.965
  108   2HG   MET  15          2HG       MET  15 -11.796  26.291  20.544
  109   1HE   MET  15          1HE       MET  15 -13.831  26.960  21.715
  110   2HE   MET  15          2HE       MET  15 -13.905  28.683  21.357
  111   3HE   MET  15          3HE       MET  15 -15.297  27.660  21.016
  112    H    LYS  16           H        LYS  16  -9.022  30.074  18.649
  113    HA   LYS  16           HA       LYS  16  -8.363  32.148  20.719
  114   1HB   LYS  16          1HB       LYS  16  -6.476  30.809  19.483
  115   2HB   LYS  16          2HB       LYS  16  -6.892  31.832  18.107
  116   1HG   LYS  16          1HG       LYS  16  -6.750  33.595  20.280
  117   2HG   LYS  16          2HG       LYS  16  -5.386  32.500  20.506
  118   1HD   LYS  16          1HD       LYS  16  -4.580  32.955  18.260
  119   2HD   LYS  16          2HD       LYS  16  -6.011  33.921  17.902
  120   1HE   LYS  16          1HE       LYS  16  -5.281  35.718  19.187
  121   2HE   LYS  16          2HE       LYS  16  -4.341  34.683  20.280
  122   1HZ   LYS  16          1HZ       LYS  16  -3.601  34.658  17.455
  123   2HZ   LYS  16          2HZ       LYS  16  -3.217  36.069  18.321
  124   3HZ   LYS  16          3HZ       LYS  16  -2.612  34.570  18.834
  125    H    ASN  17           H        ASN  17 -10.404  33.210  20.316
  126    HA   ASN  17           HA       ASN  17 -11.837  34.709  19.184
  127   1HB   ASN  17          1HB       ASN  17  -9.223  35.097  17.688
  128   2HB   ASN  17          2HB       ASN  17 -10.603  36.189  17.578
  129   2HD2  ASN  17          2HD2      ASN  17  -7.685  35.980  19.070
  130   1HD2  ASN  17          1HD2      ASN  17  -8.027  36.795  20.519
  131    H    GLY  18           H        GLY  18 -12.187  32.096  18.395
  132   1HA   GLY  18          1HA       GLY  18 -13.100  32.434  15.633
  133   2HA   GLY  18          2HA       GLY  18 -13.373  31.017  16.648
  134    H    LYS  19           H        LYS  19 -10.234  31.397  17.110
  135    HA   LYS  19           HA       LYS  19  -9.455  29.884  14.635
  136   1HB   LYS  19          1HB       LYS  19  -8.587  32.282  15.094
  137   2HB   LYS  19          2HB       LYS  19  -7.624  31.541  16.372
  138   1HG   LYS  19          1HG       LYS  19  -7.599  30.487  13.540
  139   2HG   LYS  19          2HG       LYS  19  -6.505  31.766  14.066
  140   1HD   LYS  19          1HD       LYS  19  -5.743  30.253  15.926
  141   2HD   LYS  19          2HD       LYS  19  -6.720  28.968  15.217
  142   1HE   LYS  19          1HE       LYS  19  -5.362  28.832  13.290
  143   2HE   LYS  19          2HE       LYS  19  -4.681  30.449  13.549
  144   1HZ   LYS  19          1HZ       LYS  19  -4.352  28.224  15.487
  145   2HZ   LYS  19          2HZ       LYS  19  -3.222  28.537  14.256
  146   3HZ   LYS  19          3HZ       LYS  19  -3.521  29.702  15.456
  147    H    LEU  20           H        LEU  20  -9.413  27.759  15.337
  148    HA   LEU  20           HA       LEU  20  -8.479  27.064  18.046
  149   1HB   LEU  20          1HB       LEU  20 -10.311  25.803  17.273
  150   2HB   LEU  20          2HB       LEU  20  -9.651  25.670  15.645
  151    HG   LEU  20           HG       LEU  20  -7.797  24.242  16.619
  152   1HD1  LEU  20          1HD1      LEU  20  -9.497  24.701  19.047
  153   2HD1  LEU  20          2HD1      LEU  20  -8.664  23.157  18.865
  154   3HD1  LEU  20          3HD1      LEU  20  -7.739  24.659  18.909
  155   1HD2  LEU  20          1HD2      LEU  20 -10.491  23.600  15.986
  156   2HD2  LEU  20          2HD2      LEU  20  -9.079  22.550  15.880
  157   3HD2  LEU  20          3HD2      LEU  20 -10.032  22.600  17.363
  158    H    PHE  21           H        PHE  21  -6.285  26.902  18.396
  159    HA   PHE  21           HA       PHE  21  -4.510  26.268  16.094
  160   1HB   PHE  21          1HB       PHE  21  -2.745  26.811  17.926
  161   2HB   PHE  21          2HB       PHE  21  -3.733  28.130  17.309
  162    HD1  PHE  21           HD1      PHE  21  -3.173  25.851  20.168
  163    HD2  PHE  21           HD2      PHE  21  -5.411  29.203  18.682
  164    HE1  PHE  21           HE1      PHE  21  -3.970  26.337  22.464
  165    HE2  PHE  21           HE2      PHE  21  -6.208  29.689  20.978
  166    HZ   PHE  21           HZ       PHE  21  -5.487  28.256  22.870
  167    H    CYS  22           H        CYS  22  -5.112  24.008  15.956
  168    HA   CYS  22           HA       CYS  22  -5.097  22.095  18.002
  169   1HB   CYS  22          1HB       CYS  22  -5.872  21.394  15.926
  170   2HB   CYS  22          2HB       CYS  22  -4.532  22.129  15.056
  171    HA   PRO  23           HA       PRO  23  -0.343  21.454  17.187
  172   1HB   PRO  23          1HB       PRO  23   0.706  24.025  16.438
  173   2HB   PRO  23          2HB       PRO  23   0.742  22.522  15.514
  174   1HG   PRO  23          1HG       PRO  23  -0.833  24.858  15.000
  175   2HG   PRO  23          2HG       PRO  23  -0.829  23.338  14.102
  176   1HD   PRO  23          1HD       PRO  23  -2.874  24.368  15.867
  177   2HD   PRO  23          2HD       PRO  23  -2.901  22.866  14.915
  178    H    GLN  24           H        GLN  24  -0.921  21.548  19.529
  179    HA   GLN  24           HA       GLN  24   0.021  24.049  20.886
  180   1HB   GLN  24          1HB       GLN  24  -2.257  23.567  21.415
  181   2HB   GLN  24          2HB       GLN  24  -1.922  21.846  21.605
  182   1HG   GLN  24          1HG       GLN  24  -0.504  22.354  23.576
  183   2HG   GLN  24          2HG       GLN  24  -0.888  24.065  23.397
  184   2HE2  GLN  24          2HE2      GLN  24  -2.590  20.894  23.726
  185   1HE2  GLN  24          1HE2      GLN  24  -3.865  21.512  24.662
  186    H    ASP  25           H        ASP  25  -0.328  20.760  22.150
  187    HA   ASP  25           HA       ASP  25   2.629  20.515  22.430
  188   1HB   ASP  25          1HB       ASP  25   1.706  21.676  24.428
  189   2HB   ASP  25          2HB       ASP  25   0.611  20.318  24.692
  190    H    LYS  26           H        LYS  26   1.672  18.921  20.647
  191    HA   LYS  26           HA       LYS  26   0.139  16.643  21.300
  192   1HB   LYS  26          1HB       LYS  26   2.291  17.323  19.321
  193   2HB   LYS  26          2HB       LYS  26   1.671  15.674  19.390
  194   1HG   LYS  26          1HG       LYS  26  -0.553  16.385  18.894
  195   2HG   LYS  26          2HG       LYS  26  -0.155  18.077  19.189
  196   1HD   LYS  26          1HD       LYS  26  -0.044  18.049  16.877
  197   2HD   LYS  26          2HD       LYS  26   1.624  17.621  17.257
  198   1HE   LYS  26          1HE       LYS  26   1.066  15.221  17.033
  199   2HE   LYS  26          2HE       LYS  26  -0.613  15.650  16.653
  200   1HZ   LYS  26          1HZ       LYS  26   1.577  16.948  15.177
  201   2HZ   LYS  26          2HZ       LYS  26   1.130  15.370  14.742
  202   3HZ   LYS  26          3HZ       LYS  26  -0.014  16.624  14.676
  203    H    LYS  27           H        LYS  27   3.295  17.476  22.397
  204    HA   LYS  27           HA       LYS  27   4.754  15.159  22.673
  205   1HB   LYS  27          1HB       LYS  27   4.102  17.365  24.637
  206   2HB   LYS  27          2HB       LYS  27   5.335  16.152  24.967
  207   1HG   LYS  27          1HG       LYS  27   6.529  16.784  22.913
  208   2HG   LYS  27          2HG       LYS  27   5.281  17.974  22.542
  209   1HD   LYS  27          1HD       LYS  27   5.801  19.123  24.702
  210   2HD   LYS  27          2HD       LYS  27   7.120  17.980  24.956
  211   1HE   LYS  27          1HE       LYS  27   8.178  18.739  22.841
  212   2HE   LYS  27          2HE       LYS  27   6.862  19.907  22.616
  213   1HZ   LYS  27          1HZ       LYS  27   8.570  19.742  25.047
  214   2HZ   LYS  27          2HZ       LYS  27   8.822  20.850  23.785
  215   3HZ   LYS  27          3HZ       LYS  27   7.400  20.925  24.706
  216    H    PHE  28           H        PHE  28   1.670  15.867  24.208
  217    HA   PHE  28           HA       PHE  28   1.649  14.005  26.330
  218   1HB   PHE  28          1HB       PHE  28  -0.609  14.701  24.425
  219   2HB   PHE  28          2HB       PHE  28  -0.768  14.182  26.103
  220    HD1  PHE  28           HD1      PHE  28   1.261  15.693  27.523
  221    HD2  PHE  28           HD2      PHE  28  -1.286  16.939  24.296
  222    HE1  PHE  28           HE1      PHE  28   1.461  18.050  28.272
  223    HE2  PHE  28           HE2      PHE  28  -1.087  19.293  25.045
  224    HZ   PHE  28           HZ       PHE  28   0.287  19.849  27.034
  225    H    PHE  29           H        PHE  29   1.753  13.423  22.923
  226    HA   PHE  29           HA       PHE  29   0.404  11.076  22.419
  227   1HB   PHE  29          1HB       PHE  29   1.983  12.360  20.930
  228   2HB   PHE  29          2HB       PHE  29   3.324  11.579  21.766
  229    HD1  PHE  29           HD1      PHE  29   3.078   8.919  21.970
  230    HD2  PHE  29           HD2      PHE  29   1.173  11.358  18.991
  231    HE1  PHE  29           HE1      PHE  29   2.829   6.934  20.504
  232    HE2  PHE  29           HE2      PHE  29   0.925   9.372  17.525
  233    HZ   PHE  29           HZ       PHE  29   1.753   7.161  18.282
  234    H    GLN  30           H        GLN  30   3.128  11.478  24.591
  235    HA   GLN  30           HA       GLN  30   3.902   8.726  24.832
  236   1HB   GLN  30          1HB       GLN  30   5.167   9.553  26.693
  237   2HB   GLN  30          2HB       GLN  30   5.099  10.877  25.529
  238   1HG   GLN  30          1HG       GLN  30   3.159  11.827  26.768
  239   2HG   GLN  30          2HG       GLN  30   3.318  10.539  27.961
  240   2HE2  GLN  30          2HE2      GLN  30   4.057  13.712  27.599
  241   1HE2  GLN  30          1HE2      GLN  30   5.495  13.795  28.499
  242    H    SER  31           H        SER  31   0.997  10.217  25.709
  243    HA   SER  31           HA       SER  31   0.430   8.032  27.681
  244   1HB   SER  31          1HB       SER  31  -0.848   9.718  28.969
  245   2HB   SER  31          2HB       SER  31   0.838  10.204  28.795
  246    HG   SER  31           HG       SER  31   0.278  11.668  27.279
  247    H    LEU  32           H        LEU  32  -1.810   7.327  27.667
  248    HA   LEU  32           HA       LEU  32  -3.079   7.085  25.176
  249   1HB   LEU  32          1HB       LEU  32  -3.438   5.963  27.517
  250   2HB   LEU  32          2HB       LEU  32  -4.623   7.248  27.751
  251    HG   LEU  32           HG       LEU  32  -4.662   5.619  25.223
  252   1HD1  LEU  32          1HD1      LEU  32  -5.479   4.772  27.973
  253   2HD1  LEU  32          2HD1      LEU  32  -6.524   4.328  26.624
  254   3HD1  LEU  32          3HD1      LEU  32  -4.841   3.803  26.646
  255   1HD2  LEU  32          1HD2      LEU  32  -6.550   7.335  26.814
  256   2HD2  LEU  32          2HD2      LEU  32  -6.165   7.406  25.093
  257   3HD2  LEU  32          3HD2      LEU  32  -7.193   6.116  25.715
  258    H    ASP  33           H        ASP  33  -3.880   9.398  27.781
  259    HA   ASP  33           HA       ASP  33  -5.962  10.795  26.486
  260   1HB   ASP  33          1HB       ASP  33  -3.762  11.701  28.373
  261   2HB   ASP  33          2HB       ASP  33  -5.177  12.680  27.986
  262    H    GLY  34           H        GLY  34  -2.450  11.126  26.205
  263   1HA   GLY  34          1HA       GLY  34  -1.151  12.395  24.706
  264   2HA   GLY  34          2HA       GLY  34  -2.547  13.443  24.472
  265    H    ILE  35           H        ILE  35  -2.038   9.964  23.906
  266    HA   ILE  35           HA       ILE  35  -1.900  10.014  21.084
  267    HB   ILE  35           HB       ILE  35  -2.721   8.079  23.220
  268   1HG1  ILE  35          1HG1      ILE  35  -0.358   8.397  22.683
  269   2HG1  ILE  35          2HG1      ILE  35  -0.863   6.787  22.167
  270   1HG2  ILE  35          1HG2      ILE  35  -3.368   7.825  20.296
  271   2HG2  ILE  35          2HG2      ILE  35  -2.897   6.387  21.203
  272   3HG2  ILE  35          3HG2      ILE  35  -4.315   7.315  21.694
  273   1HD1  ILE  35          1HD1      ILE  35  -1.409   8.563  20.013
  274   2HD1  ILE  35          2HD1      ILE  35   0.228   8.913  20.571
  275   3HD1  ILE  35          3HD1      ILE  35  -0.201   7.277  20.072
  276    H    MET  36           H        MET  36  -4.678  10.181  23.262
  277    HA   MET  36           HA       MET  36  -6.659   9.900  21.129
  278   1HB   MET  36          1HB       MET  36  -6.565  10.477  24.057
  279   2HB   MET  36          2HB       MET  36  -8.020  10.950  23.179
  280   1HG   MET  36          1HG       MET  36  -6.788   8.175  23.170
  281   2HG   MET  36          2HG       MET  36  -8.222   8.651  24.081
  282   1HE   MET  36          1HE       MET  36 -10.316   8.618  23.470
  283   2HE   MET  36          2HE       MET  36 -10.328  10.084  22.492
  284   3HE   MET  36          3HE       MET  36 -11.063   8.610  21.866
  285    H    PHE  37           H        PHE  37  -5.974  12.659  23.329
  286    HA   PHE  37           HA       PHE  37  -7.355  14.647  21.960
  287   1HB   PHE  37          1HB       PHE  37  -6.413  15.770  23.683
  288   2HB   PHE  37          2HB       PHE  37  -5.346  14.400  23.977
  289    HD1  PHE  37           HD1      PHE  37  -3.097  14.315  22.936
  290    HD2  PHE  37           HD2      PHE  37  -5.631  17.754  22.557
  291    HE1  PHE  37           HE1      PHE  37  -1.154  15.658  22.198
  292    HE2  PHE  37           HE2      PHE  37  -3.687  19.103  21.812
  293    HZ   PHE  37           HZ       PHE  37  -1.450  18.047  21.631
  294    H    ILE  38           H        ILE  38  -3.960  13.642  21.341
  295    HA   ILE  38           HA       ILE  38  -3.359  15.346  19.194
  296    HB   ILE  38           HB       ILE  38  -2.669  12.462  19.809
  297   1HG1  ILE  38          1HG1      ILE  38  -1.305  15.139  20.183
  298   2HG1  ILE  38          2HG1      ILE  38  -1.766  13.975  21.425
  299   1HG2  ILE  38          1HG2      ILE  38  -2.472  12.974  17.348
  300   2HG2  ILE  38          2HG2      ILE  38  -1.330  14.254  17.762
  301   3HG2  ILE  38          3HG2      ILE  38  -0.938  12.572  18.120
  302   1HD1  ILE  38          1HD1      ILE  38  -0.153  12.447  19.815
  303   2HD1  ILE  38          2HD1      ILE  38   0.620  14.028  19.695
  304   3HD1  ILE  38          3HD1      ILE  38   0.391  13.276  21.274
  305    H    ASN  39           H        ASN  39  -5.204  12.310  19.206
  306    HA   ASN  39           HA       ASN  39  -5.551  12.168  16.335
  307   1HB   ASN  39          1HB       ASN  39  -6.844  10.959  18.777
  308   2HB   ASN  39          2HB       ASN  39  -7.491  10.632  17.170
  309   2HD2  ASN  39          2HD2      ASN  39  -5.948   8.847  19.149
  310   1HD2  ASN  39          1HD2      ASN  39  -4.667   8.222  18.228
  311    H    LYS  40           H        LYS  40  -7.369  13.646  18.982
  312    HA   LYS  40           HA       LYS  40  -9.627  14.403  17.267
  313   1HB   LYS  40          1HB       LYS  40  -8.750  15.023  20.101
  314   2HB   LYS  40          2HB       LYS  40 -10.247  15.643  19.405
  315   1HG   LYS  40          1HG       LYS  40 -11.043  13.370  18.997
  316   2HG   LYS  40          2HG       LYS  40  -9.514  12.704  19.569
  317   1HD   LYS  40          1HD       LYS  40 -10.614  12.563  21.565
  318   2HD   LYS  40          2HD       LYS  40 -10.200  14.274  21.689
  319   1HE   LYS  40          1HE       LYS  40 -12.370  14.920  20.789
  320   2HE   LYS  40          2HE       LYS  40 -12.779  13.226  20.464
  321   1HZ   LYS  40          1HZ       LYS  40 -11.959  14.140  23.159
  322   2HZ   LYS  40          2HZ       LYS  40 -13.579  14.223  22.664
  323   3HZ   LYS  40          3HZ       LYS  40 -12.789  12.720  22.734
  324    H    CYS  41           H        CYS  41  -6.548  15.753  18.152
  325    HA   CYS  41           HA       CYS  41  -6.909  18.517  18.025
  326   1HB   CYS  41          1HB       CYS  41  -4.813  16.903  18.212
  327   2HB   CYS  41          2HB       CYS  41  -4.693  17.209  16.479
  328    H    ALA  42           H        ALA  42  -5.980  16.566  15.162
  329    HA   ALA  42           HA       ALA  42  -6.696  18.607  13.267
  330   1HB   ALA  42          1HB       ALA  42  -6.010  15.690  13.267
  331   2HB   ALA  42          2HB       ALA  42  -5.179  17.031  12.478
  332   3HB   ALA  42          3HB       ALA  42  -6.671  16.390  11.790
  333    H    THR  43           H        THR  43  -8.468  15.907  14.710
  334    HA   THR  43           HA       THR  43 -10.715  15.908  12.920
  335    HB   THR  43           HB       THR  43 -10.581  15.203  15.867
  336    HG1  THR  43           HG1      THR  43  -9.987  13.141  15.062
  337   1HG2  THR  43          1HG2      THR  43 -12.596  14.941  13.787
  338   2HG2  THR  43          2HG2      THR  43 -12.153  13.372  14.456
  339   3HG2  THR  43          3HG2      THR  43 -12.737  14.651  15.521
  340    H    CYS  44           H        CYS  44 -10.466  17.272  16.235
  341    HA   CYS  44           HA       CYS  44 -12.921  18.671  16.245
  342   1HB   CYS  44          1HB       CYS  44 -10.245  19.343  17.514
  343   2HB   CYS  44          2HB       CYS  44 -11.796  20.010  18.022
  344    H    LYS  45           H        LYS  45  -9.771  19.608  14.914
  345    HA   LYS  45           HA       LYS  45 -10.254  22.359  14.424
  346   1HB   LYS  45          1HB       LYS  45  -8.078  21.284  14.212
  347   2HB   LYS  45          2HB       LYS  45  -8.675  20.257  12.908
  348   1HG   LYS  45          1HG       LYS  45  -9.300  22.665  11.873
  349   2HG   LYS  45          2HG       LYS  45  -7.917  23.138  12.860
  350   1HD   LYS  45          1HD       LYS  45  -6.597  21.289  11.796
  351   2HD   LYS  45          2HD       LYS  45  -7.968  20.979  10.730
  352   1HE   LYS  45          1HE       LYS  45  -7.752  23.102   9.662
  353   2HE   LYS  45          2HE       LYS  45  -6.692  23.720  10.942
  354   1HZ   LYS  45          1HZ       LYS  45  -5.083  21.985  10.364
  355   2HZ   LYS  45          2HZ       LYS  45  -6.087  21.459   9.102
  356   3HZ   LYS  45          3HZ       LYS  45  -5.384  23.005   9.038
  357    H    MET  46           H        MET  46 -10.777  19.579  12.206
  358    HA   MET  46           HA       MET  46 -11.892  21.059  10.055
  359   1HB   MET  46          1HB       MET  46 -12.647  18.885   9.302
  360   2HB   MET  46          2HB       MET  46 -11.095  18.667  10.106
  361   1HG   MET  46          1HG       MET  46 -12.018  17.275  11.610
  362   2HG   MET  46          2HG       MET  46 -13.226  18.482  12.042
  363   1HE   MET  46          1HE       MET  46 -15.312  18.973  10.782
  364   2HE   MET  46          2HE       MET  46 -14.616  18.980   9.164
  365   3HE   MET  46          3HE       MET  46 -16.038  17.995   9.499
  366    H    ILE  47           H        ILE  47 -13.278  20.099  13.108
  367    HA   ILE  47           HA       ILE  47 -16.054  20.159  12.474
  368    HB   ILE  47           HB       ILE  47 -14.624  21.063  14.996
  369   1HG1  ILE  47          1HG1      ILE  47 -13.793  18.883  14.428
  370   2HG1  ILE  47          2HG1      ILE  47 -15.026  18.641  15.666
  371   1HG2  ILE  47          1HG2      ILE  47 -17.120  21.521  14.753
  372   2HG2  ILE  47          2HG2      ILE  47 -17.346  19.773  14.698
  373   3HG2  ILE  47          3HG2      ILE  47 -16.662  20.529  16.137
  374   1HD1  ILE  47          1HD1      ILE  47 -16.691  18.228  13.821
  375   2HD1  ILE  47          2HD1      ILE  47 -15.355  18.286  12.672
  376   3HD1  ILE  47          3HD1      ILE  47 -15.407  17.022  13.901
  377    H    LEU  48           H        LEU  48 -13.757  22.760  13.218
  378    HA   LEU  48           HA       LEU  48 -15.788  24.856  13.279
  379   1HB   LEU  48          1HB       LEU  48 -12.766  24.734  13.156
  380   2HB   LEU  48          2HB       LEU  48 -13.639  26.266  13.178
  381    HG   LEU  48           HG       LEU  48 -13.030  25.691  15.458
  382   1HD1  LEU  48          1HD1      LEU  48 -15.584  26.286  14.607
  383   2HD1  LEU  48          2HD1      LEU  48 -15.850  24.876  15.634
  384   3HD1  LEU  48          3HD1      LEU  48 -15.051  26.306  16.288
  385   1HD2  LEU  48          1HD2      LEU  48 -12.928  23.175  14.860
  386   2HD2  LEU  48          2HD2      LEU  48 -13.506  23.604  16.469
  387   3HD2  LEU  48          3HD2      LEU  48 -14.657  23.161  15.208
  388    H    GLU  49           H        GLU  49 -13.431  23.637  10.902
  389    HA   GLU  49           HA       GLU  49 -13.777  25.603   8.883
  390   1HB   GLU  49          1HB       GLU  49 -13.246  22.618   8.716
  391   2HB   GLU  49          2HB       GLU  49 -12.949  23.765   7.410
  392   1HG   GLU  49          1HG       GLU  49 -11.453  25.041   9.015
  393   2HG   GLU  49          2HG       GLU  49 -11.611  23.680  10.126
  394    H    LYS  50           H        LYS  50 -15.849  22.960   9.881
  395    HA   LYS  50           HA       LYS  50 -17.457  22.837   7.470
  396   1HB   LYS  50          1HB       LYS  50 -17.848  21.991  10.355
  397   2HB   LYS  50          2HB       LYS  50 -18.991  21.596   9.072
  398   1HG   LYS  50          1HG       LYS  50 -16.048  20.927   8.873
  399   2HG   LYS  50          2HG       LYS  50 -17.219  19.820   9.589
  400   1HD   LYS  50          1HD       LYS  50 -18.571  20.091   7.429
  401   2HD   LYS  50          2HD       LYS  50 -17.135  20.856   6.750
  402   1HE   LYS  50          1HE       LYS  50 -15.821  18.795   7.389
  403   2HE   LYS  50          2HE       LYS  50 -17.357  18.029   7.842
  404   1HZ   LYS  50          1HZ       LYS  50 -18.192  18.639   5.600
  405   2HZ   LYS  50          2HZ       LYS  50 -16.634  19.165   5.188
  406   3HZ   LYS  50          3HZ       LYS  50 -16.908  17.528   5.550
  407    H    GLU  51           H        GLU  51 -17.698  24.606  10.548
  408    HA   GLU  51           HA       GLU  51 -20.328  25.679  10.146
  409   1HB   GLU  51          1HB       GLU  51 -19.048  25.581  12.284
  410   2HB   GLU  51          2HB       GLU  51 -17.941  26.799  11.650
  411   1HG   GLU  51          1HG       GLU  51 -19.889  28.344  11.355
  412   2HG   GLU  51          2HG       GLU  51 -20.916  27.138  12.131
  413    H    ALA  52           H        ALA  52 -17.142  26.659   9.013
  414    HA   ALA  52           HA       ALA  52 -18.011  29.297   8.091
  415   1HB   ALA  52          1HB       ALA  52 -15.643  28.125   8.751
  416   2HB   ALA  52          2HB       ALA  52 -15.579  27.999   6.992
  417   3HB   ALA  52          3HB       ALA  52 -15.759  29.578   7.757
  418    H    LYS  53           H        LYS  53 -17.946  26.055   6.808
  419    HA   LYS  53           HA       LYS  53 -18.395  25.222   4.630
  420   1HB   LYS  53          1HB       LYS  53 -20.266  27.604   4.843
  421   2HB   LYS  53          2HB       LYS  53 -20.497  26.204   3.795
  422   1HG   LYS  53          1HG       LYS  53 -20.606  24.731   5.761
  423   2HG   LYS  53          2HG       LYS  53 -20.330  26.111   6.823
  424   1HD   LYS  53          1HD       LYS  53 -22.647  25.989   4.881
  425   2HD   LYS  53          2HD       LYS  53 -22.767  25.402   6.539
  426   1HE   LYS  53          1HE       LYS  53 -22.023  27.675   7.334
  427   2HE   LYS  53          2HE       LYS  53 -22.114  28.235   5.653
  428   1HZ   LYS  53          1HZ       LYS  53 -24.357  26.799   6.951
  429   2HZ   LYS  53          2HZ       LYS  53 -24.203  28.487   7.069
  430   3HZ   LYS  53          3HZ       LYS  53 -24.391  27.751   5.549
  431    H    SER  54           H        SER  54 -16.103  26.833   4.538
  432    HA   SER  54           HA       SER  54 -16.306  28.968   2.587
  433   1HB   SER  54          1HB       SER  54 -13.839  28.805   2.672
  434   2HB   SER  54          2HB       SER  54 -14.525  28.741   4.295
  435    HG   SER  54           HG       SER  54 -12.878  27.100   3.641
  436    H    GLN  55           H        GLN  55 -16.145  25.509   2.377
  437    HA   GLN  55           HA       GLN  55 -15.026  25.391  -0.322
  438   1HB   GLN  55          1HB       GLN  55 -16.497  23.425   1.462
  439   2HB   GLN  55          2HB       GLN  55 -15.736  22.990  -0.068
  440   1HG   GLN  55          1HG       GLN  55 -14.201  24.379   2.131
  441   2HG   GLN  55          2HG       GLN  55 -14.345  22.623   2.068
  442   2HE2  GLN  55          2HE2      GLN  55 -11.905  22.710   1.704
  443   1HE2  GLN  55          1HE2      GLN  55 -11.338  22.977   0.126

  No H/Q in entry =         443
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -26.190  10.630  22.121
    2    H2   LYS   1           H2       LYS   1 -25.350  11.093  23.519
    3    H3   LYS   1           H3       LYS   1 -26.898  11.723  23.212
    4    HA   LYS   1           HA       LYS   1 -26.159  13.218  21.667
    5   1HB   LYS   1          1HB       LYS   1 -23.871  12.563  23.544
    6   2HB   LYS   1          2HB       LYS   1 -23.925  14.026  22.562
    7   1HG   LYS   1          1HG       LYS   1 -26.096  14.625  23.616
    8   2HG   LYS   1          2HG       LYS   1 -25.976  13.190  24.636
    9   1HD   LYS   1          1HD       LYS   1 -23.941  14.029  25.666
   10   2HD   LYS   1          2HD       LYS   1 -23.900  15.399  24.556
   11   1HE   LYS   1          1HE       LYS   1 -26.078  16.189  25.489
   12   2HE   LYS   1          2HE       LYS   1 -26.034  14.850  26.652
   13   1HZ   LYS   1          1HZ       LYS   1 -23.840  15.638  27.374
   14   2HZ   LYS   1          2HZ       LYS   1 -23.957  16.956  26.312
   15   3HZ   LYS   1          3HZ       LYS   1 -25.034  16.822  27.619
   16    H    ASN   2           H        ASN   2 -25.292  13.370  19.617
   17    HA   ASN   2           HA       ASN   2 -23.800  11.082  18.539
   18   1HB   ASN   2          1HB       ASN   2 -24.709  13.727  17.356
   19   2HB   ASN   2          2HB       ASN   2 -24.098  12.359  16.428
   20   2HD2  ASN   2          2HD2      ASN   2 -25.371  10.190  17.641
   21   1HD2  ASN   2          1HD2      ASN   2 -27.055  10.345  17.492
   22    H    GLU   3           H        GLU   3 -21.730  11.391  17.376
   23    HA   GLU   3           HA       GLU   3 -19.773  12.840  18.913
   24   1HB   GLU   3          1HB       GLU   3 -19.822  11.444  16.230
   25   2HB   GLU   3          2HB       GLU   3 -18.349  12.168  16.875
   26   1HG   GLU   3          1HG       GLU   3 -18.531  10.772  18.892
   27   2HG   GLU   3          2HG       GLU   3 -20.029  10.069  18.282
   28    H    ASP   4           H        ASP   4 -21.725  13.666  16.124
   29    HA   ASP   4           HA       ASP   4 -20.099  15.891  15.207
   30   1HB   ASP   4          1HB       ASP   4 -22.941  14.938  14.814
   31   2HB   ASP   4          2HB       ASP   4 -22.347  16.410  14.044
   32    H    GLN   5           H        GLN   5 -22.351  15.442  17.797
   33    HA   GLN   5           HA       GLN   5 -23.196  18.223  18.038
   34   1HB   GLN   5          1HB       GLN   5 -24.455  16.208  18.832
   35   2HB   GLN   5          2HB       GLN   5 -23.196  15.937  20.037
   36   1HG   GLN   5          1HG       GLN   5 -23.750  17.882  21.236
   37   2HG   GLN   5          2HG       GLN   5 -24.584  18.603  19.859
   38   2HE2  GLN   5          2HE2      GLN   5 -25.845  18.326  22.439
   39   1HE2  GLN   5          1HE2      GLN   5 -27.121  17.217  22.283
   40    H    GLU   6           H        GLU   6 -21.192  19.428  18.113
   41    HA   GLU   6           HA       GLU   6 -19.432  20.504  19.270
   42   1HB   GLU   6          1HB       GLU   6 -20.493  18.997  21.672
   43   2HB   GLU   6          2HB       GLU   6 -19.693  20.568  21.649
   44   1HG   GLU   6          1HG       GLU   6 -21.582  21.574  20.503
   45   2HG   GLU   6          2HG       GLU   6 -22.359  20.001  20.320
   46    H    MET   7           H        MET   7 -18.897  17.974  17.978
   47    HA   MET   7           HA       MET   7 -17.621  15.945  19.344
   48   1HB   MET   7          1HB       MET   7 -17.870  16.469  16.821
   49   2HB   MET   7          2HB       MET   7 -16.346  17.340  16.986
   50   1HG   MET   7          1HG       MET   7 -15.453  15.177  18.087
   51   2HG   MET   7          2HG       MET   7 -16.880  14.398  17.401
   52   1HE   MET   7          1HE       MET   7 -17.631  15.320  14.960
   53   2HE   MET   7          2HE       MET   7 -16.583  14.748  13.665
   54   3HE   MET   7          3HE       MET   7 -17.088  13.638  14.936
   55    H    CYS   8           H        CYS   8 -16.460  19.259  18.924
   56    HA   CYS   8           HA       CYS   8 -13.828  18.664  20.109
   57   1HB   CYS   8          1HB       CYS   8 -15.281  21.164  19.196
   58   2HB   CYS   8          2HB       CYS   8 -13.641  21.187  19.843
   59    H    HIS   9           H        HIS   9 -13.420  18.777  22.287
   60    HA   HIS   9           HA       HIS   9 -15.289  20.362  24.008
   61   1HB   HIS   9          1HB       HIS   9 -15.959  18.030  24.101
   62   2HB   HIS   9          2HB       HIS   9 -14.292  17.520  24.361
   63    HD1  HIS   9           HD1      HIS   9 -16.744  19.910  26.067
   64    HD2  HIS   9           HD2      HIS   9 -13.776  17.151  27.040
   65    HE1  HIS   9           HE1      HIS   9 -16.644  19.829  28.596
   66    H    GLU  10           H        GLU  10 -12.128  18.742  23.715
   67    HA   GLU  10           HA       GLU  10 -11.063  20.286  26.012
   68   1HB   GLU  10          1HB       GLU  10  -9.189  18.779  25.791
   69   2HB   GLU  10          2HB       GLU  10 -10.652  17.820  25.562
   70   1HG   GLU  10          1HG       GLU  10 -10.392  17.930  23.139
   71   2HG   GLU  10          2HG       GLU  10  -9.005  19.006  23.307
   72    H    PHE  11           H        PHE  11 -10.829  20.145  22.485
   73    HA   PHE  11           HA       PHE  11  -8.546  21.939  22.291
   74   1HB   PHE  11          1HB       PHE  11 -10.675  20.942  20.393
   75   2HB   PHE  11          2HB       PHE  11  -9.351  21.979  19.874
   76    HD1  PHE  11           HD1      PHE  11  -7.016  21.189  19.950
   77    HD2  PHE  11           HD2      PHE  11 -10.292  18.624  21.015
   78    HE1  PHE  11           HE1      PHE  11  -5.530  19.214  19.765
   79    HE2  PHE  11           HE2      PHE  11  -8.805  16.652  20.832
   80    HZ   PHE  11           HZ       PHE  11  -6.424  16.946  20.207
   81    H    GLN  12           H        GLN  12 -12.004  22.349  22.621
   82    HA   GLN  12           HA       GLN  12 -12.547  24.803  21.444
   83   1HB   GLN  12          1HB       GLN  12 -14.081  23.356  22.808
   84   2HB   GLN  12          2HB       GLN  12 -13.293  23.964  24.265
   85   1HG   GLN  12          1HG       GLN  12 -13.967  26.245  23.729
   86   2HG   GLN  12          2HG       GLN  12 -14.643  25.717  22.189
   87   2HE2  GLN  12          2HE2      GLN  12 -16.340  27.018  24.023
   88   1HE2  GLN  12          1HE2      GLN  12 -17.443  25.900  24.666
   89    H    ALA  13           H        ALA  13 -10.995  24.295  24.629
   90    HA   ALA  13           HA       ALA  13 -10.606  27.016  25.323
   91   1HB   ALA  13          1HB       ALA  13  -8.382  25.398  26.143
   92   2HB   ALA  13          2HB       ALA  13  -9.773  25.903  27.104
   93   3HB   ALA  13          3HB       ALA  13  -9.838  24.402  26.179
   94    H    PHE  14           H        PHE  14  -9.088  25.084  22.870
   95    HA   PHE  14           HA       PHE  14  -6.728  26.859  22.657
   96   1HB   PHE  14          1HB       PHE  14  -7.650  24.530  20.946
   97   2HB   PHE  14          2HB       PHE  14  -6.027  25.205  21.024
   98    HD1  PHE  14           HD1      PHE  14  -6.685  25.605  24.244
   99    HD2  PHE  14           HD2      PHE  14  -6.419  22.337  21.469
  100    HE1  PHE  14           HE1      PHE  14  -6.138  24.065  26.109
  101    HE2  PHE  14           HE2      PHE  14  -5.874  20.798  23.331
  102    HZ   PHE  14           HZ       PHE  14  -5.733  21.661  25.654
  103    H    MET  15           H        MET  15  -9.792  27.432  21.875
  104    HA   MET  15           HA       MET  15  -9.355  28.199  19.042
  105   1HB   MET  15          1HB       MET  15 -11.728  28.322  18.974
  106   2HB   MET  15          2HB       MET  15 -11.381  26.944  20.008
  107   1HG   MET  15          1HG       MET  15 -11.540  28.581  21.977
  108   2HG   MET  15          2HG       MET  15 -12.241  29.721  20.832
  109   1HE   MET  15          1HE       MET  15 -13.722  28.022  18.839
  110   2HE   MET  15          2HE       MET  15 -15.352  27.897  19.494
  111   3HE   MET  15          3HE       MET  15 -14.472  29.428  19.589
  112    H    LYS  16           H        LYS  16  -8.550  30.219  18.695
  113    HA   LYS  16           HA       LYS  16  -8.957  32.348  20.731
  114   1HB   LYS  16          1HB       LYS  16  -6.697  31.777  19.821
  115   2HB   LYS  16          2HB       LYS  16  -7.260  32.239  18.215
  116   1HG   LYS  16          1HG       LYS  16  -7.965  34.394  19.859
  117   2HG   LYS  16          2HG       LYS  16  -6.353  33.929  20.403
  118   1HD   LYS  16          1HD       LYS  16  -5.822  33.831  17.829
  119   2HD   LYS  16          2HD       LYS  16  -7.238  34.873  17.691
  120   1HE   LYS  16          1HE       LYS  16  -6.240  36.576  19.039
  121   2HE   LYS  16          2HE       LYS  16  -4.968  35.479  19.610
  122   1HZ   LYS  16          1HZ       LYS  16  -5.372  36.039  16.729
  123   2HZ   LYS  16          2HZ       LYS  16  -4.390  37.037  17.686
  124   3HZ   LYS  16          3HZ       LYS  16  -4.000  35.394  17.496
  125    H    ASN  17           H        ASN  17 -11.211  32.784  20.208
  126    HA   ASN  17           HA       ASN  17 -12.909  33.977  19.096
  127   1HB   ASN  17          1HB       ASN  17 -10.481  35.106  17.668
  128   2HB   ASN  17          2HB       ASN  17 -12.080  35.847  17.714
  129   2HD2  ASN  17          2HD2      ASN  17  -9.136  36.228  19.080
  130   1HD2  ASN  17          1HD2      ASN  17  -9.577  36.762  20.629
  131    H    GLY  18           H        GLY  18 -12.651  31.421  18.142
  132   1HA   GLY  18          1HA       GLY  18 -13.363  31.791  15.298
  133   2HA   GLY  18          2HA       GLY  18 -13.667  30.345  16.256
  134    H    LYS  19           H        LYS  19 -10.477  31.603  16.548
  135    HA   LYS  19           HA       LYS  19  -9.448  29.866  14.358
  136   1HB   LYS  19          1HB       LYS  19  -8.789  32.317  14.837
  137   2HB   LYS  19          2HB       LYS  19  -7.885  31.673  16.209
  138   1HG   LYS  19          1HG       LYS  19  -7.527  30.859  13.306
  139   2HG   LYS  19          2HG       LYS  19  -6.426  31.873  14.236
  140   1HD   LYS  19          1HD       LYS  19  -6.246  29.923  15.884
  141   2HD   LYS  19          2HD       LYS  19  -7.059  28.944  14.662
  142   1HE   LYS  19          1HE       LYS  19  -4.752  30.561  13.698
  143   2HE   LYS  19          2HE       LYS  19  -4.365  29.193  14.759
  144   1HZ   LYS  19          1HZ       LYS  19  -5.870  27.823  13.374
  145   2HZ   LYS  19          2HZ       LYS  19  -6.045  29.131  12.302
  146   3HZ   LYS  19          3HZ       LYS  19  -4.528  28.400  12.506
  147    H    LEU  20           H        LEU  20  -9.075  27.765  14.979
  148    HA   LEU  20           HA       LEU  20  -8.319  27.179  17.794
  149   1HB   LEU  20          1HB       LEU  20 -10.132  26.008  16.347
  150   2HB   LEU  20          2HB       LEU  20  -8.776  25.216  15.545
  151    HG   LEU  20           HG       LEU  20  -9.396  25.137  18.514
  152   1HD1  LEU  20          1HD1      LEU  20 -10.042  23.422  16.218
  153   2HD1  LEU  20          2HD1      LEU  20  -9.264  22.555  17.543
  154   3HD1  LEU  20          3HD1      LEU  20 -10.755  23.454  17.830
  155   1HD2  LEU  20          1HD2      LEU  20  -7.067  24.158  16.869
  156   2HD2  LEU  20          2HD2      LEU  20  -7.042  25.074  18.377
  157   3HD2  LEU  20          3HD2      LEU  20  -7.500  23.370  18.386
  158    H    PHE  21           H        PHE  21  -6.176  26.911  18.289
  159    HA   PHE  21           HA       PHE  21  -4.261  26.411  16.047
  160   1HB   PHE  21          1HB       PHE  21  -2.625  27.085  17.992
  161   2HB   PHE  21          2HB       PHE  21  -3.584  28.331  17.201
  162    HD1  PHE  21           HD1      PHE  21  -3.312  26.196  20.222
  163    HD2  PHE  21           HD2      PHE  21  -5.330  29.499  18.362
  164    HE1  PHE  21           HE1      PHE  21  -4.339  26.794  22.398
  165    HE2  PHE  21           HE2      PHE  21  -6.355  30.098  20.539
  166    HZ   PHE  21           HZ       PHE  21  -5.859  28.747  22.557
  167    H    CYS  22           H        CYS  22  -5.093  24.102  16.166
  168    HA   CYS  22           HA       CYS  22  -4.865  22.309  18.274
  169   1HB   CYS  22          1HB       CYS  22  -5.204  22.257  15.513
  170   2HB   CYS  22          2HB       CYS  22  -3.763  21.273  15.772
  171    HA   PRO  23           HA       PRO  23  -0.184  21.600  17.172
  172   1HB   PRO  23          1HB       PRO  23   0.780  24.070  16.047
  173   2HB   PRO  23          2HB       PRO  23   0.745  22.469  15.301
  174   1HG   PRO  23          1HG       PRO  23  -0.886  24.735  14.664
  175   2HG   PRO  23          2HG       PRO  23  -0.957  23.121  13.953
  176   1HD   PRO  23          1HD       PRO  23  -2.835  24.363  15.769
  177   2HD   PRO  23          2HD       PRO  23  -2.950  22.762  15.002
  178    H    GLN  24           H        GLN  24  -0.570  21.951  19.521
  179    HA   GLN  24           HA       GLN  24   0.709  24.480  20.505
  180   1HB   GLN  24          1HB       GLN  24  -1.614  24.589  21.031
  181   2HB   GLN  24          2HB       GLN  24  -1.672  22.881  21.463
  182   1HG   GLN  24          1HG       GLN  24  -0.051  23.430  23.353
  183   2HG   GLN  24          2HG       GLN  24  -0.345  25.131  22.995
  184   2HE2  GLN  24          2HE2      GLN  24  -2.073  22.098  23.870
  185   1HE2  GLN  24          1HE2      GLN  24  -3.361  22.879  24.653
  186    H    ASP  25           H        ASP  25  -0.342  21.559  22.211
  187    HA   ASP  25           HA       ASP  25   2.525  20.900  22.782
  188   1HB   ASP  25          1HB       ASP  25   1.070  22.217  24.546
  189   2HB   ASP  25          2HB       ASP  25   0.359  20.632  24.850
  190    H    LYS  26           H        LYS  26   2.010  19.257  21.033
  191    HA   LYS  26           HA       LYS  26   0.019  17.213  21.430
  192   1HB   LYS  26          1HB       LYS  26   2.430  17.699  19.728
  193   2HB   LYS  26          2HB       LYS  26   1.769  16.065  19.775
  194   1HG   LYS  26          1HG       LYS  26  -0.375  16.816  19.007
  195   2HG   LYS  26          2HG       LYS  26   0.061  18.508  19.246
  196   1HD   LYS  26          1HD       LYS  26   2.013  17.915  17.562
  197   2HD   LYS  26          2HD       LYS  26   0.920  16.614  17.086
  198   1HE   LYS  26          1HE       LYS  26  -0.894  18.357  16.790
  199   2HE   LYS  26          2HE       LYS  26   0.348  19.597  17.043
  200   1HZ   LYS  26          1HZ       LYS  26   1.635  18.147  15.312
  201   2HZ   LYS  26          2HZ       LYS  26   0.081  17.642  14.859
  202   3HZ   LYS  26          3HZ       LYS  26   0.495  19.288  14.781
  203    H    LYS  27           H        LYS  27   2.788  17.825  23.225
  204    HA   LYS  27           HA       LYS  27   4.196  15.503  23.657
  205   1HB   LYS  27          1HB       LYS  27   2.966  17.431  25.649
  206   2HB   LYS  27          2HB       LYS  27   4.229  16.273  26.062
  207   1HG   LYS  27          1HG       LYS  27   4.499  18.334  23.859
  208   2HG   LYS  27          2HG       LYS  27   5.090  18.578  25.502
  209   1HD   LYS  27          1HD       LYS  27   6.515  16.575  25.289
  210   2HD   LYS  27          2HD       LYS  27   5.921  16.323  23.648
  211   1HE   LYS  27          1HE       LYS  27   6.779  18.678  23.117
  212   2HE   LYS  27          2HE       LYS  27   7.620  18.613  24.678
  213   1HZ   LYS  27          1HZ       LYS  27   7.796  16.415  22.696
  214   2HZ   LYS  27          2HZ       LYS  27   8.876  17.722  22.669
  215   3HZ   LYS  27          3HZ       LYS  27   8.806  16.710  24.031
  216    H    PHE  28           H        PHE  28   0.810  16.062  24.413
  217    HA   PHE  28           HA       PHE  28   0.217  14.061  26.279
  218   1HB   PHE  28          1HB       PHE  28  -1.356  14.774  23.783
  219   2HB   PHE  28          2HB       PHE  28  -2.012  14.166  25.302
  220    HD1  PHE  28           HD1      PHE  28  -0.827  15.628  27.404
  221    HD2  PHE  28           HD2      PHE  28  -1.843  17.032  23.473
  222    HE1  PHE  28           HE1      PHE  28  -0.980  17.947  28.271
  223    HE2  PHE  28           HE2      PHE  28  -1.998  19.349  24.341
  224    HZ   PHE  28           HZ       PHE  28  -1.565  19.808  26.739
  225    H    PHE  29           H        PHE  29   1.279  13.704  22.985
  226    HA   PHE  29           HA       PHE  29   0.279  11.154  22.282
  227   1HB   PHE  29          1HB       PHE  29   1.481  12.665  20.778
  228   2HB   PHE  29          2HB       PHE  29   2.941  12.516  21.752
  229    HD1  PHE  29           HD1      PHE  29   3.859  10.085  22.091
  230    HD2  PHE  29           HD2      PHE  29   1.155  11.225  18.955
  231    HE1  PHE  29           HE1      PHE  29   4.536   8.092  20.781
  232    HE2  PHE  29           HE2      PHE  29   1.830   9.231  17.646
  233    HZ   PHE  29           HZ       PHE  29   3.522   7.664  18.559
  234    H    GLN  30           H        GLN  30   2.518  12.023  24.757
  235    HA   GLN  30           HA       GLN  30   4.109   9.639  24.896
  236   1HB   GLN  30          1HB       GLN  30   3.230  11.656  26.986
  237   2HB   GLN  30          2HB       GLN  30   4.540  10.496  27.205
  238   1HG   GLN  30          1HG       GLN  30   4.886  11.901  24.706
  239   2HG   GLN  30          2HG       GLN  30   4.705  13.060  26.023
  240   2HE2  GLN  30          2HE2      GLN  30   6.997  11.188  24.420
  241   1HE2  GLN  30          1HE2      GLN  30   8.183  11.129  25.633
  242    H    SER  31           H        SER  31   0.780  10.042  25.441
  243    HA   SER  31           HA       SER  31   0.680   7.411  26.836
  244   1HB   SER  31          1HB       SER  31  -1.017   8.508  28.424
  245   2HB   SER  31          2HB       SER  31   0.674   8.950  28.659
  246    HG   SER  31           HG       SER  31  -1.013  10.685  28.516
  247    H    LEU  32           H        LEU  32  -1.600   6.549  26.851
  248    HA   LEU  32           HA       LEU  32  -2.843   6.776  24.272
  249   1HB   LEU  32          1HB       LEU  32  -2.816   4.932  26.172
  250   2HB   LEU  32          2HB       LEU  32  -4.268   5.775  26.712
  251    HG   LEU  32           HG       LEU  32  -3.916   4.920  23.837
  252   1HD1  LEU  32          1HD1      LEU  32  -4.746   3.317  26.234
  253   2HD1  LEU  32          2HD1      LEU  32  -5.547   3.023  24.691
  254   3HD1  LEU  32          3HD1      LEU  32  -3.802   2.817  24.831
  255   1HD2  LEU  32          1HD2      LEU  32  -6.295   5.582  25.598
  256   2HD2  LEU  32          2HD2      LEU  32  -5.669   6.554  24.266
  257   3HD2  LEU  32          3HD2      LEU  32  -6.420   4.991  23.941
  258    H    ASP  33           H        ASP  33  -4.028   7.782  27.494
  259    HA   ASP  33           HA       ASP  33  -6.356   9.143  26.632
  260   1HB   ASP  33          1HB       ASP  33  -5.631   8.538  28.981
  261   2HB   ASP  33          2HB       ASP  33  -4.498   9.889  28.916
  262    H    GLY  34           H        GLY  34  -3.010  10.288  27.006
  263   1HA   GLY  34          1HA       GLY  34  -2.008  12.304  26.301
  264   2HA   GLY  34          2HA       GLY  34  -3.625  12.998  26.157
  265    H    ILE  35           H        ILE  35  -2.636  10.003  24.613
  266    HA   ILE  35           HA       ILE  35  -1.959  11.082  22.037
  267    HB   ILE  35           HB       ILE  35  -2.648   8.456  23.280
  268   1HG1  ILE  35          1HG1      ILE  35  -0.333   9.523  23.082
  269   2HG1  ILE  35          2HG1      ILE  35  -0.471   7.861  22.509
  270   1HG2  ILE  35          1HG2      ILE  35  -2.963   9.085  20.364
  271   2HG2  ILE  35          2HG2      ILE  35  -2.288   7.523  20.828
  272   3HG2  ILE  35          3HG2      ILE  35  -3.900   7.985  21.375
  273   1HD1  ILE  35          1HD1      ILE  35  -0.803   8.736  20.190
  274   2HD1  ILE  35          2HD1      ILE  35  -0.527  10.367  20.799
  275   3HD1  ILE  35          3HD1      ILE  35   0.767   9.170  20.865
  276    H    MET  36           H        MET  36  -5.006   9.992  23.497
  277    HA   MET  36           HA       MET  36  -6.712   9.875  21.294
  278   1HB   MET  36          1HB       MET  36  -6.962  10.802  24.137
  279   2HB   MET  36          2HB       MET  36  -8.343  10.978  23.054
  280   1HG   MET  36          1HG       MET  36  -6.843   8.382  23.516
  281   2HG   MET  36          2HG       MET  36  -8.360   8.810  24.307
  282   1HE   MET  36          1HE       MET  36 -10.072  10.017  22.992
  283   2HE   MET  36          2HE       MET  36 -10.727   9.479  21.447
  284   3HE   MET  36          3HE       MET  36 -10.901   8.458  22.872
  285    H    PHE  37           H        PHE  37  -5.899  12.839  23.161
  286    HA   PHE  37           HA       PHE  37  -7.375  14.727  21.763
  287   1HB   PHE  37          1HB       PHE  37  -6.187  15.989  23.211
  288   2HB   PHE  37          2HB       PHE  37  -5.134  14.613  23.527
  289    HD1  PHE  37           HD1      PHE  37  -3.083  14.273  22.107
  290    HD2  PHE  37           HD2      PHE  37  -5.449  17.846  21.917
  291    HE1  PHE  37           HE1      PHE  37  -1.217  15.444  20.981
  292    HE2  PHE  37           HE2      PHE  37  -3.584  19.018  20.780
  293    HZ   PHE  37           HZ       PHE  37  -1.473  17.808  20.310
  294    H    ILE  38           H        ILE  38  -4.145  13.478  20.797
  295    HA   ILE  38           HA       ILE  38  -3.770  14.939  18.428
  296    HB   ILE  38           HB       ILE  38  -3.151  12.065  19.169
  297   1HG1  ILE  38          1HG1      ILE  38  -1.567  14.647  19.239
  298   2HG1  ILE  38          2HG1      ILE  38  -2.072  13.671  20.618
  299   1HG2  ILE  38          1HG2      ILE  38  -3.036  13.232  16.607
  300   2HG2  ILE  38          2HG2      ILE  38  -1.376  13.245  17.205
  301   3HG2  ILE  38          3HG2      ILE  38  -2.272  11.727  17.122
  302   1HD1  ILE  38          1HD1      ILE  38  -0.594  12.086  18.673
  303   2HD1  ILE  38          2HD1      ILE  38   0.354  13.457  19.248
  304   3HD1  ILE  38          3HD1      ILE  38  -0.303  12.292  20.399
  305    H    ASN  39           H        ASN  39  -5.615  11.936  18.930
  306    HA   ASN  39           HA       ASN  39  -6.381  11.567  16.181
  307   1HB   ASN  39          1HB       ASN  39  -7.583  10.710  18.833
  308   2HB   ASN  39          2HB       ASN  39  -8.122  10.091  17.272
  309   2HD2  ASN  39          2HD2      ASN  39  -6.482   8.898  19.692
  310   1HD2  ASN  39          1HD2      ASN  39  -5.188   8.122  18.915
  311    H    LYS  40           H        LYS  40  -7.648  13.547  18.789
  312    HA   LYS  40           HA       LYS  40 -10.095  14.205  17.233
  313   1HB   LYS  40          1HB       LYS  40 -10.189  13.678  19.655
  314   2HB   LYS  40          2HB       LYS  40  -9.111  15.032  19.983
  315   1HG   LYS  40          1HG       LYS  40 -10.786  16.565  18.939
  316   2HG   LYS  40          2HG       LYS  40 -11.876  15.192  18.745
  317   1HD   LYS  40          1HD       LYS  40 -10.726  16.047  21.414
  318   2HD   LYS  40          2HD       LYS  40 -12.300  16.575  20.819
  319   1HE   LYS  40          1HE       LYS  40 -13.047  14.224  20.677
  320   2HE   LYS  40          2HE       LYS  40 -11.460  13.683  21.252
  321   1HZ   LYS  40          1HZ       LYS  40 -13.243  15.580  22.696
  322   2HZ   LYS  40          2HZ       LYS  40 -13.088  13.930  23.072
  323   3HZ   LYS  40          3HZ       LYS  40 -11.761  14.975  23.254
  324    H    CYS  41           H        CYS  41  -6.949  15.493  18.004
  325    HA   CYS  41           HA       CYS  41  -7.326  18.277  17.786
  326   1HB   CYS  41          1HB       CYS  41  -5.201  17.373  18.383
  327   2HB   CYS  41          2HB       CYS  41  -5.135  16.371  16.937
  328    H    ALA  42           H        ALA  42  -5.947  16.436  15.076
  329    HA   ALA  42           HA       ALA  42  -6.667  18.287  13.054
  330   1HB   ALA  42          1HB       ALA  42  -6.378  15.280  12.795
  331   2HB   ALA  42          2HB       ALA  42  -6.026  16.492  11.563
  332   3HB   ALA  42          3HB       ALA  42  -5.009  16.372  12.999
  333    H    THR  43           H        THR  43  -8.503  15.635  14.492
  334    HA   THR  43           HA       THR  43 -10.620  15.682  12.474
  335    HB   THR  43           HB       THR  43 -10.440  14.506  15.270
  336    HG1  THR  43           HG1      THR  43  -9.748  13.616  12.692
  337   1HG2  THR  43          1HG2      THR  43 -12.729  14.863  13.898
  338   2HG2  THR  43          2HG2      THR  43 -12.191  13.353  13.161
  339   3HG2  THR  43          3HG2      THR  43 -12.438  13.445  14.905
  340    H    CYS  44           H        CYS  44  -9.858  17.507  15.309
  341    HA   CYS  44           HA       CYS  44 -12.655  18.392  15.737
  342   1HB   CYS  44          1HB       CYS  44 -11.338  17.962  17.695
  343   2HB   CYS  44          2HB       CYS  44  -9.980  18.893  17.066
  344    H    LYS  45           H        LYS  45  -9.483  19.925  15.027
  345    HA   LYS  45           HA       LYS  45 -10.361  22.551  14.544
  346   1HB   LYS  45          1HB       LYS  45  -8.317  22.684  13.150
  347   2HB   LYS  45          2HB       LYS  45  -8.014  21.770  14.627
  348   1HG   LYS  45          1HG       LYS  45  -7.497  19.916  13.453
  349   2HG   LYS  45          2HG       LYS  45  -8.986  20.031  12.517
  350   1HD   LYS  45          1HD       LYS  45  -7.367  20.302  10.859
  351   2HD   LYS  45          2HD       LYS  45  -7.734  21.975  11.278
  352   1HE   LYS  45          1HE       LYS  45  -5.726  22.255  12.458
  353   2HE   LYS  45          2HE       LYS  45  -5.545  20.514  12.751
  354   1HZ   LYS  45          1HZ       LYS  45  -5.594  21.619  10.006
  355   2HZ   LYS  45          2HZ       LYS  45  -4.146  21.562  10.893
  356   3HZ   LYS  45          3HZ       LYS  45  -4.982  20.128  10.534
  357    H    MET  46           H        MET  46 -10.790  19.676  12.613
  358    HA   MET  46           HA       MET  46 -11.482  21.078  10.150
  359   1HB   MET  46          1HB       MET  46 -12.029  18.809   9.401
  360   2HB   MET  46          2HB       MET  46 -10.515  18.780  10.300
  361   1HG   MET  46          1HG       MET  46 -11.383  17.347  11.799
  362   2HG   MET  46          2HG       MET  46 -12.723  18.442  12.122
  363   1HE   MET  46          1HE       MET  46 -14.673  18.777  10.502
  364   2HE   MET  46          2HE       MET  46 -13.828  18.612   8.966
  365   3HE   MET  46          3HE       MET  46 -15.245  17.612   9.312
  366    H    ILE  47           H        ILE  47 -13.153  20.010  13.027
  367    HA   ILE  47           HA       ILE  47 -15.837  19.930  12.022
  368    HB   ILE  47           HB       ILE  47 -14.817  20.746  14.765
  369   1HG1  ILE  47          1HG1      ILE  47 -13.730  18.682  14.205
  370   2HG1  ILE  47          2HG1      ILE  47 -15.095  18.262  15.239
  371   1HG2  ILE  47          1HG2      ILE  47 -17.271  21.046  14.267
  372   2HG2  ILE  47          2HG2      ILE  47 -17.364  19.312  13.959
  373   3HG2  ILE  47          3HG2      ILE  47 -16.940  19.902  15.567
  374   1HD1  ILE  47          1HD1      ILE  47 -15.158  18.201  12.208
  375   2HD1  ILE  47          2HD1      ILE  47 -14.910  16.785  13.228
  376   3HD1  ILE  47          3HD1      ILE  47 -16.438  17.663  13.294
  377    H    LEU  48           H        LEU  48 -13.755  22.547  13.161
  378    HA   LEU  48           HA       LEU  48 -15.779  24.602  13.259
  379   1HB   LEU  48          1HB       LEU  48 -12.769  24.656  12.865
  380   2HB   LEU  48          2HB       LEU  48 -13.751  26.065  13.267
  381    HG   LEU  48           HG       LEU  48 -14.359  23.875  15.057
  382   1HD1  LEU  48          1HD1      LEU  48 -11.461  24.639  14.683
  383   2HD1  LEU  48          2HD1      LEU  48 -12.066  24.050  16.232
  384   3HD1  LEU  48          3HD1      LEU  48 -12.162  23.024  14.800
  385   1HD2  LEU  48          1HD2      LEU  48 -14.667  26.429  15.264
  386   2HD2  LEU  48          2HD2      LEU  48 -14.113  25.564  16.698
  387   3HD2  LEU  48          3HD2      LEU  48 -12.962  26.468  15.714
  388    H    GLU  49           H        GLU  49 -13.525  23.461  10.750
  389    HA   GLU  49           HA       GLU  49 -13.794  25.389   8.763
  390   1HB   GLU  49          1HB       GLU  49 -13.848  22.358   8.590
  391   2HB   GLU  49          2HB       GLU  49 -13.567  23.412   7.204
  392   1HG   GLU  49          1HG       GLU  49 -11.900  23.700   9.696
  393   2HG   GLU  49          2HG       GLU  49 -11.505  22.467   8.499
  394    H    LYS  50           H        LYS  50 -16.222  23.185   9.979
  395    HA   LYS  50           HA       LYS  50 -18.091  23.492   7.765
  396   1HB   LYS  50          1HB       LYS  50 -18.575  22.650  10.640
  397   2HB   LYS  50          2HB       LYS  50 -19.551  22.227   9.233
  398   1HG   LYS  50          1HG       LYS  50 -16.634  21.515   9.249
  399   2HG   LYS  50          2HG       LYS  50 -17.763  20.519  10.165
  400   1HD   LYS  50          1HD       LYS  50 -19.160  20.651   7.902
  401   2HD   LYS  50          2HD       LYS  50 -17.564  20.939   7.210
  402   1HE   LYS  50          1HE       LYS  50 -16.721  18.852   8.101
  403   2HE   LYS  50          2HE       LYS  50 -18.200  18.604   9.050
  404   1HZ   LYS  50          1HZ       LYS  50 -18.347  19.050   6.135
  405   2HZ   LYS  50          2HZ       LYS  50 -18.006  17.497   6.735
  406   3HZ   LYS  50          3HZ       LYS  50 -19.460  18.271   7.150
  407    H    GLU  51           H        GLU  51 -17.516  25.121  10.861
  408    HA   GLU  51           HA       GLU  51 -19.957  26.590  11.045
  409   1HB   GLU  51          1HB       GLU  51 -18.292  26.340  12.842
  410   2HB   GLU  51          2HB       GLU  51 -17.123  27.266  11.900
  411   1HG   GLU  51          1HG       GLU  51 -18.750  29.189  11.912
  412   2HG   GLU  51          2HG       GLU  51 -19.759  28.260  13.021
  413    H    ALA  52           H        ALA  52 -17.090  27.061   9.075
  414    HA   ALA  52           HA       ALA  52 -17.721  29.826   8.351
  415   1HB   ALA  52          1HB       ALA  52 -15.768  27.692   7.491
  416   2HB   ALA  52          2HB       ALA  52 -15.882  29.215   6.609
  417   3HB   ALA  52          3HB       ALA  52 -15.437  29.217   8.315
  418    H    LYS  53           H        LYS  53 -18.152  30.409   6.029
  419    HA   LYS  53           HA       LYS  53 -20.287  28.707   4.922
  420   1HB   LYS  53          1HB       LYS  53 -19.080  31.368   4.097
  421   2HB   LYS  53          2HB       LYS  53 -20.545  30.668   3.408
  422   1HG   LYS  53          1HG       LYS  53 -21.571  30.656   5.678
  423   2HG   LYS  53          2HG       LYS  53 -20.123  31.438   6.313
  424   1HD   LYS  53          1HD       LYS  53 -20.496  33.323   4.710
  425   2HD   LYS  53          2HD       LYS  53 -22.004  32.557   4.211
  426   1HE   LYS  53          1HE       LYS  53 -21.426  33.241   7.109
  427   2HE   LYS  53          2HE       LYS  53 -22.246  34.364   6.007
  428   1HZ   LYS  53          1HZ       LYS  53 -23.763  32.481   5.439
  429   2HZ   LYS  53          2HZ       LYS  53 -23.072  31.596   6.713
  430   3HZ   LYS  53          3HZ       LYS  53 -23.916  33.030   7.039
  431    H    SER  54           H        SER  54 -16.922  28.966   4.533
  432    HA   SER  54           HA       SER  54 -16.684  28.521   1.687
  433   1HB   SER  54          1HB       SER  54 -14.360  27.934   2.334
  434   2HB   SER  54          2HB       SER  54 -14.900  29.402   3.148
  435    HG   SER  54           HG       SER  54 -14.549  26.813   4.171
  436    H    GLN  55           H        GLN  55 -17.542  26.480   4.348
  437    HA   GLN  55           HA       GLN  55 -18.032  24.208   2.605
  438   1HB   GLN  55          1HB       GLN  55 -15.531  24.240   2.846
  439   2HB   GLN  55          2HB       GLN  55 -15.738  24.037   4.587
  440   1HG   GLN  55          1HG       GLN  55 -16.778  21.891   4.295
  441   2HG   GLN  55          2HG       GLN  55 -16.910  22.124   2.552
  442   2HE2  GLN  55          2HE2      GLN  55 -15.110  20.460   4.770
  443   1HE2  GLN  55          1HE2      GLN  55 -13.634  20.364   3.936

  No H/Q in entry =         443
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1 -28.108  24.802  18.325
    2    H2   LYS   1           H2       LYS   1 -29.416  25.281  19.298
    3    H3   LYS   1           H3       LYS   1 -28.353  26.445  18.665
    4    HA   LYS   1           HA       LYS   1 -26.593  25.775  20.078
    5   1HB   LYS   1          1HB       LYS   1 -28.544  27.142  20.944
    6   2HB   LYS   1          2HB       LYS   1 -29.197  25.653  21.629
    7   1HG   LYS   1          1HG       LYS   1 -27.184  25.358  22.987
    8   2HG   LYS   1          2HG       LYS   1 -26.448  26.781  22.249
    9   1HD   LYS   1          1HD       LYS   1 -28.341  28.159  23.132
   10   2HD   LYS   1          2HD       LYS   1 -28.952  26.727  23.961
   11   1HE   LYS   1          1HE       LYS   1 -26.834  26.554  25.233
   12   2HE   LYS   1          2HE       LYS   1 -26.224  27.999  24.402
   13   1HZ   LYS   1          1HZ       LYS   1 -28.580  28.895  25.166
   14   2HZ   LYS   1          2HZ       LYS   1 -28.353  27.753  26.398
   15   3HZ   LYS   1          3HZ       LYS   1 -27.219  28.998  26.177
   16    H    ASN   2           H        ASN   2 -25.979  23.556  19.392
   17    HA   ASN   2           HA       ASN   2 -26.556  21.580  21.501
   18   1HB   ASN   2          1HB       ASN   2 -27.388  19.927  19.813
   19   2HB   ASN   2          2HB       ASN   2 -28.452  21.324  19.978
   20   2HD2  ASN   2          2HD2      ASN   2 -29.038  20.458  17.651
   21   1HD2  ASN   2          1HD2      ASN   2 -28.143  21.115  16.367
   22    H    GLU   3           H        GLU   3 -25.401  19.383  20.678
   23    HA   GLU   3           HA       GLU   3 -22.608  20.078  20.236
   24   1HB   GLU   3          1HB       GLU   3 -24.153  17.471  20.387
   25   2HB   GLU   3          2HB       GLU   3 -22.393  17.570  20.340
   26   1HG   GLU   3          1HG       GLU   3 -22.643  17.592  22.622
   27   2HG   GLU   3          2HG       GLU   3 -22.874  19.317  22.339
   28    H    ASP   4           H        ASP   4 -25.158  19.853  18.107
   29    HA   ASP   4           HA       ASP   4 -23.949  18.345  15.938
   30   1HB   ASP   4          1HB       ASP   4 -26.260  20.235  16.327
   31   2HB   ASP   4          2HB       ASP   4 -25.811  19.724  14.699
   32    H    GLN   5           H        GLN   5 -23.089  21.266  17.296
   33    HA   GLN   5           HA       GLN   5 -21.993  22.285  14.694
   34   1HB   GLN   5          1HB       GLN   5 -22.749  23.850  17.182
   35   2HB   GLN   5          2HB       GLN   5 -22.324  24.514  15.604
   36   1HG   GLN   5          1HG       GLN   5 -24.322  23.667  14.604
   37   2HG   GLN   5          2HG       GLN   5 -24.666  22.640  15.996
   38   2HE2  GLN   5          2HE2      GLN   5 -24.330  24.407  18.138
   39   1HE2  GLN   5          1HE2      GLN   5 -25.444  25.681  18.017
   40    H    GLU   6           H        GLU   6 -21.439  21.681  18.119
   41    HA   GLU   6           HA       GLU   6 -18.500  22.070  17.655
   42   1HB   GLU   6          1HB       GLU   6 -20.301  22.888  19.947
   43   2HB   GLU   6          2HB       GLU   6 -18.546  22.817  20.112
   44   1HG   GLU   6          1HG       GLU   6 -18.384  24.342  18.104
   45   2HG   GLU   6          2HG       GLU   6 -20.135  24.534  18.188
   46    H    MET   7           H        MET   7 -19.613  19.567  17.293
   47    HA   MET   7           HA       MET   7 -20.092  17.799  19.343
   48   1HB   MET   7          1HB       MET   7 -18.207  17.489  16.984
   49   2HB   MET   7          2HB       MET   7 -18.890  16.145  17.901
   50   1HG   MET   7          1HG       MET   7 -21.185  17.060  17.348
   51   2HG   MET   7          2HG       MET   7 -20.395  18.200  16.259
   52   1HE   MET   7          1HE       MET   7 -18.163  16.987  14.889
   53   2HE   MET   7          2HE       MET   7 -18.859  16.156  13.500
   54   3HE   MET   7          3HE       MET   7 -19.501  17.723  14.011
   55    H    CYS   8           H        CYS   8 -16.942  19.217  18.510
   56    HA   CYS   8           HA       CYS   8 -15.609  17.691  20.679
   57   1HB   CYS   8          1HB       CYS   8 -14.654  18.038  18.367
   58   2HB   CYS   8          2HB       CYS   8 -14.527  19.758  18.739
   59    H    HIS   9           H        HIS   9 -15.740  18.573  22.707
   60    HA   HIS   9           HA       HIS   9 -15.881  21.554  22.962
   61   1HB   HIS   9          1HB       HIS   9 -16.678  19.268  24.794
   62   2HB   HIS   9          2HB       HIS   9 -16.840  20.975  25.206
   63    HD1  HIS   9           HD1      HIS   9 -18.386  18.267  23.177
   64    HD2  HIS   9           HD2      HIS   9 -18.815  22.388  23.631
   65    HE1  HIS   9           HE1      HIS   9 -20.566  18.889  22.047
   66    H    GLU  10           H        GLU  10 -13.826  18.859  23.427
   67    HA   GLU  10           HA       GLU  10 -12.349  19.794  25.742
   68   1HB   GLU  10          1HB       GLU  10 -12.499  17.444  24.836
   69   2HB   GLU  10          2HB       GLU  10 -11.494  17.961  23.481
   70   1HG   GLU  10          1HG       GLU  10  -9.871  18.823  25.343
   71   2HG   GLU  10          2HG       GLU  10 -10.764  17.722  26.392
   72    H    PHE  11           H        PHE  11 -11.784  19.971  22.211
   73    HA   PHE  11           HA       PHE  11  -9.355  21.586  22.567
   74   1HB   PHE  11          1HB       PHE  11 -11.005  20.545  20.274
   75   2HB   PHE  11          2HB       PHE  11  -9.685  21.674  19.991
   76    HD1  PHE  11           HD1      PHE  11 -10.517  18.349  21.460
   77    HD2  PHE  11           HD2      PHE  11  -7.417  20.970  20.057
   78    HE1  PHE  11           HE1      PHE  11  -8.884  16.490  21.595
   79    HE2  PHE  11           HE2      PHE  11  -5.784  19.110  20.194
   80    HZ   PHE  11           HZ       PHE  11  -6.518  16.871  20.963
   81    H    GLN  12           H        GLN  12 -12.755  22.191  22.297
   82    HA   GLN  12           HA       GLN  12 -12.955  24.626  20.945
   83   1HB   GLN  12          1HB       GLN  12 -14.803  23.352  22.018
   84   2HB   GLN  12          2HB       GLN  12 -14.211  23.853  23.602
   85   1HG   GLN  12          1HG       GLN  12 -14.472  26.252  22.835
   86   2HG   GLN  12          2HG       GLN  12 -15.285  25.635  21.398
   87   2HE2  GLN  12          2HE2      GLN  12 -17.517  25.716  21.643
   88   1HE2  GLN  12          1HE2      GLN  12 -18.354  25.450  23.096
   89    H    ALA  13           H        ALA  13 -11.734  24.029  24.229
   90    HA   ALA  13           HA       ALA  13 -11.409  26.762  25.019
   91   1HB   ALA  13          1HB       ALA  13 -10.347  25.795  26.850
   92   2HB   ALA  13          2HB       ALA  13  -9.503  24.606  25.858
   93   3HB   ALA  13          3HB       ALA  13 -11.214  24.391  26.228
   94    H    PHE  14           H        PHE  14  -9.661  24.746  22.794
   95    HA   PHE  14           HA       PHE  14  -7.220  26.401  22.876
   96   1HB   PHE  14          1HB       PHE  14  -8.087  24.140  21.049
   97   2HB   PHE  14          2HB       PHE  14  -6.447  24.744  21.255
   98    HD1  PHE  14           HD1      PHE  14  -7.126  25.215  24.387
   99    HD2  PHE  14           HD2      PHE  14  -7.214  21.868  21.695
  100    HE1  PHE  14           HE1      PHE  14  -6.799  23.671  26.298
  101    HE2  PHE  14           HE2      PHE  14  -6.888  20.324  23.606
  102    HZ   PHE  14           HZ       PHE  14  -6.680  21.224  25.908
  103    H    MET  15           H        MET  15 -10.108  27.221  21.805
  104    HA   MET  15           HA       MET  15  -9.330  28.015  19.051
  105   1HB   MET  15          1HB       MET  15 -11.680  28.320  18.753
  106   2HB   MET  15          2HB       MET  15 -11.512  26.860  19.717
  107   1HG   MET  15          1HG       MET  15 -11.734  28.451  21.760
  108   2HG   MET  15          2HG       MET  15 -12.371  29.610  20.597
  109   1HE   MET  15          1HE       MET  15 -13.991  29.751  22.165
  110   2HE   MET  15          2HE       MET  15 -15.570  29.260  21.540
  111   3HE   MET  15          3HE       MET  15 -14.868  28.425  22.924
  112    H    LYS  16           H        LYS  16  -8.237  29.942  18.984
  113    HA   LYS  16           HA       LYS  16  -8.770  32.045  21.001
  114   1HB   LYS  16          1HB       LYS  16  -6.480  31.246  20.159
  115   2HB   LYS  16          2HB       LYS  16  -6.862  32.073  18.649
  116   1HG   LYS  16          1HG       LYS  16  -7.487  33.954  20.605
  117   2HG   LYS  16          2HG       LYS  16  -6.015  33.194  21.211
  118   1HD   LYS  16          1HD       LYS  16  -5.054  33.520  18.860
  119   2HD   LYS  16          2HD       LYS  16  -6.437  34.569  18.549
  120   1HE   LYS  16          1HE       LYS  16  -5.736  36.169  20.134
  121   2HE   LYS  16          2HE       LYS  16  -4.706  35.004  20.988
  122   1HZ   LYS  16          1HZ       LYS  16  -4.178  35.443  18.146
  123   2HZ   LYS  16          2HZ       LYS  16  -3.735  36.695  19.200
  124   3HZ   LYS  16          3HZ       LYS  16  -3.088  35.138  19.414
  125    H    ASN  17           H        ASN  17 -10.898  32.731  20.310
  126    HA   ASN  17           HA       ASN  17 -12.389  34.068  19.063
  127   1HB   ASN  17          1HB       ASN  17  -9.737  35.017  17.925
  128   2HB   ASN  17          2HB       ASN  17 -11.268  35.882  17.803
  129   2HD2  ASN  17          2HD2      ASN  17  -8.481  36.012  19.505
  130   1HD2  ASN  17          1HD2      ASN  17  -9.057  36.566  21.002
  131    H    GLY  18           H        GLY  18 -12.261  31.528  18.074
  132   1HA   GLY  18          1HA       GLY  18 -12.683  31.981  15.197
  133   2HA   GLY  18          2HA       GLY  18 -13.084  30.511  16.083
  134    H    LYS  19           H        LYS  19  -9.931  31.655  16.735
  135    HA   LYS  19           HA       LYS  19  -8.697  30.068  14.544
  136   1HB   LYS  19          1HB       LYS  19  -8.040  32.440  15.390
  137   2HB   LYS  19          2HB       LYS  19  -7.282  31.585  16.734
  138   1HG   LYS  19          1HG       LYS  19  -6.729  30.938  13.826
  139   2HG   LYS  19          2HG       LYS  19  -5.742  32.050  14.774
  140   1HD   LYS  19          1HD       LYS  19  -5.408  30.192  16.451
  141   2HD   LYS  19          2HD       LYS  19  -6.215  29.104  15.321
  142   1HE   LYS  19          1HE       LYS  19  -4.056  30.722  14.107
  143   2HE   LYS  19          2HE       LYS  19  -3.510  29.554  15.325
  144   1HZ   LYS  19          1HZ       LYS  19  -5.237  28.032  14.124
  145   2HZ   LYS  19          2HZ       LYS  19  -4.984  29.086  12.820
  146   3HZ   LYS  19          3HZ       LYS  19  -3.679  28.218  13.473
  147    H    LEU  20           H        LEU  20  -8.711  27.889  15.059
  148    HA   LEU  20           HA       LEU  20  -8.306  26.972  17.829
  149   1HB   LEU  20          1HB       LEU  20  -9.806  26.050  15.868
  150   2HB   LEU  20          2HB       LEU  20  -8.320  25.245  15.366
  151    HG   LEU  20           HG       LEU  20  -9.701  24.988  18.053
  152   1HD1  LEU  20          1HD1      LEU  20 -10.383  23.717  15.806
  153   2HD1  LEU  20          2HD1      LEU  20  -9.017  22.698  16.259
  154   3HD1  LEU  20          3HD1      LEU  20 -10.379  22.890  17.363
  155   1HD2  LEU  20          1HD2      LEU  20  -7.027  23.994  17.045
  156   2HD2  LEU  20          2HD2      LEU  20  -7.353  24.940  18.497
  157   3HD2  LEU  20          3HD2      LEU  20  -7.856  23.251  18.413
  158    H    PHE  21           H        PHE  21  -6.212  26.897  18.604
  159    HA   PHE  21           HA       PHE  21  -4.004  26.384  16.666
  160   1HB   PHE  21          1HB       PHE  21  -2.614  27.161  18.663
  161   2HB   PHE  21          2HB       PHE  21  -3.698  28.365  17.976
  162    HD1  PHE  21           HD1      PHE  21  -3.092  26.119  20.838
  163    HD2  PHE  21           HD2      PHE  21  -5.685  29.114  19.174
  164    HE1  PHE  21           HE1      PHE  21  -4.173  26.411  23.048
  165    HE2  PHE  21           HE2      PHE  21  -6.765  29.405  21.387
  166    HZ   PHE  21           HZ       PHE  21  -6.009  28.055  23.324
  167    H    CYS  22           H        CYS  22  -5.113  24.077  16.827
  168    HA   CYS  22           HA       CYS  22  -4.918  22.372  19.031
  169   1HB   CYS  22          1HB       CYS  22  -5.567  22.167  16.400
  170   2HB   CYS  22          2HB       CYS  22  -4.042  21.282  16.416
  171    HA   PRO  23           HA       PRO  23  -0.348  21.363  17.759
  172   1HB   PRO  23          1HB       PRO  23   0.705  23.697  16.448
  173   2HB   PRO  23          2HB       PRO  23   0.523  22.068  15.794
  174   1HG   PRO  23          1HG       PRO  23  -0.970  24.393  15.089
  175   2HG   PRO  23          2HG       PRO  23  -1.226  22.741  14.520
  176   1HD   PRO  23          1HD       PRO  23  -2.833  24.286  16.394
  177   2HD   PRO  23          2HD       PRO  23  -3.186  22.696  15.683
  178    H    GLN  24           H        GLN  24  -0.523  21.868  20.117
  179    HA   GLN  24           HA       GLN  24   0.951  24.385  20.819
  180   1HB   GLN  24          1HB       GLN  24  -0.501  24.619  22.722
  181   2HB   GLN  24          2HB       GLN  24  -1.542  24.303  21.335
  182   1HG   GLN  24          1HG       GLN  24  -0.896  21.761  22.280
  183   2HG   GLN  24          2HG       GLN  24  -1.135  22.709  23.747
  184   2HE2  GLN  24          2HE2      GLN  24  -2.766  21.044  21.237
  185   1HE2  GLN  24          1HE2      GLN  24  -4.330  21.631  21.545
  186    H    ASP  25           H        ASP  25   0.492  20.952  21.362
  187    HA   ASP  25           HA       ASP  25   3.134  20.542  22.383
  188   1HB   ASP  25          1HB       ASP  25   2.170  21.816  24.282
  189   2HB   ASP  25          2HB       ASP  25   0.880  20.622  24.420
  190    H    LYS  26           H        LYS  26   1.829  19.163  20.462
  191    HA   LYS  26           HA       LYS  26   0.158  16.996  21.152
  192   1HB   LYS  26          1HB       LYS  26   2.128  17.670  19.015
  193   2HB   LYS  26          2HB       LYS  26   1.564  16.001  19.096
  194   1HG   LYS  26          1HG       LYS  26  -0.757  16.734  18.952
  195   2HG   LYS  26          2HG       LYS  26  -0.260  18.425  19.015
  196   1HD   LYS  26          1HD       LYS  26   1.195  17.786  16.923
  197   2HD   LYS  26          2HD       LYS  26   0.069  16.437  16.784
  198   1HE   LYS  26          1HE       LYS  26  -1.792  17.875  16.463
  199   2HE   LYS  26          2HE       LYS  26  -0.918  19.282  17.097
  200   1HZ   LYS  26          1HZ       LYS  26   0.110  17.786  14.766
  201   2HZ   LYS  26          2HZ       LYS  26  -1.078  18.982  14.554
  202   3HZ   LYS  26          3HZ       LYS  26   0.430  19.388  15.224
  203    H    LYS  27           H        LYS  27   3.444  17.507  22.043
  204    HA   LYS  27           HA       LYS  27   4.706  15.061  22.110
  205   1HB   LYS  27          1HB       LYS  27   4.390  17.125  24.312
  206   2HB   LYS  27          2HB       LYS  27   5.636  15.880  24.296
  207   1HG   LYS  27          1HG       LYS  27   6.467  16.755  22.131
  208   2HG   LYS  27          2HG       LYS  27   5.241  18.021  22.185
  209   1HD   LYS  27          1HD       LYS  27   6.202  18.895  24.266
  210   2HD   LYS  27          2HD       LYS  27   7.397  17.598  24.277
  211   1HE   LYS  27          1HE       LYS  27   8.293  18.430  22.105
  212   2HE   LYS  27          2HE       LYS  27   7.126  19.767  22.161
  213   1HZ   LYS  27          1HZ       LYS  27   8.054  20.110  24.521
  214   2HZ   LYS  27          2HZ       LYS  27   9.377  19.190  23.989
  215   3HZ   LYS  27          3HZ       LYS  27   8.989  20.650  23.210
  216    H    PHE  28           H        PHE  28   1.815  15.969  23.886
  217    HA   PHE  28           HA       PHE  28   1.694  14.129  25.978
  218   1HB   PHE  28          1HB       PHE  28  -0.548  14.788  24.044
  219   2HB   PHE  28          2HB       PHE  28  -0.707  14.377  25.750
  220    HD1  PHE  28           HD1      PHE  28   1.482  15.946  26.965
  221    HD2  PHE  28           HD2      PHE  28  -1.305  17.013  23.877
  222    HE1  PHE  28           HE1      PHE  28   1.737  18.340  27.562
  223    HE2  PHE  28           HE2      PHE  28  -1.052  19.405  24.473
  224    HZ   PHE  28           HZ       PHE  28   0.470  20.070  26.313
  225    H    PHE  29           H        PHE  29   1.639  13.481  22.553
  226    HA   PHE  29           HA       PHE  29   0.297  11.123  22.165
  227   1HB   PHE  29          1HB       PHE  29   1.722  12.327  20.532
  228   2HB   PHE  29          2HB       PHE  29   3.159  11.727  21.360
  229    HD1  PHE  29           HD1      PHE  29   3.236   9.101  21.714
  230    HD2  PHE  29           HD2      PHE  29   0.865  11.100  18.743
  231    HE1  PHE  29           HE1      PHE  29   3.119   7.003  20.396
  232    HE2  PHE  29           HE2      PHE  29   0.747   9.003  17.425
  233    HZ   PHE  29           HZ       PHE  29   1.875   6.954  18.252
  234    H    GLN  30           H        GLN  30   3.131  11.538  24.201
  235    HA   GLN  30           HA       GLN  30   3.885   8.769  24.418
  236   1HB   GLN  30          1HB       GLN  30   5.249   9.587  26.225
  237   2HB   GLN  30          2HB       GLN  30   5.185  10.873  25.020
  238   1HG   GLN  30          1HG       GLN  30   3.284  11.894  26.310
  239   2HG   GLN  30          2HG       GLN  30   3.542  10.679  27.561
  240   2HE2  GLN  30          2HE2      GLN  30   4.409  13.811  26.650
  241   1HE2  GLN  30          1HE2      GLN  30   5.833  13.960  27.563
  242    H    SER  31           H        SER  31   1.057  10.302  25.435
  243    HA   SER  31           HA       SER  31   0.584   8.161  27.480
  244   1HB   SER  31          1HB       SER  31   1.083  10.312  28.558
  245   2HB   SER  31          2HB       SER  31  -0.153  11.105  27.582
  246    HG   SER  31           HG       SER  31  -0.578  10.167  29.873
  247    H    LEU  32           H        LEU  32  -1.575   7.358  27.514
  248    HA   LEU  32           HA       LEU  32  -3.046   7.136  25.169
  249   1HB   LEU  32          1HB       LEU  32  -3.349   5.892  27.320
  250   2HB   LEU  32          2HB       LEU  32  -4.143   7.317  27.988
  251    HG   LEU  32           HG       LEU  32  -5.950   7.159  26.431
  252   1HD1  LEU  32          1HD1      LEU  32  -4.204   5.118  25.029
  253   2HD1  LEU  32          2HD1      LEU  32  -5.911   5.350  24.651
  254   3HD1  LEU  32          3HD1      LEU  32  -4.764   6.666  24.396
  255   1HD2  LEU  32          1HD2      LEU  32  -5.953   5.506  28.317
  256   2HD2  LEU  32          2HD2      LEU  32  -6.859   4.954  26.908
  257   3HD2  LEU  32          3HD2      LEU  32  -5.245   4.319  27.223
  258    H    ASP  33           H        ASP  33  -3.690   9.486  27.785
  259    HA   ASP  33           HA       ASP  33  -5.817  10.894  26.598
  260   1HB   ASP  33          1HB       ASP  33  -4.616  11.089  28.908
  261   2HB   ASP  33          2HB       ASP  33  -3.559  12.237  28.088
  262    H    GLY  34           H        GLY  34  -2.331  11.152  26.071
  263   1HA   GLY  34          1HA       GLY  34  -1.114  12.375  24.464
  264   2HA   GLY  34          2HA       GLY  34  -2.517  13.424  24.277
  265    H    ILE  35           H        ILE  35  -2.027   9.927  23.797
  266    HA   ILE  35           HA       ILE  35  -2.097   9.891  20.971
  267    HB   ILE  35           HB       ILE  35  -2.744   8.020  23.221
  268   1HG1  ILE  35          1HG1      ILE  35  -0.429   8.337  22.482
  269   2HG1  ILE  35          2HG1      ILE  35  -0.962   6.702  22.090
  270   1HG2  ILE  35          1HG2      ILE  35  -3.300   7.402  20.301
  271   2HG2  ILE  35          2HG2      ILE  35  -3.316   6.223  21.613
  272   3HG2  ILE  35          3HG2      ILE  35  -4.511   7.519  21.578
  273   1HD1  ILE  35          1HD1      ILE  35  -1.669   8.423  19.912
  274   2HD1  ILE  35          2HD1      ILE  35   0.027   8.702  20.309
  275   3HD1  ILE  35          3HD1      ILE  35  -0.530   7.076  19.913
  276    H    MET  36           H        MET  36  -4.689  10.146  23.350
  277    HA   MET  36           HA       MET  36  -6.840   9.792  21.397
  278   1HB   MET  36          1HB       MET  36  -6.494  10.433  24.288
  279   2HB   MET  36          2HB       MET  36  -8.010  10.925  23.531
  280   1HG   MET  36          1HG       MET  36  -6.846   8.124  23.438
  281   2HG   MET  36          2HG       MET  36  -8.158   8.638  24.498
  282   1HE   MET  36          1HE       MET  36 -10.312   8.281  24.110
  283   2HE   MET  36          2HE       MET  36 -10.454   9.883  23.373
  284   3HE   MET  36          3HE       MET  36 -11.231   8.490  22.621
  285    H    PHE  37           H        PHE  37  -6.034  12.625  23.467
  286    HA   PHE  37           HA       PHE  37  -7.522  14.551  22.125
  287   1HB   PHE  37          1HB       PHE  37  -6.493  15.773  23.725
  288   2HB   PHE  37          2HB       PHE  37  -5.422  14.412  24.042
  289    HD1  PHE  37           HD1      PHE  37  -3.256  14.222  22.758
  290    HD2  PHE  37           HD2      PHE  37  -5.711  17.737  22.633
  291    HE1  PHE  37           HE1      PHE  37  -1.348  15.520  21.863
  292    HE2  PHE  37           HE2      PHE  37  -3.804  19.036  21.729
  293    HZ   PHE  37           HZ       PHE  37  -1.626  17.918  21.341
  294    H    ILE  38           H        ILE  38  -4.184  13.510  21.288
  295    HA   ILE  38           HA       ILE  38  -3.743  15.179  19.064
  296    HB   ILE  38           HB       ILE  38  -2.990  12.314  19.693
  297   1HG1  ILE  38          1HG1      ILE  38  -1.627  15.006  19.915
  298   2HG1  ILE  38          2HG1      ILE  38  -1.967  13.852  21.203
  299   1HG2  ILE  38          1HG2      ILE  38  -2.989  12.791  17.210
  300   2HG2  ILE  38          2HG2      ILE  38  -1.809  14.065  17.519
  301   3HG2  ILE  38          3HG2      ILE  38  -1.405  12.384  17.871
  302   1HD1  ILE  38          1HD1      ILE  38  -0.441  12.223  19.956
  303   2HD1  ILE  38          2HD1      ILE  38   0.063  13.601  18.976
  304   3HD1  ILE  38          3HD1      ILE  38   0.356  13.601  20.715
  305    H    ASN  39           H        ASN  39  -5.535  12.116  19.286
  306    HA   ASN  39           HA       ASN  39  -6.100  11.835  16.481
  307   1HB   ASN  39          1HB       ASN  39  -7.521  10.911  18.997
  308   2HB   ASN  39          2HB       ASN  39  -7.904  10.323  17.380
  309   2HD2  ASN  39          2HD2      ASN  39  -6.944   8.521  19.365
  310   1HD2  ASN  39          1HD2      ASN  39  -5.386   8.009  18.932
  311    H    LYS  40           H        LYS  40  -7.842  13.401  19.149
  312    HA   LYS  40           HA       LYS  40 -10.035  14.286  17.397
  313   1HB   LYS  40          1HB       LYS  40  -9.245  14.820  20.279
  314   2HB   LYS  40          2HB       LYS  40 -10.737  15.408  19.546
  315   1HG   LYS  40          1HG       LYS  40 -11.429  13.103  19.060
  316   2HG   LYS  40          2HG       LYS  40  -9.918  12.493  19.735
  317   1HD   LYS  40          1HD       LYS  40 -10.602  13.772  21.883
  318   2HD   LYS  40          2HD       LYS  40 -12.214  13.825  21.168
  319   1HE   LYS  40          1HE       LYS  40 -11.767  11.222  20.805
  320   2HE   LYS  40          2HE       LYS  40 -10.663  11.465  22.170
  321   1HZ   LYS  40          1HZ       LYS  40 -12.536  12.712  23.255
  322   2HZ   LYS  40          2HZ       LYS  40 -13.556  12.128  22.030
  323   3HZ   LYS  40          3HZ       LYS  40 -12.795  11.040  23.091
  324    H    CYS  41           H        CYS  41  -6.912  15.376  18.263
  325    HA   CYS  41           HA       CYS  41  -7.170  18.201  18.289
  326   1HB   CYS  41          1HB       CYS  41  -5.157  16.914  18.882
  327   2HB   CYS  41          2HB       CYS  41  -4.992  16.380  17.213
  328    H    ALA  42           H        ALA  42  -5.967  16.304  15.513
  329    HA   ALA  42           HA       ALA  42  -6.408  18.374  13.582
  330   1HB   ALA  42          1HB       ALA  42  -5.094  16.007  13.695
  331   2HB   ALA  42          2HB       ALA  42  -5.470  16.816  12.173
  332   3HB   ALA  42          3HB       ALA  42  -6.507  15.516  12.760
  333    H    THR  43           H        THR  43  -8.476  15.780  14.796
  334    HA   THR  43           HA       THR  43 -10.506  16.019  12.732
  335    HB   THR  43           HB       THR  43 -10.531  14.882  15.549
  336    HG1  THR  43           HG1      THR  43  -9.623  13.203  14.678
  337   1HG2  THR  43          1HG2      THR  43 -12.759  15.425  14.242
  338   2HG2  THR  43          2HG2      THR  43 -12.333  13.976  13.332
  339   3HG2  THR  43          3HG2      THR  43 -12.574  13.882  15.076
  340    H    CYS  44           H        CYS  44 -10.236  17.194  16.104
  341    HA   CYS  44           HA       CYS  44 -12.755  18.543  16.196
  342   1HB   CYS  44          1HB       CYS  44 -10.092  18.867  17.597
  343   2HB   CYS  44          2HB       CYS  44 -11.494  19.848  18.025
  344    H    LYS  45           H        LYS  45  -9.700  19.373  14.723
  345    HA   LYS  45           HA       LYS  45 -10.087  22.226  14.525
  346   1HB   LYS  45          1HB       LYS  45  -7.907  21.201  14.293
  347   2HB   LYS  45          2HB       LYS  45  -8.472  20.180  12.972
  348   1HG   LYS  45          1HG       LYS  45  -9.096  22.621  11.969
  349   2HG   LYS  45          2HG       LYS  45  -7.694  23.047  12.952
  350   1HD   LYS  45          1HD       LYS  45  -6.472  21.115  11.844
  351   2HD   LYS  45          2HD       LYS  45  -7.834  20.992  10.731
  352   1HE   LYS  45          1HE       LYS  45  -7.430  23.176   9.839
  353   2HE   LYS  45          2HE       LYS  45  -6.326  23.588  11.164
  354   1HZ   LYS  45          1HZ       LYS  45  -5.059  21.506  10.399
  355   2HZ   LYS  45          2HZ       LYS  45  -5.928  21.670   8.949
  356   3HZ   LYS  45          3HZ       LYS  45  -4.900  22.916   9.467
  357    H    MET  46           H        MET  46 -10.757  19.513  12.287
  358    HA   MET  46           HA       MET  46 -11.731  21.102  10.116
  359   1HB   MET  46          1HB       MET  46 -12.598  18.971   9.326
  360   2HB   MET  46          2HB       MET  46 -11.044  18.683  10.105
  361   1HG   MET  46          1HG       MET  46 -12.003  17.292  11.588
  362   2HG   MET  46          2HG       MET  46 -13.140  18.547  12.074
  363   1HE   MET  46          1HE       MET  46 -13.931  16.244  12.609
  364   2HE   MET  46          2HE       MET  46 -15.494  15.899  11.872
  365   3HE   MET  46          3HE       MET  46 -14.081  14.956  11.405
  366    H    ILE  47           H        ILE  47 -13.171  20.149  13.138
  367    HA   ILE  47           HA       ILE  47 -15.941  20.318  12.515
  368    HB   ILE  47           HB       ILE  47 -14.491  21.187  15.039
  369   1HG1  ILE  47          1HG1      ILE  47 -13.674  19.003  14.515
  370   2HG1  ILE  47          2HG1      ILE  47 -14.954  18.761  15.702
  371   1HG2  ILE  47          1HG2      ILE  47 -17.317  20.461  14.343
  372   2HG2  ILE  47          2HG2      ILE  47 -16.706  20.067  15.951
  373   3HG2  ILE  47          3HG2      ILE  47 -16.721  21.742  15.398
  374   1HD1  ILE  47          1HD1      ILE  47 -16.411  18.675  13.413
  375   2HD1  ILE  47          2HD1      ILE  47 -14.877  18.031  12.827
  376   3HD1  ILE  47          3HD1      ILE  47 -15.709  17.242  14.167
  377    H    LEU  48           H        LEU  48 -13.602  22.847  13.433
  378    HA   LEU  48           HA       LEU  48 -15.531  25.009  13.447
  379   1HB   LEU  48          1HB       LEU  48 -12.521  24.749  13.318
  380   2HB   LEU  48          2HB       LEU  48 -13.308  26.327  13.293
  381    HG   LEU  48           HG       LEU  48 -12.704  25.721  15.593
  382   1HD1  LEU  48          1HD1      LEU  48 -15.149  26.631  14.740
  383   2HD1  LEU  48          2HD1      LEU  48 -15.611  25.261  15.750
  384   3HD1  LEU  48          3HD1      LEU  48 -14.641  26.569  16.428
  385   1HD2  LEU  48          1HD2      LEU  48 -12.852  23.218  15.111
  386   2HD2  LEU  48          2HD2      LEU  48 -13.516  23.739  16.660
  387   3HD2  LEU  48          3HD2      LEU  48 -14.597  23.377  15.314
  388    H    GLU  49           H        GLU  49 -13.260  23.703  11.034
  389    HA   GLU  49           HA       GLU  49 -13.582  25.706   9.031
  390   1HB   GLU  49          1HB       GLU  49 -13.057  22.721   8.855
  391   2HB   GLU  49          2HB       GLU  49 -12.774  23.866   7.544
  392   1HG   GLU  49          1HG       GLU  49 -11.536  24.264  10.268
  393   2HG   GLU  49          2HG       GLU  49 -10.760  23.256   9.047
  394    H    LYS  50           H        LYS  50 -15.663  23.071  10.028
  395    HA   LYS  50           HA       LYS  50 -17.288  23.000   7.614
  396   1HB   LYS  50          1HB       LYS  50 -17.631  22.042  10.470
  397   2HB   LYS  50          2HB       LYS  50 -18.792  21.690   9.191
  398   1HG   LYS  50          1HG       LYS  50 -15.845  21.037   8.957
  399   2HG   LYS  50          2HG       LYS  50 -17.030  19.894   9.589
  400   1HD   LYS  50          1HD       LYS  50 -18.350  20.351   7.417
  401   2HD   LYS  50          2HD       LYS  50 -16.858  21.073   6.815
  402   1HE   LYS  50          1HE       LYS  50 -15.659  18.933   7.337
  403   2HE   LYS  50          2HE       LYS  50 -17.215  18.218   7.802
  404   1HZ   LYS  50          1HZ       LYS  50 -18.072  18.918   5.597
  405   2HZ   LYS  50          2HZ       LYS  50 -16.501  19.398   5.164
  406   3HZ   LYS  50          3HZ       LYS  50 -16.828  17.765   5.486
  407    H    GLU  51           H        GLU  51 -17.553  24.600  10.788
  408    HA   GLU  51           HA       GLU  51 -20.171  25.647  10.573
  409   1HB   GLU  51          1HB       GLU  51 -17.618  26.702  11.823
  410   2HB   GLU  51          2HB       GLU  51 -19.204  27.415  12.119
  411   1HG   GLU  51          1HG       GLU  51 -20.029  25.281  12.998
  412   2HG   GLU  51          2HG       GLU  51 -18.481  24.515  12.639
  413    H    ALA  52           H        ALA  52 -17.219  26.604   8.949
  414    HA   ALA  52           HA       ALA  52 -18.178  29.237   8.128
  415   1HB   ALA  52          1HB       ALA  52 -15.767  28.217   8.430
  416   2HB   ALA  52          2HB       ALA  52 -16.058  29.390   7.146
  417   3HB   ALA  52          3HB       ALA  52 -16.002  27.667   6.771
  418    H    LYS  53           H        LYS  53 -18.392  25.969   6.889
  419    HA   LYS  53           HA       LYS  53 -19.296  25.123   4.866
  420   1HB   LYS  53          1HB       LYS  53 -21.006  27.581   5.377
  421   2HB   LYS  53          2HB       LYS  53 -21.476  26.190   4.399
  422   1HG   LYS  53          1HG       LYS  53 -21.372  24.727   6.335
  423   2HG   LYS  53          2HG       LYS  53 -20.720  26.028   7.331
  424   1HD   LYS  53          1HD       LYS  53 -22.821  27.328   6.916
  425   2HD   LYS  53          2HD       LYS  53 -23.471  25.931   6.059
  426   1HE   LYS  53          1HE       LYS  53 -23.210  24.557   8.112
  427   2HE   LYS  53          2HE       LYS  53 -22.595  25.982   8.971
  428   1HZ   LYS  53          1HZ       LYS  53 -25.145  26.075   7.476
  429   2HZ   LYS  53          2HZ       LYS  53 -25.104  25.511   9.076
  430   3HZ   LYS  53          3HZ       LYS  53 -24.609  27.097   8.722
  431    H    SER  54           H        SER  54 -17.006  26.494   4.231
  432    HA   SER  54           HA       SER  54 -17.712  28.436   2.079
  433   1HB   SER  54          1HB       SER  54 -16.000  28.894   3.900
  434   2HB   SER  54          2HB       SER  54 -15.003  27.630   3.178
  435    HG   SER  54           HG       SER  54 -14.677  29.907   2.474
  436    H    GLN  55           H        GLN  55 -18.361  27.056   0.365
  437    HA   GLN  55           HA       GLN  55 -18.060  25.555  -1.438
  438   1HB   GLN  55          1HB       GLN  55 -15.212  26.351  -0.754
  439   2HB   GLN  55          2HB       GLN  55 -15.676  25.524  -2.241
  440   1HG   GLN  55          1HG       GLN  55 -17.218  27.401  -2.775
  441   2HG   GLN  55          2HG       GLN  55 -16.677  28.236  -1.319
  442   2HE2  GLN  55          2HE2      GLN  55 -15.869  29.973  -2.835
  443   1HE2  GLN  55          1HE2      GLN  55 -14.380  29.753  -3.619

  No H/Q in entry =         443
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1 -29.081  17.461  15.119
    2    H2   LYS   1           H2       LYS   1 -28.072  18.137  13.931
    3    H3   LYS   1           H3       LYS   1 -29.728  17.939  13.623
    4    HA   LYS   1           HA       LYS   1 -29.558  15.622  13.431
    5   1HB   LYS   1          1HB       LYS   1 -27.114  17.024  12.301
    6   2HB   LYS   1          2HB       LYS   1 -27.713  15.463  11.743
    7   1HG   LYS   1          1HG       LYS   1 -29.870  16.502  11.143
    8   2HG   LYS   1          2HG       LYS   1 -29.277  18.063  11.709
    9   1HD   LYS   1          1HD       LYS   1 -27.446  17.950  10.031
   10   2HD   LYS   1          2HD       LYS   1 -28.104  16.423   9.441
   11   1HE   LYS   1          1HE       LYS   1 -30.138  17.495   8.704
   12   2HE   LYS   1          2HE       LYS   1 -29.702  19.006   9.526
   13   1HZ   LYS   1          1HZ       LYS   1 -27.704  19.115   8.142
   14   2HZ   LYS   1          2HZ       LYS   1 -28.176  17.700   7.328
   15   3HZ   LYS   1          3HZ       LYS   1 -29.107  19.111   7.182
   16    H    ASN   2           H        ASN   2 -26.214  16.711  14.152
   17    HA   ASN   2           HA       ASN   2 -25.407  14.151  15.216
   18   1HB   ASN   2          1HB       ASN   2 -24.025  16.071  14.205
   19   2HB   ASN   2          2HB       ASN   2 -24.174  16.856  15.778
   20   2HD2  ASN   2          2HD2      ASN   2 -21.825  16.596  16.139
   21   1HD2  ASN   2          1HD2      ASN   2 -21.176  15.079  16.539
   22    H    GLU   3           H        GLU   3 -25.619  13.376  17.290
   23    HA   GLU   3           HA       GLU   3 -27.256  14.769  19.230
   24   1HB   GLU   3          1HB       GLU   3 -25.535  12.278  19.233
   25   2HB   GLU   3          2HB       GLU   3 -26.488  12.767  20.635
   26   1HG   GLU   3          1HG       GLU   3 -28.206  11.645  19.684
   27   2HG   GLU   3          2HG       GLU   3 -28.287  12.970  18.523
   28    H    ASP   4           H        ASP   4 -23.813  14.572  18.629
   29    HA   ASP   4           HA       ASP   4 -23.057  15.546  21.297
   30   1HB   ASP   4          1HB       ASP   4 -21.560  15.131  18.690
   31   2HB   ASP   4          2HB       ASP   4 -20.792  15.536  20.225
   32    H    GLN   5           H        GLN   5 -23.526  16.877  18.060
   33    HA   GLN   5           HA       GLN   5 -23.591  19.118  17.308
   34   1HB   GLN   5          1HB       GLN   5 -24.050  19.436  20.292
   35   2HB   GLN   5          2HB       GLN   5 -24.277  20.732  19.119
   36   1HG   GLN   5          1HG       GLN   5 -25.993  19.454  17.965
   37   2HG   GLN   5          2HG       GLN   5 -25.695  18.054  18.995
   38   2HE2  GLN   5          2HE2      GLN   5 -28.287  18.991  19.022
   39   1HE2  GLN   5          1HE2      GLN   5 -28.613  19.831  20.460
   40    H    GLU   6           H        GLU   6 -22.247  19.956  20.460
   41    HA   GLU   6           HA       GLU   6 -20.012  21.375  19.301
   42   1HB   GLU   6          1HB       GLU   6 -20.645  20.370  22.097
   43   2HB   GLU   6          2HB       GLU   6 -19.329  21.484  21.726
   44   1HG   GLU   6          1HG       GLU   6 -20.943  23.101  20.809
   45   2HG   GLU   6          2HG       GLU   6 -22.265  21.982  21.139
   46    H    MET   7           H        MET   7 -19.664  19.104  18.016
   47    HA   MET   7           HA       MET   7 -18.536  16.809  18.969
   48   1HB   MET   7          1HB       MET   7 -17.688  18.619  16.696
   49   2HB   MET   7          2HB       MET   7 -17.033  16.995  16.902
   50   1HG   MET   7          1HG       MET   7 -19.369  16.101  16.884
   51   2HG   MET   7          2HG       MET   7 -19.953  17.729  16.541
   52   1HE   MET   7          1HE       MET   7 -18.076  14.700  15.579
   53   2HE   MET   7          2HE       MET   7 -19.639  14.553  14.783
   54   3HE   MET   7          3HE       MET   7 -18.157  14.642  13.820
   55    H    CYS   8           H        CYS   8 -17.032  20.005  19.030
   56    HA   CYS   8           HA       CYS   8 -14.512  18.855  20.131
   57   1HB   CYS   8          1HB       CYS   8 -15.398  21.485  18.950
   58   2HB   CYS   8          2HB       CYS   8 -13.888  21.373  19.854
   59    H    HIS   9           H        HIS   9 -14.086  19.009  22.306
   60    HA   HIS   9           HA       HIS   9 -15.683  20.961  23.929
   61   1HB   HIS   9          1HB       HIS   9 -16.583  18.653  24.067
   62   2HB   HIS   9          2HB       HIS   9 -14.996  18.075  24.577
   63    HD1  HIS   9           HD1      HIS   9 -16.866  17.453  26.675
   64    HD2  HIS   9           HD2      HIS   9 -15.370  21.330  26.356
   65    HE1  HIS   9           HE1      HIS   9 -17.202  18.538  28.938
   66    H    GLU  10           H        GLU  10 -12.820  18.818  23.874
   67    HA   GLU  10           HA       GLU  10 -11.516  20.253  26.066
   68   1HB   GLU  10          1HB       GLU  10 -10.856  18.026  24.147
   69   2HB   GLU  10          2HB       GLU  10  -9.595  18.710  25.175
   70   1HG   GLU  10          1HG       GLU  10 -12.206  17.474  26.099
   71   2HG   GLU  10          2HG       GLU  10 -10.590  16.801  26.314
   72    H    PHE  11           H        PHE  11 -11.003  19.977  22.531
   73    HA   PHE  11           HA       PHE  11  -8.765  21.772  22.411
   74   1HB   PHE  11          1HB       PHE  11 -10.855  20.797  20.470
   75   2HB   PHE  11          2HB       PHE  11  -9.563  21.880  19.964
   76    HD1  PHE  11           HD1      PHE  11  -7.225  21.153  19.965
   77    HD2  PHE  11           HD2      PHE  11 -10.381  18.490  21.148
   78    HE1  PHE  11           HE1      PHE  11  -5.676  19.228  19.764
   79    HE2  PHE  11           HE2      PHE  11  -8.832  16.567  20.949
   80    HZ   PHE  11           HZ       PHE  11  -6.481  16.936  20.257
   81    H    GLN  12           H        GLN  12 -12.201  22.319  22.699
   82    HA   GLN  12           HA       GLN  12 -12.628  24.800  21.511
   83   1HB   GLN  12          1HB       GLN  12 -14.291  23.487  22.787
   84   2HB   GLN  12          2HB       GLN  12 -13.445  23.870  24.287
   85   1HG   GLN  12          1HG       GLN  12 -13.780  26.341  23.635
   86   2HG   GLN  12          2HG       GLN  12 -14.945  25.746  22.454
   87   2HE2  GLN  12          2HE2      GLN  12 -16.195  27.275  24.234
   88   1HE2  GLN  12          1HE2      GLN  12 -16.975  26.383  25.450
   89    H    ALA  13           H        ALA  13 -11.161  24.205  24.722
   90    HA   ALA  13           HA       ALA  13 -10.640  26.900  25.432
   91   1HB   ALA  13          1HB       ALA  13  -8.671  25.662  26.673
   92   2HB   ALA  13          2HB       ALA  13 -10.337  25.273  27.098
   93   3HB   ALA  13          3HB       ALA  13  -9.430  24.208  26.024
   94    H    PHE  14           H        PHE  14  -9.207  24.898  22.990
   95    HA   PHE  14           HA       PHE  14  -6.725  26.490  22.824
   96   1HB   PHE  14          1HB       PHE  14  -7.869  24.276  21.092
   97   2HB   PHE  14          2HB       PHE  14  -6.208  24.855  21.068
   98    HD1  PHE  14           HD1      PHE  14  -6.758  25.233  24.354
   99    HD2  PHE  14           HD2      PHE  14  -6.609  22.034  21.492
  100    HE1  PHE  14           HE1      PHE  14  -6.181  23.639  26.165
  101    HE2  PHE  14           HE2      PHE  14  -6.034  20.441  23.299
  102    HZ   PHE  14           HZ       PHE  14  -5.819  21.242  25.637
  103    H    MET  15           H        MET  15  -9.681  27.416  22.121
  104    HA   MET  15           HA       MET  15  -9.207  28.252  19.306
  105   1HB   MET  15          1HB       MET  15 -11.582  28.618  19.297
  106   2HB   MET  15          2HB       MET  15 -11.314  27.097  20.139
  107   1HG   MET  15          1HG       MET  15 -11.249  28.594  22.285
  108   2HG   MET  15          2HG       MET  15 -12.068  29.781  21.273
  109   1HE   MET  15          1HE       MET  15 -13.685  30.073  22.545
  110   2HE   MET  15          2HE       MET  15 -15.234  29.416  21.998
  111   3HE   MET  15          3HE       MET  15 -14.539  28.887  23.528
  112    H    LYS  16           H        LYS  16  -8.185  30.210  19.119
  113    HA   LYS  16           HA       LYS  16  -8.442  32.235  21.272
  114   1HB   LYS  16          1HB       LYS  16  -6.237  31.651  20.357
  115   2HB   LYS  16          2HB       LYS  16  -6.785  32.061  18.733
  116   1HG   LYS  16          1HG       LYS  16  -7.263  34.395  19.590
  117   2HG   LYS  16          2HG       LYS  16  -6.458  33.936  21.090
  118   1HD   LYS  16          1HD       LYS  16  -4.431  33.322  19.740
  119   2HD   LYS  16          2HD       LYS  16  -5.240  33.970  18.314
  120   1HE   LYS  16          1HE       LYS  16  -5.401  36.185  19.397
  121   2HE   LYS  16          2HE       LYS  16  -4.603  35.536  20.843
  122   1HZ   LYS  16          1HZ       LYS  16  -3.318  34.992  18.285
  123   2HZ   LYS  16          2HZ       LYS  16  -3.257  36.603  18.810
  124   3HZ   LYS  16          3HZ       LYS  16  -2.621  35.368  19.787
  125    H    ASN  17           H        ASN  17 -10.766  32.678  20.708
  126    HA   ASN  17           HA       ASN  17 -12.358  34.132  19.733
  127   1HB   ASN  17          1HB       ASN  17 -10.219  35.581  19.930
  128   2HB   ASN  17          2HB       ASN  17 -10.030  35.294  18.200
  129   2HD2  ASN  17          2HD2      ASN  17 -11.187  37.588  20.237
  130   1HD2  ASN  17          1HD2      ASN  17 -12.462  38.209  19.304
  131    H    GLY  18           H        GLY  18 -12.414  31.712  18.568
  132   1HA   GLY  18          1HA       GLY  18 -12.975  32.346  15.754
  133   2HA   GLY  18          2HA       GLY  18 -13.356  30.830  16.569
  134    H    LYS  19           H        LYS  19 -10.163  31.814  17.162
  135    HA   LYS  19           HA       LYS  19  -9.063  30.396  14.789
  136   1HB   LYS  19          1HB       LYS  19  -8.314  32.676  15.815
  137   2HB   LYS  19          2HB       LYS  19  -7.514  31.684  17.035
  138   1HG   LYS  19          1HG       LYS  19  -7.113  31.308  14.055
  139   2HG   LYS  19          2HG       LYS  19  -6.057  32.301  15.057
  140   1HD   LYS  19          1HD       LYS  19  -5.676  30.297  16.526
  141   2HD   LYS  19          2HD       LYS  19  -6.594  29.334  15.368
  142   1HE   LYS  19          1HE       LYS  19  -4.285  31.006  14.395
  143   2HE   LYS  19          2HE       LYS  19  -3.980  29.422  15.134
  144   1HZ   LYS  19          1HZ       LYS  19  -5.833  28.595  13.637
  145   2HZ   LYS  19          2HZ       LYS  19  -5.678  30.058  12.786
  146   3HZ   LYS  19          3HZ       LYS  19  -4.369  28.982  12.866
  147    H    LEU  20           H        LEU  20  -8.902  28.195  15.052
  148    HA   LEU  20           HA       LEU  20  -8.502  27.046  17.756
  149   1HB   LEU  20          1HB       LEU  20 -10.122  26.301  15.839
  150   2HB   LEU  20          2HB       LEU  20  -8.687  25.545  15.149
  151    HG   LEU  20           HG       LEU  20  -9.979  24.984  17.827
  152   1HD1  LEU  20          1HD1      LEU  20 -10.588  23.856  15.524
  153   2HD1  LEU  20          2HD1      LEU  20  -9.090  22.964  15.791
  154   3HD1  LEU  20          3HD1      LEU  20 -10.401  22.858  16.965
  155   1HD2  LEU  20          1HD2      LEU  20  -7.229  24.225  16.807
  156   2HD2  LEU  20          2HD2      LEU  20  -7.619  25.101  18.288
  157   3HD2  LEU  20          3HD2      LEU  20  -8.029  23.391  18.140
  158    H    PHE  21           H        PHE  21  -6.321  27.231  18.338
  159    HA   PHE  21           HA       PHE  21  -4.244  26.606  16.305
  160   1HB   PHE  21          1HB       PHE  21  -2.749  27.301  18.302
  161   2HB   PHE  21          2HB       PHE  21  -3.756  28.548  17.574
  162    HD1  PHE  21           HD1      PHE  21  -3.383  26.282  20.481
  163    HD2  PHE  21           HD2      PHE  21  -5.606  29.534  18.765
  164    HE1  PHE  21           HE1      PHE  21  -4.456  26.705  22.674
  165    HE2  PHE  21           HE2      PHE  21  -6.677  29.957  20.963
  166    HZ   PHE  21           HZ       PHE  21  -6.101  28.544  22.915
  167    H    CYS  22           H        CYS  22  -5.365  24.311  16.502
  168    HA   CYS  22           HA       CYS  22  -5.081  22.580  18.673
  169   1HB   CYS  22          1HB       CYS  22  -5.871  22.423  16.081
  170   2HB   CYS  22          2HB       CYS  22  -4.361  21.516  16.002
  171    HA   PRO  23           HA       PRO  23  -0.603  21.503  17.109
  172   1HB   PRO  23          1HB       PRO  23   0.438  23.901  15.906
  173   2HB   PRO  23          2HB       PRO  23   0.212  22.315  15.163
  174   1HG   PRO  23          1HG       PRO  23  -1.292  24.705  14.685
  175   2HG   PRO  23          2HG       PRO  23  -1.544  23.110  13.973
  176   1HD   PRO  23          1HD       PRO  23  -3.159  24.462  15.950
  177   2HD   PRO  23          2HD       PRO  23  -3.455  22.882  15.195
  178    H    GLN  24           H        GLN  24  -0.744  21.862  19.486
  179    HA   GLN  24           HA       GLN  24   0.714  24.335  20.362
  180   1HB   GLN  24          1HB       GLN  24  -1.566  24.347  21.147
  181   2HB   GLN  24          2HB       GLN  24  -1.458  22.660  21.651
  182   1HG   GLN  24          1HG       GLN  24   0.282  23.298  23.314
  183   2HG   GLN  24          2HG       GLN  24   0.086  24.986  22.841
  184   2HE2  GLN  24          2HE2      GLN  24  -1.757  22.202  24.169
  185   1HE2  GLN  24          1HE2      GLN  24  -2.884  23.152  25.012
  186    H    ASP  25           H        ASP  25  -0.068  21.509  22.308
  187    HA   ASP  25           HA       ASP  25   2.843  20.784  22.370
  188   1HB   ASP  25          1HB       ASP  25   1.579  22.082  24.338
  189   2HB   ASP  25          2HB       ASP  25   1.068  20.446  24.755
  190    H    LYS  26           H        LYS  26   2.012  19.166  20.691
  191    HA   LYS  26           HA       LYS  26   0.100  17.135  21.356
  192   1HB   LYS  26          1HB       LYS  26   2.342  17.509  19.391
  193   2HB   LYS  26          2HB       LYS  26   1.540  15.941  19.497
  194   1HG   LYS  26          1HG       LYS  26  -0.656  17.087  19.181
  195   2HG   LYS  26          2HG       LYS  26   0.203  18.613  18.966
  196   1HD   LYS  26          1HD       LYS  26   1.533  17.338  17.125
  197   2HD   LYS  26          2HD       LYS  26   0.204  16.182  17.184
  198   1HE   LYS  26          1HE       LYS  26  -1.346  18.248  16.923
  199   2HE   LYS  26          2HE       LYS  26   0.120  19.100  16.404
  200   1HZ   LYS  26          1HZ       LYS  26   0.437  16.917  15.013
  201   2HZ   LYS  26          2HZ       LYS  26  -1.248  16.814  15.161
  202   3HZ   LYS  26          3HZ       LYS  26  -0.544  18.175  14.427
  203    H    LYS  27           H        LYS  27   3.143  17.699  22.720
  204    HA   LYS  27           HA       LYS  27   4.496  15.323  23.012
  205   1HB   LYS  27          1HB       LYS  27   3.684  17.357  25.111
  206   2HB   LYS  27          2HB       LYS  27   4.957  16.161  25.343
  207   1HG   LYS  27          1HG       LYS  27   4.946  18.098  23.019
  208   2HG   LYS  27          2HG       LYS  27   5.738  18.456  24.553
  209   1HD   LYS  27          1HD       LYS  27   7.168  16.497  24.322
  210   2HD   LYS  27          2HD       LYS  27   6.314  16.009  22.857
  211   1HE   LYS  27          1HE       LYS  27   6.996  18.336  21.924
  212   2HE   LYS  27          2HE       LYS  27   8.168  18.364  23.256
  213   1HZ   LYS  27          1HZ       LYS  27   8.749  16.022  22.515
  214   2HZ   LYS  27          2HZ       LYS  27   7.902  16.364  21.082
  215   3HZ   LYS  27          3HZ       LYS  27   9.267  17.280  21.498
  216    H    PHE  28           H        PHE  28   1.285  16.050  24.249
  217    HA   PHE  28           HA       PHE  28   0.950  14.116  26.257
  218   1HB   PHE  28          1HB       PHE  28  -0.995  14.892  24.059
  219   2HB   PHE  28          2HB       PHE  28  -1.417  14.283  25.659
  220    HD1  PHE  28           HD1      PHE  28  -0.091  15.657  27.632
  221    HD2  PHE  28           HD2      PHE  28  -1.212  17.186  23.779
  222    HE1  PHE  28           HE1      PHE  28  -0.025  17.969  28.528
  223    HE2  PHE  28           HE2      PHE  28  -1.147  19.496  24.674
  224    HZ   PHE  28           HZ       PHE  28  -0.551  19.889  27.046
  225    H    PHE  29           H        PHE  29   1.461  13.651  22.855
  226    HA   PHE  29           HA       PHE  29   0.222  11.223  22.253
  227   1HB   PHE  29          1HB       PHE  29   1.608  12.650  20.752
  228   2HB   PHE  29          2HB       PHE  29   3.053  12.105  21.599
  229    HD1  PHE  29           HD1      PHE  29   3.312   9.474  21.796
  230    HD2  PHE  29           HD2      PHE  29   0.908  11.482  18.857
  231    HE1  PHE  29           HE1      PHE  29   3.397   7.460  20.352
  232    HE2  PHE  29           HE2      PHE  29   0.992   9.468  17.413
  233    HZ   PHE  29           HZ       PHE  29   2.237   7.457  18.160
  234    H    GLN  30           H        GLN  30   2.778  11.803  24.545
  235    HA   GLN  30           HA       GLN  30   3.901   9.149  24.630
  236   1HB   GLN  30          1HB       GLN  30   3.786  11.527  26.492
  237   2HB   GLN  30          2HB       GLN  30   4.660  10.056  26.919
  238   1HG   GLN  30          1HG       GLN  30   5.729  10.357  24.527
  239   2HG   GLN  30          2HG       GLN  30   5.230  12.036  24.734
  240   2HE2  GLN  30          2HE2      GLN  30   6.637  13.343  25.920
  241   1HE2  GLN  30          1HE2      GLN  30   7.878  12.768  26.924
  242    H    SER  31           H        SER  31   0.806  10.170  25.436
  243    HA   SER  31           HA       SER  31   0.475   7.843  27.296
  244   1HB   SER  31          1HB       SER  31  -0.635  10.655  27.572
  245   2HB   SER  31          2HB       SER  31  -1.029   9.308  28.640
  246    HG   SER  31           HG       SER  31   1.298  10.801  28.424
  247    H    LEU  32           H        LEU  32  -1.743   6.988  27.291
  248    HA   LEU  32           HA       LEU  32  -2.946   6.783  24.725
  249   1HB   LEU  32          1HB       LEU  32  -3.111   5.414  26.988
  250   2HB   LEU  32          2HB       LEU  32  -4.515   6.446  27.255
  251    HG   LEU  32           HG       LEU  32  -4.148   4.989  24.642
  252   1HD1  LEU  32          1HD1      LEU  32  -5.470   3.938  27.162
  253   2HD1  LEU  32          2HD1      LEU  32  -5.576   3.183  25.572
  254   3HD1  LEU  32          3HD1      LEU  32  -4.023   3.279  26.399
  255   1HD2  LEU  32          1HD2      LEU  32  -6.394   6.306  26.155
  256   2HD2  LEU  32          2HD2      LEU  32  -5.875   6.575  24.490
  257   3HD2  LEU  32          3HD2      LEU  32  -6.740   5.098  24.917
  258    H    ASP  33           H        ASP  33  -3.942   8.710  27.560
  259    HA   ASP  33           HA       ASP  33  -6.241   9.929  26.435
  260   1HB   ASP  33          1HB       ASP  33  -5.284   9.954  28.830
  261   2HB   ASP  33          2HB       ASP  33  -4.251  11.273  28.279
  262    H    GLY  34           H        GLY  34  -2.810  10.831  26.266
  263   1HA   GLY  34          1HA       GLY  34  -1.718  12.426  24.921
  264   2HA   GLY  34          2HA       GLY  34  -3.261  13.266  24.773
  265    H    ILE  35           H        ILE  35  -2.350   9.945  23.884
  266    HA   ILE  35           HA       ILE  35  -2.135  10.292  21.084
  267    HB   ILE  35           HB       ILE  35  -2.911   8.058  22.949
  268   1HG1  ILE  35          1HG1      ILE  35  -0.554   8.668  22.780
  269   2HG1  ILE  35          2HG1      ILE  35  -0.803   7.100  22.009
  270   1HG2  ILE  35          1HG2      ILE  35  -3.019   8.035  19.926
  271   2HG2  ILE  35          2HG2      ILE  35  -2.759   6.562  20.862
  272   3HG2  ILE  35          3HG2      ILE  35  -4.249   7.484  21.064
  273   1HD1  ILE  35          1HD1      ILE  35  -1.269   8.830  19.925
  274   2HD1  ILE  35          2HD1      ILE  35  -0.004   9.675  20.817
  275   3HD1  ILE  35          3HD1      ILE  35   0.273   8.034  20.236
  276    H    MET  36           H        MET  36  -4.974   9.845  23.156
  277    HA   MET  36           HA       MET  36  -6.889   9.584  20.998
  278   1HB   MET  36          1HB       MET  36  -6.819   9.894  23.927
  279   2HB   MET  36          2HB       MET  36  -8.241  10.607  23.163
  280   1HG   MET  36          1HG       MET  36  -8.646   8.458  21.975
  281   2HG   MET  36          2HG       MET  36  -7.268   7.753  22.820
  282   1HE   MET  36          1HE       MET  36  -8.310   5.934  23.718
  283   2HE   MET  36          2HE       MET  36  -9.605   5.847  24.909
  284   3HE   MET  36          3HE       MET  36  -9.992   6.159  23.218
  285    H    PHE  37           H        PHE  37  -6.484  12.311  23.303
  286    HA   PHE  37           HA       PHE  37  -7.969  14.230  21.935
  287   1HB   PHE  37          1HB       PHE  37  -7.209  15.342  23.754
  288   2HB   PHE  37          2HB       PHE  37  -6.010  14.080  24.028
  289    HD1  PHE  37           HD1      PHE  37  -3.715  14.317  23.203
  290    HD2  PHE  37           HD2      PHE  37  -6.636  17.400  22.582
  291    HE1  PHE  37           HE1      PHE  37  -1.913  15.891  22.565
  292    HE2  PHE  37           HE2      PHE  37  -4.832  18.978  21.942
  293    HZ   PHE  37           HZ       PHE  37  -2.472  18.218  21.932
  294    H    ILE  38           H        ILE  38  -4.459  13.588  21.499
  295    HA   ILE  38           HA       ILE  38  -3.892  15.376  19.429
  296    HB   ILE  38           HB       ILE  38  -3.006  12.540  20.003
  297   1HG1  ILE  38          1HG1      ILE  38  -1.822  15.290  20.471
  298   2HG1  ILE  38          2HG1      ILE  38  -2.360  14.141  21.693
  299   1HG2  ILE  38          1HG2      ILE  38  -2.689  13.055  17.589
  300   2HG2  ILE  38          2HG2      ILE  38  -1.789  14.504  18.035
  301   3HG2  ILE  38          3HG2      ILE  38  -1.151  12.911  18.441
  302   1HD1  ILE  38          1HD1      ILE  38  -0.443  12.894  19.918
  303   2HD1  ILE  38          2HD1      ILE  38   0.230  14.370  20.610
  304   3HD1  ILE  38          3HD1      ILE  38  -0.367  13.092  21.668
  305    H    ASN  39           H        ASN  39  -5.489  12.209  19.250
  306    HA   ASN  39           HA       ASN  39  -5.690  12.142  16.361
  307   1HB   ASN  39          1HB       ASN  39  -7.253  10.811  18.599
  308   2HB   ASN  39          2HB       ASN  39  -7.372  10.355  16.900
  309   2HD2  ASN  39          2HD2      ASN  39  -6.402   8.556  18.965
  310   1HD2  ASN  39          1HD2      ASN  39  -4.770   8.225  18.631
  311    H    LYS  40           H        LYS  40  -7.694  13.392  18.980
  312    HA   LYS  40           HA       LYS  40  -9.941  14.097  17.231
  313   1HB   LYS  40          1HB       LYS  40 -10.038  13.448  19.681
  314   2HB   LYS  40          2HB       LYS  40  -9.273  14.991  20.054
  315   1HG   LYS  40          1HG       LYS  40 -11.161  16.112  18.775
  316   2HG   LYS  40          2HG       LYS  40 -11.960  14.540  18.731
  317   1HD   LYS  40          1HD       LYS  40 -12.126  14.454  21.116
  318   2HD   LYS  40          2HD       LYS  40 -11.020  15.815  21.310
  319   1HE   LYS  40          1HE       LYS  40 -12.649  17.351  20.357
  320   2HE   LYS  40          2HE       LYS  40 -13.730  16.006  19.943
  321   1HZ   LYS  40          1HZ       LYS  40 -13.325  15.470  22.488
  322   2HZ   LYS  40          2HZ       LYS  40 -13.095  17.152  22.563
  323   3HZ   LYS  40          3HZ       LYS  40 -14.562  16.523  21.988
  324    H    CYS  41           H        CYS  41  -6.916  15.474  18.097
  325    HA   CYS  41           HA       CYS  41  -7.492  18.275  18.000
  326   1HB   CYS  41          1HB       CYS  41  -5.393  17.439  18.827
  327   2HB   CYS  41          2HB       CYS  41  -5.083  16.562  17.333
  328    H    ALA  42           H        ALA  42  -5.807  16.430  15.466
  329    HA   ALA  42           HA       ALA  42  -6.165  18.227  13.343
  330   1HB   ALA  42          1HB       ALA  42  -6.130  15.191  13.359
  331   2HB   ALA  42          2HB       ALA  42  -5.825  16.190  11.938
  332   3HB   ALA  42          3HB       ALA  42  -4.716  16.245  13.307
  333    H    THR  43           H        THR  43  -8.442  15.891  14.685
  334    HA   THR  43           HA       THR  43 -10.370  16.140  12.501
  335    HB   THR  43           HB       THR  43 -10.600  15.079  15.339
  336    HG1  THR  43           HG1      THR  43  -9.050  14.207  13.595
  337   1HG2  THR  43          1HG2      THR  43 -12.642  15.613  13.603
  338   2HG2  THR  43          2HG2      THR  43 -12.243  13.953  13.161
  339   3HG2  THR  43          3HG2      THR  43 -12.687  14.340  14.824
  340    H    CYS  44           H        CYS  44 -10.333  17.196  15.926
  341    HA   CYS  44           HA       CYS  44 -12.672  18.691  16.041
  342   1HB   CYS  44          1HB       CYS  44 -11.026  18.279  17.870
  343   2HB   CYS  44          2HB       CYS  44  -9.933  19.442  17.120
  344    H    LYS  45           H        LYS  45  -9.608  19.545  14.489
  345    HA   LYS  45           HA       LYS  45 -10.107  22.302  13.977
  346   1HB   LYS  45          1HB       LYS  45  -7.934  21.245  13.699
  347   2HB   LYS  45          2HB       LYS  45  -8.577  20.164  12.463
  348   1HG   LYS  45          1HG       LYS  45  -9.276  22.525  11.367
  349   2HG   LYS  45          2HG       LYS  45  -7.855  23.047  12.273
  350   1HD   LYS  45          1HD       LYS  45  -6.648  21.036  11.223
  351   2HD   LYS  45          2HD       LYS  45  -8.022  20.931  10.121
  352   1HE   LYS  45          1HE       LYS  45  -7.611  23.175   9.291
  353   2HE   LYS  45          2HE       LYS  45  -6.364  23.448  10.522
  354   1HZ   LYS  45          1HZ       LYS  45  -6.097  21.034   8.913
  355   2HZ   LYS  45          2HZ       LYS  45  -5.820  22.498   8.094
  356   3HZ   LYS  45          3HZ       LYS  45  -4.901  22.101   9.468
  357    H    MET  46           H        MET  46 -10.801  19.423  11.945
  358    HA   MET  46           HA       MET  46 -11.976  20.838   9.766
  359   1HB   MET  46          1HB       MET  46 -12.783  18.652   9.136
  360   2HB   MET  46          2HB       MET  46 -11.215  18.426   9.908
  361   1HG   MET  46          1HG       MET  46 -12.144  17.098  11.459
  362   2HG   MET  46          2HG       MET  46 -13.250  18.385  11.928
  363   1HE   MET  46          1HE       MET  46 -12.517  15.361   9.749
  364   2HE   MET  46          2HE       MET  46 -13.913  15.201   8.686
  365   3HE   MET  46          3HE       MET  46 -12.788  16.550   8.477
  366    H    ILE  47           H        ILE  47 -13.153  20.089  12.937
  367    HA   ILE  47           HA       ILE  47 -15.990  20.255  12.410
  368    HB   ILE  47           HB       ILE  47 -14.426  20.894  14.933
  369   1HG1  ILE  47          1HG1      ILE  47 -13.670  18.746  14.136
  370   2HG1  ILE  47          2HG1      ILE  47 -14.824  18.445  15.436
  371   1HG2  ILE  47          1HG2      ILE  47 -17.072  21.216  14.525
  372   2HG2  ILE  47          2HG2      ILE  47 -17.056  19.503  14.942
  373   3HG2  ILE  47          3HG2      ILE  47 -16.409  20.691  16.072
  374   1HD1  ILE  47          1HD1      ILE  47 -15.481  18.407  12.473
  375   2HD1  ILE  47          2HD1      ILE  47 -15.249  16.978  13.482
  376   3HD1  ILE  47          3HD1      ILE  47 -16.607  18.062  13.786
  377    H    LEU  48           H        LEU  48 -13.457  22.613  13.128
  378    HA   LEU  48           HA       LEU  48 -15.255  24.856  13.568
  379   1HB   LEU  48          1HB       LEU  48 -12.313  24.424  13.070
  380   2HB   LEU  48          2HB       LEU  48 -12.974  26.058  13.108
  381    HG   LEU  48           HG       LEU  48 -12.202  25.497  15.337
  382   1HD1  LEU  48          1HD1      LEU  48 -14.679  26.452  14.777
  383   2HD1  LEU  48          2HD1      LEU  48 -15.106  25.036  15.738
  384   3HD1  LEU  48          3HD1      LEU  48 -14.059  26.281  16.420
  385   1HD2  LEU  48          1HD2      LEU  48 -12.302  23.022  15.005
  386   2HD2  LEU  48          2HD2      LEU  48 -13.013  23.537  16.535
  387   3HD2  LEU  48          3HD2      LEU  48 -14.056  23.102  15.180
  388    H    GLU  49           H        GLU  49 -13.325  23.669  10.804
  389    HA   GLU  49           HA       GLU  49 -14.090  25.833   9.027
  390   1HB   GLU  49          1HB       GLU  49 -12.991  24.422   7.360
  391   2HB   GLU  49          2HB       GLU  49 -12.057  24.379   8.856
  392   1HG   GLU  49          1HG       GLU  49 -13.136  22.257   9.478
  393   2HG   GLU  49          2HG       GLU  49 -14.094  22.300   7.999
  394    H    LYS  50           H        LYS  50 -15.488  22.728   9.884
  395    HA   LYS  50           HA       LYS  50 -17.199  22.269   7.675
  396   1HB   LYS  50          1HB       LYS  50 -16.962  21.528  10.515
  397   2HB   LYS  50          2HB       LYS  50 -18.611  21.439   9.897
  398   1HG   LYS  50          1HG       LYS  50 -17.383  20.245   7.848
  399   2HG   LYS  50          2HG       LYS  50 -16.195  19.872   9.097
  400   1HD   LYS  50          1HD       LYS  50 -17.575  18.085   9.472
  401   2HD   LYS  50          2HD       LYS  50 -18.472  19.262  10.430
  402   1HE   LYS  50          1HE       LYS  50 -20.009  19.686   8.617
  403   2HE   LYS  50          2HE       LYS  50 -19.011  18.754   7.484
  404   1HZ   LYS  50          1HZ       LYS  50 -19.279  16.851   9.100
  405   2HZ   LYS  50          2HZ       LYS  50 -20.495  17.765   9.859
  406   3HZ   LYS  50          3HZ       LYS  50 -20.679  17.278   8.242
  407    H    GLU  51           H        GLU  51 -17.695  24.294  10.569
  408    HA   GLU  51           HA       GLU  51 -20.408  25.027  10.071
  409   1HB   GLU  51          1HB       GLU  51 -18.078  26.379  11.458
  410   2HB   GLU  51          2HB       GLU  51 -19.730  26.992  11.540
  411   1HG   GLU  51          1HG       GLU  51 -20.509  25.014  12.633
  412   2HG   GLU  51          2HG       GLU  51 -19.016  24.146  12.278
  413    H    ALA  52           H        ALA  52 -17.406  26.101   8.628
  414    HA   ALA  52           HA       ALA  52 -18.465  28.589   7.528
  415   1HB   ALA  52          1HB       ALA  52 -15.986  27.279   7.882
  416   2HB   ALA  52          2HB       ALA  52 -16.180  27.472   6.140
  417   3HB   ALA  52          3HB       ALA  52 -16.248  28.884   7.196
  418    H    LYS  53           H        LYS  53 -18.797  28.941   5.199
  419    HA   LYS  53           HA       LYS  53 -20.504  27.079   3.923
  420   1HB   LYS  53          1HB       LYS  53 -20.246  29.527   3.464
  421   2HB   LYS  53          2HB       LYS  53 -18.705  29.185   2.679
  422   1HG   LYS  53          1HG       LYS  53 -19.917  27.640   1.113
  423   2HG   LYS  53          2HG       LYS  53 -21.436  28.171   1.836
  424   1HD   LYS  53          1HD       LYS  53 -20.920  30.503   1.201
  425   2HD   LYS  53          2HD       LYS  53 -19.409  29.966   0.468
  426   1HE   LYS  53          1HE       LYS  53 -20.669  28.557  -1.125
  427   2HE   LYS  53          2HE       LYS  53 -22.193  29.082  -0.384
  428   1HZ   LYS  53          1HZ       LYS  53 -20.243  31.126  -1.181
  429   2HZ   LYS  53          2HZ       LYS  53 -21.156  30.385  -2.407
  430   3HZ   LYS  53          3HZ       LYS  53 -21.939  31.210  -1.149
  431    H    SER  54           H        SER  54 -17.009  27.254   4.006
  432    HA   SER  54           HA       SER  54 -15.354  25.958   2.906
  433   1HB   SER  54          1HB       SER  54 -17.648  23.994   3.227
  434   2HB   SER  54          2HB       SER  54 -15.956  23.554   2.998
  435    HG   SER  54           HG       SER  54 -17.250  24.326   5.245
  436    H    GLN  55           H        GLN  55 -16.863  27.513   1.058
  437    HA   GLN  55           HA       GLN  55 -18.032  26.057  -1.095
  438   1HB   GLN  55          1HB       GLN  55 -18.196  28.490  -0.732
  439   2HB   GLN  55          2HB       GLN  55 -16.469  28.660  -1.048
  440   1HG   GLN  55          1HG       GLN  55 -16.853  27.682  -3.327
  441   2HG   GLN  55          2HG       GLN  55 -18.584  27.702  -2.998
  442   2HE2  GLN  55          2HE2      GLN  55 -18.896  29.301  -4.752
  443   1HE2  GLN  55          1HE2      GLN  55 -18.458  30.925  -4.523

  No H/Q in entry =         443
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1 -24.797  22.795  11.524
    2    H2   LYS   1           H2       LYS   1 -26.481  22.966  11.384
    3    H3   LYS   1           H3       LYS   1 -25.508  24.334  11.627
    4    HA   LYS   1           HA       LYS   1 -25.276  23.974  13.848
    5   1HB   LYS   1          1HB       LYS   1 -27.685  24.108  13.168
    6   2HB   LYS   1          2HB       LYS   1 -27.741  22.346  13.146
    7   1HG   LYS   1          1HG       LYS   1 -28.540  22.885  15.296
    8   2HG   LYS   1          2HG       LYS   1 -26.841  22.510  15.580
    9   1HD   LYS   1          1HD       LYS   1 -26.320  24.948  15.405
   10   2HD   LYS   1          2HD       LYS   1 -28.048  25.274  15.253
   11   1HE   LYS   1          1HE       LYS   1 -28.465  24.319  17.467
   12   2HE   LYS   1          2HE       LYS   1 -26.758  23.857  17.615
   13   1HZ   LYS   1          1HZ       LYS   1 -27.780  26.623  17.204
   14   2HZ   LYS   1          2HZ       LYS   1 -27.188  26.006  18.672
   15   3HZ   LYS   1          3HZ       LYS   1 -26.145  26.182  17.346
   16    H    ASN   2           H        ASN   2 -23.394  22.615  14.102
   17    HA   ASN   2           HA       ASN   2 -22.225  20.602  14.574
   18   1HB   ASN   2          1HB       ASN   2 -24.896  20.301  15.984
   19   2HB   ASN   2          2HB       ASN   2 -23.470  19.329  16.347
   20   2HD2  ASN   2          2HD2      ASN   2 -24.947  21.470  17.995
   21   1HD2  ASN   2          1HD2      ASN   2 -23.724  22.552  18.455
   22    H    GLU   3           H        GLU   3 -22.776  20.145  12.093
   23    HA   GLU   3           HA       GLU   3 -24.756  18.045  11.606
   24   1HB   GLU   3          1HB       GLU   3 -22.487  19.190   9.945
   25   2HB   GLU   3          2HB       GLU   3 -23.785  18.169   9.326
   26   1HG   GLU   3          1HG       GLU   3 -25.451  19.834   9.912
   27   2HG   GLU   3          2HG       GLU   3 -24.236  20.821  10.724
   28    H    ASP   4           H        ASP   4 -21.566  18.110  12.821
   29    HA   ASP   4           HA       ASP   4 -20.745  15.498  11.747
   30   1HB   ASP   4          1HB       ASP   4 -19.661  17.555  13.669
   31   2HB   ASP   4          2HB       ASP   4 -18.887  15.979  13.515
   32    H    GLN   5           H        GLN   5 -22.319  16.760  14.613
   33    HA   GLN   5           HA       GLN   5 -23.482  15.578  16.304
   34   1HB   GLN   5          1HB       GLN   5 -23.326  13.832  14.193
   35   2HB   GLN   5          2HB       GLN   5 -22.510  12.925  15.467
   36   1HG   GLN   5          1HG       GLN   5 -24.424  13.173  16.943
   37   2HG   GLN   5          2HG       GLN   5 -25.223  14.242  15.790
   38   2HE2  GLN   5          2HE2      GLN   5 -25.858  11.375  16.873
   39   1HE2  GLN   5          1HE2      GLN   5 -26.185  10.493  15.461
   40    H    GLU   6           H        GLU   6 -20.308  14.129  15.518
   41    HA   GLU   6           HA       GLU   6 -19.474  13.015  17.872
   42   1HB   GLU   6          1HB       GLU   6 -17.961  15.004  16.148
   43   2HB   GLU   6          2HB       GLU   6 -17.212  13.849  17.249
   44   1HG   GLU   6          1HG       GLU   6 -18.445  12.024  15.956
   45   2HG   GLU   6          2HG       GLU   6 -18.822  13.260  14.755
   46    H    MET   7           H        MET   7 -20.003  16.445  17.295
   47    HA   MET   7           HA       MET   7 -19.951  18.295  18.765
   48   1HB   MET   7          1HB       MET   7 -20.752  15.887  20.382
   49   2HB   MET   7          2HB       MET   7 -20.596  17.456  21.171
   50   1HG   MET   7          1HG       MET   7 -22.229  18.440  19.683
   51   2HG   MET   7          2HG       MET   7 -22.271  16.983  18.689
   52   1HE   MET   7          1HE       MET   7 -24.252  16.462  18.511
   53   2HE   MET   7          2HE       MET   7 -25.290  15.610  19.663
   54   3HE   MET   7          3HE       MET   7 -25.378  17.363  19.523
   55    H    CYS   8           H        CYS   8 -17.368  17.092  18.209
   56    HA   CYS   8           HA       CYS   8 -15.694  16.438  20.321
   57   1HB   CYS   8          1HB       CYS   8 -14.990  16.611  17.990
   58   2HB   CYS   8          2HB       CYS   8 -15.245  18.356  18.010
   59    H    HIS   9           H        HIS   9 -15.577  19.805  19.187
   60    HA   HIS   9           HA       HIS   9 -15.237  21.795  20.427
   61   1HB   HIS   9          1HB       HIS   9 -17.364  20.239  21.917
   62   2HB   HIS   9          2HB       HIS   9 -16.940  21.896  22.345
   63    HD1  HIS   9           HD1      HIS   9 -18.831  19.895  19.877
   64    HD2  HIS   9           HD2      HIS   9 -17.467  23.820  20.207
   65    HE1  HIS   9           HE1      HIS   9 -20.071  21.234  18.122
   66    H    GLU  10           H        GLU  10 -13.608  19.300  21.159
   67    HA   GLU  10           HA       GLU  10 -13.139  19.619  24.054
   68   1HB   GLU  10          1HB       GLU  10 -13.074  17.407  23.079
   69   2HB   GLU  10          2HB       GLU  10 -11.936  17.934  21.840
   70   1HG   GLU  10          1HG       GLU  10 -10.251  18.394  23.592
   71   2HG   GLU  10          2HG       GLU  10 -11.389  17.850  24.823
   72    H    PHE  11           H        PHE  11 -11.779  20.729  21.027
   73    HA   PHE  11           HA       PHE  11  -9.314  21.706  22.381
   74   1HB   PHE  11          1HB       PHE  11 -10.284  21.334  19.555
   75   2HB   PHE  11          2HB       PHE  11  -8.888  22.356  19.882
   76    HD1  PHE  11           HD1      PHE  11 -10.212  19.009  20.982
   77    HD2  PHE  11           HD2      PHE  11  -6.808  21.326  19.759
   78    HE1  PHE  11           HE1      PHE  11  -8.780  16.997  21.159
   79    HE2  PHE  11           HE2      PHE  11  -5.373  19.310  19.940
   80    HZ   PHE  11           HZ       PHE  11  -6.361  17.149  20.640
   81    H    GLN  12           H        GLN  12 -12.434  22.800  21.819
   82    HA   GLN  12           HA       GLN  12 -12.337  25.373  20.791
   83   1HB   GLN  12          1HB       GLN  12 -14.280  24.073  21.800
   84   2HB   GLN  12          2HB       GLN  12 -13.713  24.607  23.383
   85   1HG   GLN  12          1HG       GLN  12 -13.989  26.941  22.747
   86   2HG   GLN  12          2HG       GLN  12 -14.410  26.477  21.098
   87   2HE2  GLN  12          2HE2      GLN  12 -16.156  27.984  22.927
   88   1HE2  GLN  12          1HE2      GLN  12 -17.535  27.029  23.186
   89    H    ALA  13           H        ALA  13 -11.403  24.378  24.093
   90    HA   ALA  13           HA       ALA  13 -10.791  26.913  25.179
   91   1HB   ALA  13          1HB       ALA  13  -9.365  25.597  26.696
   92   2HB   ALA  13          2HB       ALA  13  -9.369  24.255  25.553
   93   3HB   ALA  13          3HB       ALA  13 -10.862  24.724  26.368
   94    H    PHE  14           H        PHE  14  -9.106  25.002  22.789
   95    HA   PHE  14           HA       PHE  14  -6.627  26.599  23.001
   96   1HB   PHE  14          1HB       PHE  14  -7.424  24.478  20.992
   97   2HB   PHE  14          2HB       PHE  14  -5.795  24.961  21.454
   98    HD1  PHE  14           HD1      PHE  14  -6.390  25.230  24.464
   99    HD2  PHE  14           HD2      PHE  14  -7.233  22.143  21.599
  100    HE1  PHE  14           HE1      PHE  14  -6.402  23.544  26.283
  101    HE2  PHE  14           HE2      PHE  14  -7.244  20.457  23.418
  102    HZ   PHE  14           HZ       PHE  14  -6.828  21.158  25.761
  103    H    MET  15           H        MET  15  -9.460  27.538  21.926
  104    HA   MET  15           HA       MET  15  -8.689  28.334  19.182
  105   1HB   MET  15          1HB       MET  15 -10.999  28.806  18.945
  106   2HB   MET  15          2HB       MET  15 -10.960  27.395  19.992
  107   1HG   MET  15          1HG       MET  15 -11.037  28.986  21.964
  108   2HG   MET  15          2HG       MET  15 -11.343  30.284  20.809
  109   1HE   MET  15          1HE       MET  15 -13.002  30.329  19.144
  110   2HE   MET  15          2HE       MET  15 -13.306  28.683  18.572
  111   3HE   MET  15          3HE       MET  15 -14.624  29.647  19.235
  112    H    LYS  16           H        LYS  16  -7.925  30.378  18.742
  113    HA   LYS  16           HA       LYS  16  -7.919  32.375  20.968
  114   1HB   LYS  16          1HB       LYS  16  -5.748  31.692  20.089
  115   2HB   LYS  16          2HB       LYS  16  -6.271  32.041  18.441
  116   1HG   LYS  16          1HG       LYS  16  -6.580  34.429  19.079
  117   2HG   LYS  16          2HG       LYS  16  -5.968  34.057  20.689
  118   1HD   LYS  16          1HD       LYS  16  -3.856  33.215  19.619
  119   2HD   LYS  16          2HD       LYS  16  -4.469  33.789  18.068
  120   1HE   LYS  16          1HE       LYS  16  -2.958  35.461  19.150
  121   2HE   LYS  16          2HE       LYS  16  -4.606  36.092  18.973
  122   1HZ   LYS  16          1HZ       LYS  16  -3.867  34.556  21.378
  123   2HZ   LYS  16          2HZ       LYS  16  -3.442  36.197  21.280
  124   3HZ   LYS  16          3HZ       LYS  16  -5.073  35.738  21.192
  125    H    ASN  17           H        ASN  17 -10.247  32.872  20.356
  126    HA   ASN  17           HA       ASN  17 -11.744  34.447  19.415
  127   1HB   ASN  17          1HB       ASN  17  -9.493  35.754  19.560
  128   2HB   ASN  17          2HB       ASN  17  -9.402  35.481  17.819
  129   2HD2  ASN  17          2HD2      ASN  17 -10.339  37.801  19.948
  130   1HD2  ASN  17          1HD2      ASN  17 -11.609  38.515  19.079
  131    H    GLY  18           H        GLY  18 -11.923  32.010  18.261
  132   1HA   GLY  18          1HA       GLY  18 -12.408  32.683  15.421
  133   2HA   GLY  18          2HA       GLY  18 -13.021  31.261  16.264
  134    H    LYS  19           H        LYS  19  -9.656  32.213  16.486
  135    HA   LYS  19           HA       LYS  19  -8.802  30.298  14.406
  136   1HB   LYS  19          1HB       LYS  19  -7.798  32.606  15.010
  137   2HB   LYS  19          2HB       LYS  19  -7.089  31.788  16.403
  138   1HG   LYS  19          1HG       LYS  19  -6.750  30.471  13.752
  139   2HG   LYS  19          2HG       LYS  19  -5.823  31.945  14.033
  140   1HD   LYS  19          1HD       LYS  19  -4.978  30.954  16.166
  141   2HD   LYS  19          2HD       LYS  19  -5.826  29.459  15.774
  142   1HE   LYS  19          1HE       LYS  19  -3.555  29.163  15.019
  143   2HE   LYS  19          2HE       LYS  19  -4.511  29.477  13.560
  144   1HZ   LYS  19          1HZ       LYS  19  -3.387  31.723  15.105
  145   2HZ   LYS  19          2HZ       LYS  19  -2.394  30.885  14.010
  146   3HZ   LYS  19          3HZ       LYS  19  -3.802  31.662  13.462
  147    H    LEU  20           H        LEU  20  -7.557  28.391  14.900
  148    HA   LEU  20           HA       LEU  20  -7.734  27.501  17.763
  149   1HB   LEU  20          1HB       LEU  20  -9.372  26.307  16.515
  150   2HB   LEU  20          2HB       LEU  20  -8.289  26.106  15.139
  151    HG   LEU  20           HG       LEU  20  -6.801  24.706  16.632
  152   1HD1  LEU  20          1HD1      LEU  20  -8.965  25.441  18.522
  153   2HD1  LEU  20          2HD1      LEU  20  -8.444  23.757  18.576
  154   3HD1  LEU  20          3HD1      LEU  20  -7.276  25.052  18.843
  155   1HD2  LEU  20          1HD2      LEU  20  -8.622  23.837  15.031
  156   2HD2  LEU  20          2HD2      LEU  20  -8.072  22.727  16.286
  157   3HD2  LEU  20          3HD2      LEU  20  -9.603  23.583  16.476
  158    H    PHE  21           H        PHE  21  -5.682  27.271  18.568
  159    HA   PHE  21           HA       PHE  21  -3.452  26.706  16.675
  160   1HB   PHE  21          1HB       PHE  21  -2.132  27.190  18.875
  161   2HB   PHE  21          2HB       PHE  21  -2.938  28.531  18.069
  162    HD1  PHE  21           HD1      PHE  21  -3.148  26.148  20.904
  163    HD2  PHE  21           HD2      PHE  21  -4.807  29.659  19.067
  164    HE1  PHE  21           HE1      PHE  21  -4.456  26.607  22.961
  165    HE2  PHE  21           HE2      PHE  21  -6.113  30.118  21.123
  166    HZ   PHE  21           HZ       PHE  21  -5.938  28.593  23.071
  167    H    CYS  22           H        CYS  22  -4.584  24.451  16.587
  168    HA   CYS  22           HA       CYS  22  -4.664  22.566  18.631
  169   1HB   CYS  22          1HB       CYS  22  -4.882  22.630  15.881
  170   2HB   CYS  22          2HB       CYS  22  -3.489  21.577  16.125
  171    HA   PRO  23           HA       PRO  23   0.008  21.507  17.789
  172   1HB   PRO  23          1HB       PRO  23   1.247  23.948  16.897
  173   2HB   PRO  23          2HB       PRO  23   1.141  22.403  16.049
  174   1HG   PRO  23          1HG       PRO  23  -0.256  24.833  15.451
  175   2HG   PRO  23          2HG       PRO  23  -0.389  23.278  14.626
  176   1HD   PRO  23          1HD       PRO  23  -2.312  24.546  16.366
  177   2HD   PRO  23          2HD       PRO  23  -2.476  23.000  15.503
  178    H    GLN  24           H        GLN  24  -0.540  21.758  20.125
  179    HA   GLN  24           HA       GLN  24   0.668  24.203  21.372
  180   1HB   GLN  24          1HB       GLN  24  -1.616  24.051  21.969
  181   2HB   GLN  24          2HB       GLN  24  -1.550  22.294  22.104
  182   1HG   GLN  24          1HG       GLN  24  -0.298  22.409  24.145
  183   2HG   GLN  24          2HG       GLN  24   0.003  24.133  23.941
  184   2HE2  GLN  24          2HE2      GLN  24  -2.850  21.913  24.092
  185   1HE2  GLN  24          1HE2      GLN  24  -3.793  22.959  25.038
  186    H    ASP  25           H        ASP  25  -0.045  21.013  22.729
  187    HA   ASP  25           HA       ASP  25   2.882  20.560  23.171
  188   1HB   ASP  25          1HB       ASP  25   0.592  20.742  25.105
  189   2HB   ASP  25          2HB       ASP  25   1.924  19.646  25.472
  190    H    LYS  26           H        LYS  26   1.918  19.222  21.131
  191    HA   LYS  26           HA       LYS  26   0.298  16.947  21.437
  192   1HB   LYS  26          1HB       LYS  26   2.614  17.746  19.706
  193   2HB   LYS  26          2HB       LYS  26   1.972  16.109  19.566
  194   1HG   LYS  26          1HG       LYS  26  -0.314  17.099  19.249
  195   2HG   LYS  26          2HG       LYS  26   0.427  18.699  19.233
  196   1HD   LYS  26          1HD       LYS  26   1.953  17.723  17.364
  197   2HD   LYS  26          2HD       LYS  26   0.725  16.463  17.233
  198   1HE   LYS  26          1HE       LYS  26  -0.980  18.062  16.670
  199   2HE   LYS  26          2HE       LYS  26   0.064  19.425  17.118
  200   1HZ   LYS  26          1HZ       LYS  26   1.093  17.493  15.174
  201   2HZ   LYS  26          2HZ       LYS  26  -0.105  18.568  14.633
  202   3HZ   LYS  26          3HZ       LYS  26   1.347  19.170  15.269
  203    H    LYS  27           H        LYS  27   3.428  17.521  22.799
  204    HA   LYS  27           HA       LYS  27   4.727  15.101  22.975
  205   1HB   LYS  27          1HB       LYS  27   4.126  17.284  24.959
  206   2HB   LYS  27          2HB       LYS  27   5.100  15.897  25.446
  207   1HG   LYS  27          1HG       LYS  27   6.626  16.331  23.529
  208   2HG   LYS  27          2HG       LYS  27   5.675  17.760  23.123
  209   1HD   LYS  27          1HD       LYS  27   6.139  18.650  25.423
  210   2HD   LYS  27          2HD       LYS  27   7.208  17.274  25.694
  211   1HE   LYS  27          1HE       LYS  27   8.476  17.998  23.598
  212   2HE   LYS  27          2HE       LYS  27   7.534  19.500  23.659
  213   1HZ   LYS  27          1HZ       LYS  27   8.833  18.481  26.100
  214   2HZ   LYS  27          2HZ       LYS  27   9.762  19.335  24.963
  215   3HZ   LYS  27          3HZ       LYS  27   8.420  20.075  25.695
  216    H    PHE  28           H        PHE  28   1.608  15.898  24.381
  217    HA   PHE  28           HA       PHE  28   1.288  13.947  26.365
  218   1HB   PHE  28          1HB       PHE  28  -0.686  14.855  24.243
  219   2HB   PHE  28          2HB       PHE  28  -1.104  14.167  25.811
  220    HD1  PHE  28           HD1      PHE  28   0.728  15.429  27.667
  221    HD2  PHE  28           HD2      PHE  28  -1.278  17.124  24.268
  222    HE1  PHE  28           HE1      PHE  28   0.885  17.681  28.696
  223    HE2  PHE  28           HE2      PHE  28  -1.120  19.376  25.296
  224    HZ   PHE  28           HZ       PHE  28  -0.039  19.653  27.511
  225    H    PHE  29           H        PHE  29   1.638  13.502  22.931
  226    HA   PHE  29           HA       PHE  29   0.317  11.155  22.300
  227   1HB   PHE  29          1HB       PHE  29   1.888  12.522  20.888
  228   2HB   PHE  29          2HB       PHE  29   3.235  11.761  21.732
  229    HD1  PHE  29           HD1      PHE  29   3.254   9.143  21.766
  230    HD2  PHE  29           HD2      PHE  29   0.984  11.501  18.984
  231    HE1  PHE  29           HE1      PHE  29   3.113   7.199  20.233
  232    HE2  PHE  29           HE2      PHE  29   0.842   9.557  17.452
  233    HZ   PHE  29           HZ       PHE  29   1.907   7.406  18.076
  234    H    GLN  30           H        GLN  30   2.955  11.540  24.571
  235    HA   GLN  30           HA       GLN  30   3.781   8.783  24.720
  236   1HB   GLN  30          1HB       GLN  30   4.008  11.273  26.389
  237   2HB   GLN  30          2HB       GLN  30   4.569   9.735  27.046
  238   1HG   GLN  30          1HG       GLN  30   5.732   9.572  24.643
  239   2HG   GLN  30          2HG       GLN  30   5.641  11.329  24.758
  240   2HE2  GLN  30          2HE2      GLN  30   7.271  12.331  25.964
  241   1HE2  GLN  30          1HE2      GLN  30   8.309  11.527  27.038
  242    H    SER  31           H        SER  31   0.841  10.179  25.564
  243    HA   SER  31           HA       SER  31   0.282   7.955  27.491
  244   1HB   SER  31          1HB       SER  31   0.632  10.006  28.746
  245   2HB   SER  31          2HB       SER  31  -0.445  10.895  27.667
  246    HG   SER  31           HG       SER  31  -1.045   8.991  29.632
  247    H    LEU  32           H        LEU  32  -2.002   7.314  27.511
  248    HA   LEU  32           HA       LEU  32  -3.249   7.128  24.978
  249   1HB   LEU  32          1HB       LEU  32  -3.593   5.836  27.192
  250   2HB   LEU  32          2HB       LEU  32  -4.704   7.138  27.621
  251    HG   LEU  32           HG       LEU  32  -5.831   5.169  26.535
  252   1HD1  LEU  32          1HD1      LEU  32  -6.593   7.635  26.403
  253   2HD1  LEU  32          2HD1      LEU  32  -5.988   7.596  24.746
  254   3HD1  LEU  32          3HD1      LEU  32  -7.289   6.509  25.236
  255   1HD2  LEU  32          1HD2      LEU  32  -3.828   4.797  24.966
  256   2HD2  LEU  32          2HD2      LEU  32  -5.432   4.649  24.248
  257   3HD2  LEU  32          3HD2      LEU  32  -4.486   6.117  24.000
  258    H    ASP  33           H        ASP  33  -3.987   9.334  27.686
  259    HA   ASP  33           HA       ASP  33  -6.127  10.759  26.517
  260   1HB   ASP  33          1HB       ASP  33  -3.865  11.635  28.345
  261   2HB   ASP  33          2HB       ASP  33  -5.326  12.582  28.067
  262    H    GLY  34           H        GLY  34  -2.622  11.170  26.172
  263   1HA   GLY  34          1HA       GLY  34  -1.383  12.489  24.665
  264   2HA   GLY  34          2HA       GLY  34  -2.805  13.516  24.492
  265    H    ILE  35           H        ILE  35  -2.217  10.068  23.820
  266    HA   ILE  35           HA       ILE  35  -2.166  10.173  21.003
  267    HB   ILE  35           HB       ILE  35  -3.057   8.164  23.069
  268   1HG1  ILE  35          1HG1      ILE  35  -0.652   8.610  22.767
  269   2HG1  ILE  35          2HG1      ILE  35  -1.053   6.978  22.231
  270   1HG2  ILE  35          1HG2      ILE  35  -3.044   7.754  20.061
  271   2HG2  ILE  35          2HG2      ILE  35  -3.287   6.489  21.265
  272   3HG2  ILE  35          3HG2      ILE  35  -4.479   7.777  21.087
  273   1HD1  ILE  35          1HD1      ILE  35  -1.448   8.684  19.999
  274   2HD1  ILE  35          2HD1      ILE  35   0.102   9.136  20.712
  275   3HD1  ILE  35          3HD1      ILE  35  -0.186   7.470  20.212
  276    H    MET  36           H        MET  36  -4.882  10.300  23.255
  277    HA   MET  36           HA       MET  36  -6.941  10.001  21.211
  278   1HB   MET  36          1HB       MET  36  -6.680  10.397  24.094
  279   2HB   MET  36          2HB       MET  36  -8.013  11.330  23.410
  280   1HG   MET  36          1HG       MET  36  -8.751   9.207  22.228
  281   2HG   MET  36          2HG       MET  36  -7.556   8.341  23.196
  282   1HE   MET  36          1HE       MET  36 -10.602   8.735  22.527
  283   2HE   MET  36          2HE       MET  36 -11.180   7.724  23.859
  284   3HE   MET  36          3HE       MET  36 -11.626   9.428  23.782
  285    H    PHE  37           H        PHE  37  -6.202  12.828  23.300
  286    HA   PHE  37           HA       PHE  37  -7.582  14.753  21.806
  287   1HB   PHE  37          1HB       PHE  37  -6.773  15.966  23.532
  288   2HB   PHE  37          2HB       PHE  37  -5.752  14.603  23.977
  289    HD1  PHE  37           HD1      PHE  37  -3.432  14.424  22.992
  290    HD2  PHE  37           HD2      PHE  37  -5.859  17.937  22.573
  291    HE1  PHE  37           HE1      PHE  37  -1.422  15.740  22.388
  292    HE2  PHE  37           HE2      PHE  37  -3.851  19.252  21.957
  293    HZ   PHE  37           HZ       PHE  37  -1.634  18.144  21.861
  294    H    ILE  38           H        ILE  38  -4.152  13.741  21.401
  295    HA   ILE  38           HA       ILE  38  -3.471  15.417  19.232
  296    HB   ILE  38           HB       ILE  38  -2.743  12.558  19.937
  297   1HG1  ILE  38          1HG1      ILE  38  -1.487  15.268  20.411
  298   2HG1  ILE  38          2HG1      ILE  38  -1.993  14.082  21.614
  299   1HG2  ILE  38          1HG2      ILE  38  -2.312  13.869  17.477
  300   2HG2  ILE  38          2HG2      ILE  38  -0.775  13.953  18.339
  301   3HG2  ILE  38          3HG2      ILE  38  -1.535  12.389  18.042
  302   1HD1  ILE  38          1HD1      ILE  38  -0.208  12.677  20.000
  303   2HD1  ILE  38          2HD1      ILE  38   0.526  14.272  20.159
  304   3HD1  ILE  38          3HD1      ILE  38   0.135  13.334  21.600
  305    H    ASN  39           H        ASN  39  -5.291  12.384  19.318
  306    HA   ASN  39           HA       ASN  39  -5.522  12.111  16.429
  307   1HB   ASN  39          1HB       ASN  39  -6.618  10.865  18.918
  308   2HB   ASN  39          2HB       ASN  39  -7.496  10.584  17.414
  309   2HD2  ASN  39          2HD2      ASN  39  -3.949  10.963  17.829
  310   1HD2  ASN  39          1HD2      ASN  39  -3.561   9.416  17.250
  311    H    LYS  40           H        LYS  40  -7.342  13.708  18.976
  312    HA   LYS  40           HA       LYS  40  -9.649  14.258  17.218
  313   1HB   LYS  40          1HB       LYS  40  -8.848  14.680  20.076
  314   2HB   LYS  40          2HB       LYS  40 -10.150  15.669  19.415
  315   1HG   LYS  40          1HG       LYS  40 -11.422  13.703  18.807
  316   2HG   LYS  40          2HG       LYS  40 -10.076  12.645  19.232
  317   1HD   LYS  40          1HD       LYS  40 -10.534  14.227  21.515
  318   2HD   LYS  40          2HD       LYS  40 -12.134  13.754  20.944
  319   1HE   LYS  40          1HE       LYS  40 -11.299  11.368  20.820
  320   2HE   LYS  40          2HE       LYS  40  -9.813  11.914  21.618
  321   1HZ   LYS  40          1HZ       LYS  40 -12.335  12.809  22.775
  322   2HZ   LYS  40          2HZ       LYS  40 -11.971  11.161  22.969
  323   3HZ   LYS  40          3HZ       LYS  40 -10.898  12.344  23.547
  324    H    CYS  41           H        CYS  41  -6.716  15.815  18.326
  325    HA   CYS  41           HA       CYS  41  -7.139  18.530  18.077
  326   1HB   CYS  41          1HB       CYS  41  -4.970  17.714  18.570
  327   2HB   CYS  41          2HB       CYS  41  -4.940  16.687  17.141
  328    H    ALA  42           H        ALA  42  -5.848  16.780  15.276
  329    HA   ALA  42           HA       ALA  42  -6.733  18.720  13.357
  330   1HB   ALA  42          1HB       ALA  42  -5.123  16.437  13.490
  331   2HB   ALA  42          2HB       ALA  42  -5.388  17.441  12.063
  332   3HB   ALA  42          3HB       ALA  42  -6.386  16.012  12.335
  333    H    THR  43           H        THR  43  -8.219  15.754  14.588
  334    HA   THR  43           HA       THR  43 -10.319  15.600  12.604
  335    HB   THR  43           HB       THR  43 -10.142  14.536  15.442
  336    HG1  THR  43           HG1      THR  43  -8.496  14.054  13.641
  337   1HG2  THR  43          1HG2      THR  43 -12.409  14.454  14.431
  338   2HG2  THR  43          2HG2      THR  43 -11.743  13.570  13.058
  339   3HG2  THR  43          3HG2      THR  43 -11.728  12.843  14.665
  340    H    CYS  44           H        CYS  44  -9.862  17.463  15.513
  341    HA   CYS  44           HA       CYS  44 -12.731  18.120  15.779
  342   1HB   CYS  44          1HB       CYS  44 -10.906  17.773  17.619
  343   2HB   CYS  44          2HB       CYS  44 -10.420  19.420  17.217
  344    H    LYS  45           H        LYS  45  -9.668  19.857  15.102
  345    HA   LYS  45           HA       LYS  45 -10.617  22.428  14.591
  346   1HB   LYS  45          1HB       LYS  45  -8.274  21.910  14.508
  347   2HB   LYS  45          2HB       LYS  45  -8.517  20.709  13.240
  348   1HG   LYS  45          1HG       LYS  45  -9.578  23.010  12.115
  349   2HG   LYS  45          2HG       LYS  45  -8.191  23.616  13.019
  350   1HD   LYS  45          1HD       LYS  45  -6.841  21.733  11.942
  351   2HD   LYS  45          2HD       LYS  45  -8.220  21.489  10.869
  352   1HE   LYS  45          1HE       LYS  45  -8.002  23.681   9.931
  353   2HE   LYS  45          2HE       LYS  45  -6.891  24.194  11.215
  354   1HZ   LYS  45          1HZ       LYS  45  -6.376  21.966   9.310
  355   2HZ   LYS  45          2HZ       LYS  45  -5.728  23.525   9.153
  356   3HZ   LYS  45          3HZ       LYS  45  -5.300  22.559  10.484
  357    H    MET  46           H        MET  46 -10.602  19.627  12.380
  358    HA   MET  46           HA       MET  46 -11.694  20.937  10.093
  359   1HB   MET  46          1HB       MET  46 -12.397  18.531   9.562
  360   2HB   MET  46          2HB       MET  46 -10.687  18.763   9.924
  361   1HG   MET  46          1HG       MET  46 -10.890  17.220  11.553
  362   2HG   MET  46          2HG       MET  46 -11.942  18.343  12.416
  363   1HE   MET  46          1HE       MET  46 -11.706  16.253   9.398
  364   2HE   MET  46          2HE       MET  46 -13.112  15.191   9.354
  365   3HE   MET  46          3HE       MET  46 -13.264  16.864   8.823
  366    H    ILE  47           H        ILE  47 -13.190  19.671  13.018
  367    HA   ILE  47           HA       ILE  47 -15.904  19.528  12.141
  368    HB   ILE  47           HB       ILE  47 -14.809  20.330  14.858
  369   1HG1  ILE  47          1HG1      ILE  47 -13.658  18.327  14.187
  370   2HG1  ILE  47          2HG1      ILE  47 -14.935  17.837  15.297
  371   1HG2  ILE  47          1HG2      ILE  47 -17.449  19.513  13.798
  372   2HG2  ILE  47          2HG2      ILE  47 -16.959  18.714  15.291
  373   3HG2  ILE  47          3HG2      ILE  47 -17.056  20.473  15.224
  374   1HD1  ILE  47          1HD1      ILE  47 -15.192  17.807  12.276
  375   2HD1  ILE  47          2HD1      ILE  47 -14.801  16.393  13.255
  376   3HD1  ILE  47          3HD1      ILE  47 -16.365  17.187  13.440
  377    H    LEU  48           H        LEU  48 -13.936  22.220  13.352
  378    HA   LEU  48           HA       LEU  48 -16.064  24.150  13.545
  379   1HB   LEU  48          1HB       LEU  48 -13.067  24.379  13.114
  380   2HB   LEU  48          2HB       LEU  48 -14.113  25.733  13.545
  381    HG   LEU  48           HG       LEU  48 -14.527  23.425  15.286
  382   1HD1  LEU  48          1HD1      LEU  48 -11.763  24.426  14.781
  383   2HD1  LEU  48          2HD1      LEU  48 -12.226  24.148  16.460
  384   3HD1  LEU  48          3HD1      LEU  48 -12.303  22.827  15.294
  385   1HD2  LEU  48          1HD2      LEU  48 -15.235  25.862  15.584
  386   2HD2  LEU  48          2HD2      LEU  48 -14.470  25.108  16.983
  387   3HD2  LEU  48          3HD2      LEU  48 -13.547  26.207  15.958
  388    H    GLU  49           H        GLU  49 -13.926  23.120  10.908
  389    HA   GLU  49           HA       GLU  49 -14.382  25.202   9.045
  390   1HB   GLU  49          1HB       GLU  49 -14.063  22.205   8.666
  391   2HB   GLU  49          2HB       GLU  49 -13.855  23.403   7.387
  392   1HG   GLU  49          1HG       GLU  49 -12.118  24.513   8.894
  393   2HG   GLU  49          2HG       GLU  49 -12.200  23.066   9.899
  394    H    LYS  50           H        LYS  50 -16.556  22.812  10.276
  395    HA   LYS  50           HA       LYS  50 -18.445  23.038   8.009
  396   1HB   LYS  50          1HB       LYS  50 -18.730  21.647  10.691
  397   2HB   LYS  50          2HB       LYS  50 -19.640  21.313   9.219
  398   1HG   LYS  50          1HG       LYS  50 -16.650  21.106   9.133
  399   2HG   LYS  50          2HG       LYS  50 -17.568  19.804   9.887
  400   1HD   LYS  50          1HD       LYS  50 -18.992  19.742   7.784
  401   2HD   LYS  50          2HD       LYS  50 -17.815  20.831   7.049
  402   1HE   LYS  50          1HE       LYS  50 -16.020  19.127   7.650
  403   2HE   LYS  50          2HE       LYS  50 -17.335  18.016   8.078
  404   1HZ   LYS  50          1HZ       LYS  50 -18.299  18.680   5.818
  405   2HZ   LYS  50          2HZ       LYS  50 -16.747  19.258   5.456
  406   3HZ   LYS  50          3HZ       LYS  50 -16.975  17.614   5.818
  407    H    GLU  51           H        GLU  51 -17.971  24.304  11.252
  408    HA   GLU  51           HA       GLU  51 -20.655  25.266  11.696
  409   1HB   GLU  51          1HB       GLU  51 -17.917  26.034  12.747
  410   2HB   GLU  51          2HB       GLU  51 -19.421  26.683  13.402
  411   1HG   GLU  51          1HG       GLU  51 -20.184  24.352  13.858
  412   2HG   GLU  51          2HG       GLU  51 -18.624  23.756  13.290
  413    H    ALA  52           H        ALA  52 -17.887  26.521   9.937
  414    HA   ALA  52           HA       ALA  52 -18.920  29.252   9.740
  415   1HB   ALA  52          1HB       ALA  52 -16.543  27.722   9.127
  416   2HB   ALA  52          2HB       ALA  52 -16.999  28.705   7.735
  417   3HB   ALA  52          3HB       ALA  52 -16.714  29.469   9.300
  418    H    LYS  53           H        LYS  53 -19.788  30.197   7.798
  419    HA   LYS  53           HA       LYS  53 -21.572  28.520   6.280
  420   1HB   LYS  53          1HB       LYS  53 -21.866  30.939   6.845
  421   2HB   LYS  53          2HB       LYS  53 -20.552  31.327   5.734
  422   1HG   LYS  53          1HG       LYS  53 -21.857  30.194   3.906
  423   2HG   LYS  53          2HG       LYS  53 -23.198  30.021   5.037
  424   1HD   LYS  53          1HD       LYS  53 -23.092  32.535   5.378
  425   2HD   LYS  53          2HD       LYS  53 -21.963  32.594   4.024
  426   1HE   LYS  53          1HE       LYS  53 -23.677  31.489   2.581
  427   2HE   LYS  53          2HE       LYS  53 -24.816  31.545   3.941
  428   1HZ   LYS  53          1HZ       LYS  53 -23.355  33.944   2.989
  429   2HZ   LYS  53          2HZ       LYS  53 -24.868  33.506   2.352
  430   3HZ   LYS  53          3HZ       LYS  53 -24.714  33.882   4.002
  431    H    SER  54           H        SER  54 -18.233  29.027   5.997
  432    HA   SER  54           HA       SER  54 -17.960  28.994   3.110
  433   1HB   SER  54          1HB       SER  54 -15.606  28.636   3.662
  434   2HB   SER  54          2HB       SER  54 -16.284  29.814   4.787
  435    HG   SER  54           HG       SER  54 -15.062  27.620   5.409
  436    H    GLN  55           H        GLN  55 -18.952  26.629   5.320
  437    HA   GLN  55           HA       GLN  55 -17.704  24.253   4.375
  438   1HB   GLN  55          1HB       GLN  55 -19.081  24.479   6.418
  439   2HB   GLN  55          2HB       GLN  55 -20.513  24.745   5.421
  440   1HG   GLN  55          1HG       GLN  55 -20.151  22.503   4.381
  441   2HG   GLN  55          2HG       GLN  55 -18.804  22.239   5.488
  442   2HE2  GLN  55          2HE2      GLN  55 -21.026  20.495   5.593
  443   1HE2  GLN  55          1HE2      GLN  55 -21.886  20.767   7.031

  No H/Q in entry =         443
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -26.804  22.599  24.293
    2    H2   LYS   1           H2       LYS   1 -25.267  23.120  24.785
    3    H3   LYS   1           H3       LYS   1 -26.603  24.160  24.932
    4    HA   LYS   1           HA       LYS   1 -26.640  24.689  22.719
    5   1HB   LYS   1          1HB       LYS   1 -23.797  23.845  23.370
    6   2HB   LYS   1          2HB       LYS   1 -24.246  24.977  22.093
    7   1HG   LYS   1          1HG       LYS   1 -25.277  26.462  23.782
    8   2HG   LYS   1          2HG       LYS   1 -24.808  25.335  25.055
    9   1HD   LYS   1          1HD       LYS   1 -22.421  25.630  24.379
   10   2HD   LYS   1          2HD       LYS   1 -22.934  26.838  23.202
   11   1HE   LYS   1          1HE       LYS   1 -23.852  28.241  25.003
   12   2HE   LYS   1          2HE       LYS   1 -23.411  27.011  26.202
   13   1HZ   LYS   1          1HZ       LYS   1 -21.470  28.214  24.299
   14   2HZ   LYS   1          2HZ       LYS   1 -21.717  28.818  25.866
   15   3HZ   LYS   1          3HZ       LYS   1 -21.127  27.239  25.648
   16    H    ASN   2           H        ASN   2 -25.346  24.006  20.490
   17    HA   ASN   2           HA       ASN   2 -26.330  21.277  19.911
   18   1HB   ASN   2          1HB       ASN   2 -25.177  23.520  18.223
   19   2HB   ASN   2          2HB       ASN   2 -25.835  22.021  17.570
   20   2HD2  ASN   2          2HD2      ASN   2 -26.884  24.829  17.239
   21   1HD2  ASN   2          1HD2      ASN   2 -28.478  24.783  17.821
   22    H    GLU   3           H        GLU   3 -24.977  19.548  19.410
   23    HA   GLU   3           HA       GLU   3 -22.166  19.731  20.170
   24   1HB   GLU   3          1HB       GLU   3 -23.702  17.789  20.566
   25   2HB   GLU   3          2HB       GLU   3 -23.738  17.509  18.826
   26   1HG   GLU   3          1HG       GLU   3 -21.302  17.175  18.815
   27   2HG   GLU   3          2HG       GLU   3 -21.239  17.499  20.548
   28    H    ASP   4           H        ASP   4 -23.934  20.169  17.247
   29    HA   ASP   4           HA       ASP   4 -21.801  19.382  15.409
   30   1HB   ASP   4          1HB       ASP   4 -24.395  19.514  15.122
   31   2HB   ASP   4          2HB       ASP   4 -24.108  21.226  14.809
   32    H    GLN   5           H        GLN   5 -21.918  21.843  17.570
   33    HA   GLN   5           HA       GLN   5 -20.560  23.790  15.731
   34   1HB   GLN   5          1HB       GLN   5 -22.694  24.533  16.757
   35   2HB   GLN   5          2HB       GLN   5 -22.032  24.204  18.357
   36   1HG   GLN   5          1HG       GLN   5 -20.163  25.825  17.810
   37   2HG   GLN   5          2HG       GLN   5 -21.062  26.263  16.357
   38   2HE2  GLN   5          2HE2      GLN   5 -20.694  26.992  19.670
   39   1HE2  GLN   5          1HE2      GLN   5 -22.120  27.889  19.877
   40    H    GLU   6           H        GLU   6 -20.372  21.943  18.694
   41    HA   GLU   6           HA       GLU   6 -17.499  22.716  18.960
   42   1HB   GLU   6          1HB       GLU   6 -19.643  22.757  21.112
   43   2HB   GLU   6          2HB       GLU   6 -17.918  22.946  21.430
   44   1HG   GLU   6          1HG       GLU   6 -17.865  24.933  19.963
   45   2HG   GLU   6          2HG       GLU   6 -19.589  24.743  19.643
   46    H    MET   7           H        MET   7 -18.514  20.324  17.854
   47    HA   MET   7           HA       MET   7 -19.065  18.104  19.368
   48   1HB   MET   7          1HB       MET   7 -17.037  18.491  17.149
   49   2HB   MET   7          2HB       MET   7 -17.568  16.904  17.705
   50   1HG   MET   7          1HG       MET   7 -19.925  17.562  17.206
   51   2HG   MET   7          2HG       MET   7 -19.328  19.089  16.552
   52   1HE   MET   7          1HE       MET   7 -19.030  15.489  16.742
   53   2HE   MET   7          2HE       MET   7 -20.085  15.249  15.351
   54   3HE   MET   7          3HE       MET   7 -18.367  14.881  15.218
   55    H    CYS   8           H        CYS   8 -15.987  19.847  19.295
   56    HA   CYS   8           HA       CYS   8 -14.818  17.869  21.209
   57   1HB   CYS   8          1HB       CYS   8 -13.705  20.004  19.374
   58   2HB   CYS   8          2HB       CYS   8 -12.706  19.171  20.566
   59    H    HIS   9           H        HIS   9 -15.169  18.468  23.317
   60    HA   HIS   9           HA       HIS   9 -15.486  21.317  24.043
   61   1HB   HIS   9          1HB       HIS   9 -15.597  18.718  25.609
   62   2HB   HIS   9          2HB       HIS   9 -16.034  20.299  26.255
   63    HD1  HIS   9           HD1      HIS   9 -17.157  17.709  23.753
   64    HD2  HIS   9           HD2      HIS   9 -18.548  21.274  25.407
   65    HE1  HIS   9           HE1      HIS   9 -19.575  17.936  23.035
   66    H    GLU  10           H        GLU  10 -12.988  18.959  23.914
   67    HA   GLU  10           HA       GLU  10 -11.371  20.132  26.080
   68   1HB   GLU  10          1HB       GLU  10 -10.894  18.012  23.963
   69   2HB   GLU  10          2HB       GLU  10  -9.744  18.403  25.240
   70   1HG   GLU  10          1HG       GLU  10 -11.405  17.815  26.947
   71   2HG   GLU  10          2HG       GLU  10 -12.600  17.483  25.693
   72    H    PHE  11           H        PHE  11 -11.394  20.082  22.517
   73    HA   PHE  11           HA       PHE  11  -8.971  21.730  22.327
   74   1HB   PHE  11          1HB       PHE  11 -11.028  20.620  20.424
   75   2HB   PHE  11          2HB       PHE  11  -9.747  21.688  19.867
   76    HD1  PHE  11           HD1      PHE  11  -7.333  21.037  20.259
   77    HD2  PHE  11           HD2      PHE  11 -10.592  18.313  20.897
   78    HE1  PHE  11           HE1      PHE  11  -5.755  19.130  20.174
   79    HE2  PHE  11           HE2      PHE  11  -9.013  16.406  20.811
   80    HZ   PHE  11           HZ       PHE  11  -6.594  16.815  20.452
   81    H    GLN  12           H        GLN  12 -12.457  22.213  22.341
   82    HA   GLN  12           HA       GLN  12 -12.809  24.669  21.085
   83   1HB   GLN  12          1HB       GLN  12 -14.575  23.353  22.187
   84   2HB   GLN  12          2HB       GLN  12 -13.883  23.724  23.765
   85   1HG   GLN  12          1HG       GLN  12 -14.149  26.228  22.897
   86   2HG   GLN  12          2HG       GLN  12 -15.400  25.497  21.892
   87   2HE2  GLN  12          2HE2      GLN  12 -16.579  27.140  23.580
   88   1HE2  GLN  12          1HE2      GLN  12 -17.198  26.375  24.962
   89    H    ALA  13           H        ALA  13 -11.552  24.105  24.380
   90    HA   ALA  13           HA       ALA  13 -11.211  26.847  25.110
   91   1HB   ALA  13          1HB       ALA  13  -9.399  25.693  26.613
   92   2HB   ALA  13          2HB       ALA  13 -11.090  25.237  26.823
   93   3HB   ALA  13          3HB       ALA  13 -10.006  24.199  25.897
   94    H    PHE  14           H        PHE  14  -9.470  24.819  22.891
   95    HA   PHE  14           HA       PHE  14  -7.018  26.463  22.982
   96   1HB   PHE  14          1HB       PHE  14  -7.916  24.190  21.184
   97   2HB   PHE  14          2HB       PHE  14  -6.278  24.821  21.305
   98    HD1  PHE  14           HD1      PHE  14  -6.951  25.295  24.488
   99    HD2  PHE  14           HD2      PHE  14  -6.841  21.961  21.786
  100    HE1  PHE  14           HE1      PHE  14  -6.510  23.767  26.391
  101    HE2  PHE  14           HE2      PHE  14  -6.402  20.433  23.682
  102    HZ   PHE  14           HZ       PHE  14  -6.236  21.334  25.989
  103    H    MET  15           H        MET  15  -9.885  27.326  21.938
  104    HA   MET  15           HA       MET  15  -9.089  28.155  19.192
  105   1HB   MET  15          1HB       MET  15 -11.440  28.379  18.846
  106   2HB   MET  15          2HB       MET  15 -11.249  26.916  19.802
  107   1HG   MET  15          1HG       MET  15 -11.551  28.492  21.851
  108   2HG   MET  15          2HG       MET  15 -12.215  29.630  20.681
  109   1HE   MET  15          1HE       MET  15 -13.781  29.257  19.110
  110   2HE   MET  15          2HE       MET  15 -14.045  27.592  18.574
  111   3HE   MET  15          3HE       MET  15 -15.322  28.461  19.422
  112    H    LYS  16           H        LYS  16  -8.158  30.167  19.101
  113    HA   LYS  16           HA       LYS  16  -8.740  32.168  21.213
  114   1HB   LYS  16          1HB       LYS  16  -6.423  31.672  20.508
  115   2HB   LYS  16          2HB       LYS  16  -6.826  32.131  18.855
  116   1HG   LYS  16          1HG       LYS  16  -7.689  34.300  20.373
  117   2HG   LYS  16          2HG       LYS  16  -6.174  33.827  21.142
  118   1HD   LYS  16          1HD       LYS  16  -5.209  33.735  18.745
  119   2HD   LYS  16          2HD       LYS  16  -6.646  34.641  18.273
  120   1HE   LYS  16          1HE       LYS  16  -6.058  36.490  19.683
  121   2HE   LYS  16          2HE       LYS  16  -4.813  35.543  20.518
  122   1HZ   LYS  16          1HZ       LYS  16  -4.774  35.947  17.582
  123   2HZ   LYS  16          2HZ       LYS  16  -4.039  37.058  18.638
  124   3HZ   LYS  16          3HZ       LYS  16  -3.505  35.446  18.591
  125    H    ASN  17           H        ASN  17 -10.943  32.689  20.541
  126    HA   ASN  17           HA       ASN  17 -12.526  33.990  19.372
  127   1HB   ASN  17          1HB       ASN  17  -9.963  35.213  18.300
  128   2HB   ASN  17          2HB       ASN  17 -11.553  35.972  18.273
  129   2HD2  ASN  17          2HD2      ASN  17  -8.811  36.391  19.857
  130   1HD2  ASN  17          1HD2      ASN  17  -9.361  36.688  21.435
  131    H    GLY  18           H        GLY  18 -12.213  31.541  18.214
  132   1HA   GLY  18          1HA       GLY  18 -12.579  32.175  15.351
  133   2HA   GLY  18          2HA       GLY  18 -13.007  30.656  16.134
  134    H    LYS  19           H        LYS  19  -9.883  31.806  16.950
  135    HA   LYS  19           HA       LYS  19  -8.552  30.351  14.731
  136   1HB   LYS  19          1HB       LYS  19  -7.924  32.654  15.719
  137   2HB   LYS  19          2HB       LYS  19  -7.281  31.748  17.089
  138   1HG   LYS  19          1HG       LYS  19  -6.487  31.215  14.213
  139   2HG   LYS  19          2HG       LYS  19  -5.579  32.274  15.292
  140   1HD   LYS  19          1HD       LYS  19  -5.448  30.317  16.914
  141   2HD   LYS  19          2HD       LYS  19  -6.089  29.306  15.617
  142   1HE   LYS  19          1HE       LYS  19  -3.702  31.056  15.068
  143   2HE   LYS  19          2HE       LYS  19  -3.483  29.500  15.892
  144   1HZ   LYS  19          1HZ       LYS  19  -5.008  28.590  14.083
  145   2HZ   LYS  19          2HZ       LYS  19  -4.694  30.031  13.239
  146   3HZ   LYS  19          3HZ       LYS  19  -3.421  28.973  13.622
  147    H    LEU  20           H        LEU  20  -8.631  28.136  15.113
  148    HA   LEU  20           HA       LEU  20  -8.290  27.057  17.836
  149   1HB   LEU  20          1HB       LEU  20  -9.870  25.954  16.439
  150   2HB   LEU  20          2HB       LEU  20  -8.766  25.951  15.063
  151    HG   LEU  20           HG       LEU  20  -7.252  24.425  16.356
  152   1HD1  LEU  20          1HD1      LEU  20  -9.580  24.516  18.293
  153   2HD1  LEU  20          2HD1      LEU  20  -8.342  23.259  18.326
  154   3HD1  LEU  20          3HD1      LEU  20  -7.900  24.941  18.618
  155   1HD2  LEU  20          1HD2      LEU  20  -9.169  23.704  14.754
  156   2HD2  LEU  20          2HD2      LEU  20  -8.462  22.478  15.807
  157   3HD2  LEU  20          3HD2      LEU  20 -10.010  23.213  16.225
  158    H    PHE  21           H        PHE  21  -6.188  27.050  18.602
  159    HA   PHE  21           HA       PHE  21  -3.970  26.529  16.678
  160   1HB   PHE  21          1HB       PHE  21  -2.627  27.169  18.818
  161   2HB   PHE  21          2HB       PHE  21  -3.527  28.435  17.988
  162    HD1  PHE  21           HD1      PHE  21  -3.495  26.178  20.925
  163    HD2  PHE  21           HD2      PHE  21  -5.464  29.465  18.984
  164    HE1  PHE  21           HE1      PHE  21  -4.773  26.636  22.999
  165    HE2  PHE  21           HE2      PHE  21  -6.744  29.921  21.059
  166    HZ   PHE  21           HZ       PHE  21  -6.398  28.508  23.066
  167    H    CYS  22           H        CYS  22  -4.936  24.220  16.674
  168    HA   CYS  22           HA       CYS  22  -4.894  22.413  18.800
  169   1HB   CYS  22          1HB       CYS  22  -5.182  22.364  16.062
  170   2HB   CYS  22          2HB       CYS  22  -3.715  21.414  16.296
  171    HA   PRO  23           HA       PRO  23  -0.186  21.600  17.900
  172   1HB   PRO  23          1HB       PRO  23   0.892  24.068  16.883
  173   2HB   PRO  23          2HB       PRO  23   0.856  22.487  16.098
  174   1HG   PRO  23          1HG       PRO  23  -0.682  24.806  15.432
  175   2HG   PRO  23          2HG       PRO  23  -0.762  23.208  14.685
  176   1HD   PRO  23          1HD       PRO  23  -2.687  24.468  16.439
  177   2HD   PRO  23          2HD       PRO  23  -2.816  22.892  15.626
  178    H    GLN  24           H        GLN  24  -0.942  22.057  20.238
  179    HA   GLN  24           HA       GLN  24   0.335  24.531  21.341
  180   1HB   GLN  24          1HB       GLN  24  -1.904  24.526  22.006
  181   2HB   GLN  24          2HB       GLN  24  -1.983  22.767  22.065
  182   1HG   GLN  24          1HG       GLN  24  -0.615  22.751  24.104
  183   2HG   GLN  24          2HG       GLN  24  -0.464  24.506  24.034
  184   2HE2  GLN  24          2HE2      GLN  24  -3.080  22.014  24.022
  185   1HE2  GLN  24          1HE2      GLN  24  -4.137  22.908  25.003
  186    H    ASP  25           H        ASP  25  -0.022  21.034  21.826
  187    HA   ASP  25           HA       ASP  25   2.728  20.698  22.677
  188   1HB   ASP  25          1HB       ASP  25   1.724  21.838  24.645
  189   2HB   ASP  25          2HB       ASP  25   0.516  20.558  24.755
  190    H    LYS  26           H        LYS  26   1.645  19.308  20.723
  191    HA   LYS  26           HA       LYS  26  -0.020  17.089  21.207
  192   1HB   LYS  26          1HB       LYS  26   2.241  17.709  19.319
  193   2HB   LYS  26          2HB       LYS  26   1.436  16.142  19.251
  194   1HG   LYS  26          1HG       LYS  26  -0.720  17.214  18.888
  195   2HG   LYS  26          2HG       LYS  26   0.000  18.810  19.105
  196   1HD   LYS  26          1HD       LYS  26   1.530  18.244  17.143
  197   2HD   LYS  26          2HD       LYS  26   0.494  16.846  16.855
  198   1HE   LYS  26          1HE       LYS  26  -1.457  18.312  16.568
  199   2HE   LYS  26          2HE       LYS  26  -0.462  19.733  16.939
  200   1HZ   LYS  26          1HZ       LYS  26   1.060  18.773  15.104
  201   2HZ   LYS  26          2HZ       LYS  26  -0.321  17.920  14.611
  202   3HZ   LYS  26          3HZ       LYS  26  -0.338  19.619  14.639
  203    H    LYS  27           H        LYS  27   3.182  17.641  22.375
  204    HA   LYS  27           HA       LYS  27   4.469  15.220  22.537
  205   1HB   LYS  27          1HB       LYS  27   3.937  17.334  24.636
  206   2HB   LYS  27          2HB       LYS  27   5.094  16.029  24.882
  207   1HG   LYS  27          1HG       LYS  27   6.236  16.731  22.754
  208   2HG   LYS  27          2HG       LYS  27   5.157  18.124  22.694
  209   1HD   LYS  27          1HD       LYS  27   5.989  18.890  24.872
  210   2HD   LYS  27          2HD       LYS  27   7.029  17.470  24.990
  211   1HE   LYS  27          1HE       LYS  27   8.329  18.192  23.063
  212   2HE   LYS  27          2HE       LYS  27   7.209  19.535  22.765
  213   1HZ   LYS  27          1HZ       LYS  27   8.660  19.124  25.327
  214   2HZ   LYS  27          2HZ       LYS  27   9.217  20.150  24.093
  215   3HZ   LYS  27          3HZ       LYS  27   7.744  20.478  24.875
  216    H    PHE  28           H        PHE  28   1.433  16.067  24.100
  217    HA   PHE  28           HA       PHE  28   1.197  14.140  26.118
  218   1HB   PHE  28          1HB       PHE  28  -0.925  14.929  24.095
  219   2HB   PHE  28          2HB       PHE  28  -1.191  14.420  25.761
  220    HD1  PHE  28           HD1      PHE  28   0.910  15.876  27.216
  221    HD2  PHE  28           HD2      PHE  28  -1.620  17.177  23.997
  222    HE1  PHE  28           HE1      PHE  28   1.156  18.226  27.970
  223    HE2  PHE  28           HE2      PHE  28  -1.372  19.529  24.752
  224    HZ   PHE  28           HZ       PHE  28   0.016  20.051  26.738
  225    H    PHE  29           H        PHE  29   1.162  13.709  22.638
  226    HA   PHE  29           HA       PHE  29  -0.117  11.311  22.167
  227   1HB   PHE  29          1HB       PHE  29   1.245  12.789  20.615
  228   2HB   PHE  29          2HB       PHE  29   2.686  11.977  21.225
  229    HD1  PHE  29           HD1      PHE  29  -0.567  11.411  19.502
  230    HD2  PHE  29           HD2      PHE  29   3.308   9.816  20.446
  231    HE1  PHE  29           HE1      PHE  29  -0.949   9.546  17.913
  232    HE2  PHE  29           HE2      PHE  29   2.926   7.951  18.857
  233    HZ   PHE  29           HZ       PHE  29   0.798   7.815  17.590
  234    H    GLN  30           H        GLN  30   2.789  11.776  24.074
  235    HA   GLN  30           HA       GLN  30   3.767   9.082  24.067
  236   1HB   GLN  30          1HB       GLN  30   3.936  11.386  26.029
  237   2HB   GLN  30          2HB       GLN  30   4.880   9.905  26.192
  238   1HG   GLN  30          1HG       GLN  30   5.602  10.376  23.730
  239   2HG   GLN  30          2HG       GLN  30   5.040  12.017  24.050
  240   2HE2  GLN  30          2HE2      GLN  30   6.806  13.297  24.603
  241   1HE2  GLN  30          1HE2      GLN  30   8.084  12.813  25.607
  242    H    SER  31           H        SER  31   0.872  10.324  25.332
  243    HA   SER  31           HA       SER  31   0.647   7.979  27.193
  244   1HB   SER  31          1HB       SER  31  -0.396  10.815  27.495
  245   2HB   SER  31          2HB       SER  31  -0.718   9.499  28.625
  246    HG   SER  31           HG       SER  31   1.133   9.894  29.485
  247    H    LEU  32           H        LEU  32  -1.703   7.367  27.550
  248    HA   LEU  32           HA       LEU  32  -3.075   6.922  25.095
  249   1HB   LEU  32          1HB       LEU  32  -3.187   5.939  27.594
  250   2HB   LEU  32          2HB       LEU  32  -4.574   7.027  27.668
  251    HG   LEU  32           HG       LEU  32  -4.201   5.108  25.367
  252   1HD1  LEU  32          1HD1      LEU  32  -4.194   3.826  27.502
  253   2HD1  LEU  32          2HD1      LEU  32  -5.720   4.594  27.944
  254   3HD1  LEU  32          3HD1      LEU  32  -5.645   3.520  26.546
  255   1HD2  LEU  32          1HD2      LEU  32  -6.558   6.575  26.586
  256   2HD2  LEU  32          2HD2      LEU  32  -5.819   6.882  25.014
  257   3HD2  LEU  32          3HD2      LEU  32  -6.702   5.380  25.297
  258    H    ASP  33           H        ASP  33  -3.939   9.150  27.760
  259    HA   ASP  33           HA       ASP  33  -6.132  10.427  26.537
  260   1HB   ASP  33          1HB       ASP  33  -3.950  11.464  28.379
  261   2HB   ASP  33          2HB       ASP  33  -5.445  12.339  28.049
  262    H    GLY  34           H        GLY  34  -2.661  10.975  26.164
  263   1HA   GLY  34          1HA       GLY  34  -1.487  12.368  24.667
  264   2HA   GLY  34          2HA       GLY  34  -2.968  13.296  24.446
  265    H    ILE  35           H        ILE  35  -2.326   9.840  23.925
  266    HA   ILE  35           HA       ILE  35  -2.137   9.854  21.103
  267    HB   ILE  35           HB       ILE  35  -2.986   7.931  23.245
  268   1HG1  ILE  35          1HG1      ILE  35  -0.606   8.308  22.766
  269   2HG1  ILE  35          2HG1      ILE  35  -1.066   6.667  22.308
  270   1HG2  ILE  35          1HG2      ILE  35  -3.243   7.416  20.264
  271   2HG2  ILE  35          2HG2      ILE  35  -3.303   6.163  21.505
  272   3HG2  ILE  35          3HG2      ILE  35  -4.555   7.405  21.444
  273   1HD1  ILE  35          1HD1      ILE  35  -1.565   8.406  20.082
  274   2HD1  ILE  35          2HD1      ILE  35   0.079   8.690  20.656
  275   3HD1  ILE  35          3HD1      ILE  35  -0.423   7.065  20.188
  276    H    MET  36           H        MET  36  -4.955   9.959  23.243
  277    HA   MET  36           HA       MET  36  -6.907   9.636  21.100
  278   1HB   MET  36          1HB       MET  36  -6.804  10.148  24.009
  279   2HB   MET  36          2HB       MET  36  -8.202  10.838  23.181
  280   1HG   MET  36          1HG       MET  36  -8.773   8.662  22.241
  281   2HG   MET  36          2HG       MET  36  -7.311   7.950  22.925
  282   1HE   MET  36          1HE       MET  36 -10.649   8.498  22.916
  283   2HE   MET  36          2HE       MET  36 -11.326   8.006  24.474
  284   3HE   MET  36          3HE       MET  36 -10.912   9.694  24.183
  285    H    PHE  37           H        PHE  37  -6.288  12.463  23.235
  286    HA   PHE  37           HA       PHE  37  -7.672  14.383  21.773
  287   1HB   PHE  37          1HB       PHE  37  -6.813  15.589  23.478
  288   2HB   PHE  37          2HB       PHE  37  -5.744  14.245  23.870
  289    HD1  PHE  37           HD1      PHE  37  -3.458  14.136  22.859
  290    HD2  PHE  37           HD2      PHE  37  -5.999  17.558  22.391
  291    HE1  PHE  37           HE1      PHE  37  -1.509  15.482  22.143
  292    HE2  PHE  37           HE2      PHE  37  -4.048  18.908  21.668
  293    HZ   PHE  37           HZ       PHE  37  -1.806  17.859  21.541
  294    H    ILE  38           H        ILE  38  -4.240  13.407  21.256
  295    HA   ILE  38           HA       ILE  38  -3.598  15.065  19.090
  296    HB   ILE  38           HB       ILE  38  -2.977  12.149  19.654
  297   1HG1  ILE  38          1HG1      ILE  38  -2.175  13.831  21.302
  298   2HG1  ILE  38          2HG1      ILE  38  -0.845  13.046  20.457
  299   1HG2  ILE  38          1HG2      ILE  38  -2.727  12.815  17.215
  300   2HG2  ILE  38          2HG2      ILE  38  -1.520  13.989  17.741
  301   3HG2  ILE  38          3HG2      ILE  38  -1.242  12.265  17.992
  302   1HD1  ILE  38          1HD1      ILE  38  -0.861  14.988  18.831
  303   2HD1  ILE  38          2HD1      ILE  38  -1.996  15.794  19.913
  304   3HD1  ILE  38          3HD1      ILE  38  -0.369  15.406  20.472
  305    H    ASN  39           H        ASN  39  -5.432  12.019  19.101
  306    HA   ASN  39           HA       ASN  39  -5.812  11.876  16.242
  307   1HB   ASN  39          1HB       ASN  39  -7.273  10.734  18.640
  308   2HB   ASN  39          2HB       ASN  39  -7.628  10.265  16.978
  309   2HD2  ASN  39          2HD2      ASN  39  -6.509   8.507  19.084
  310   1HD2  ASN  39          1HD2      ASN  39  -4.992   7.991  18.521
  311    H    LYS  40           H        LYS  40  -7.605  13.393  18.881
  312    HA   LYS  40           HA       LYS  40  -9.855  14.153  17.140
  313   1HB   LYS  40          1HB       LYS  40  -9.032  14.552  20.014
  314   2HB   LYS  40          2HB       LYS  40 -10.408  15.431  19.345
  315   1HG   LYS  40          1HG       LYS  40 -11.402  13.257  18.631
  316   2HG   LYS  40          2HG       LYS  40 -10.062  12.418  19.413
  317   1HD   LYS  40          1HD       LYS  40 -10.735  13.761  21.528
  318   2HD   LYS  40          2HD       LYS  40 -12.254  14.056  20.681
  319   1HE   LYS  40          1HE       LYS  40 -12.078  11.393  20.293
  320   2HE   LYS  40          2HE       LYS  40 -11.187  11.515  21.822
  321   1HZ   LYS  40          1HZ       LYS  40 -13.113  13.125  22.436
  322   2HZ   LYS  40          2HZ       LYS  40 -13.962  12.310  21.214
  323   3HZ   LYS  40          3HZ       LYS  40 -13.365  11.449  22.551
  324    H    CYS  41           H        CYS  41  -6.859  15.542  18.306
  325    HA   CYS  41           HA       CYS  41  -7.231  18.293  18.132
  326   1HB   CYS  41          1HB       CYS  41  -5.121  17.360  18.749
  327   2HB   CYS  41          2HB       CYS  41  -5.000  16.452  17.247
  328    H    ALA  42           H        ALA  42  -5.824  16.523  15.390
  329    HA   ALA  42           HA       ALA  42  -6.381  18.463  13.412
  330   1HB   ALA  42          1HB       ALA  42  -6.002  15.465  13.391
  331   2HB   ALA  42          2HB       ALA  42  -6.177  16.383  11.896
  332   3HB   ALA  42          3HB       ALA  42  -4.826  16.714  12.980
  333    H    THR  43           H        THR  43  -8.412  15.841  14.656
  334    HA   THR  43           HA       THR  43 -10.462  15.984  12.640
  335    HB   THR  43           HB       THR  43 -10.650  15.164  15.555
  336    HG1  THR  43           HG1      THR  43  -9.813  13.726  13.259
  337   1HG2  THR  43          1HG2      THR  43 -12.358  14.855  13.147
  338   2HG2  THR  43          2HG2      THR  43 -12.198  13.433  14.178
  339   3HG2  THR  43          3HG2      THR  43 -12.815  14.944  14.848
  340    H    CYS  44           H        CYS  44 -10.485  17.216  16.014
  341    HA   CYS  44           HA       CYS  44 -12.865  18.671  15.961
  342   1HB   CYS  44          1HB       CYS  44 -10.206  19.440  17.212
  343   2HB   CYS  44          2HB       CYS  44 -11.790  20.009  17.737
  344    H    LYS  45           H        LYS  45  -9.723  19.541  14.588
  345    HA   LYS  45           HA       LYS  45 -10.210  22.290  14.027
  346   1HB   LYS  45          1HB       LYS  45  -8.020  21.247  13.882
  347   2HB   LYS  45          2HB       LYS  45  -8.584  20.146  12.626
  348   1HG   LYS  45          1HG       LYS  45  -9.222  22.464  11.439
  349   2HG   LYS  45          2HG       LYS  45  -7.892  23.041  12.442
  350   1HD   LYS  45          1HD       LYS  45  -6.486  21.162  11.538
  351   2HD   LYS  45          2HD       LYS  45  -7.802  20.777  10.429
  352   1HE   LYS  45          1HE       LYS  45  -6.072  22.253   9.373
  353   2HE   LYS  45          2HE       LYS  45  -7.656  23.048   9.457
  354   1HZ   LYS  45          1HZ       LYS  45  -5.750  23.256  11.702
  355   2HZ   LYS  45          2HZ       LYS  45  -5.593  24.290  10.363
  356   3HZ   LYS  45          3HZ       LYS  45  -7.019  24.304  11.281
  357    H    MET  46           H        MET  46 -10.772  19.390  11.989
  358    HA   MET  46           HA       MET  46 -11.866  20.800   9.748
  359   1HB   MET  46          1HB       MET  46 -12.535  18.593   9.040
  360   2HB   MET  46          2HB       MET  46 -11.004  18.421   9.894
  361   1HG   MET  46          1HG       MET  46 -11.952  17.034  11.384
  362   2HG   MET  46          2HG       MET  46 -13.169  18.242  11.782
  363   1HE   MET  46          1HE       MET  46 -12.008  15.405   9.645
  364   2HE   MET  46          2HE       MET  46 -13.355  14.959   8.601
  365   3HE   MET  46          3HE       MET  46 -12.435  16.435   8.281
  366    H    ILE  47           H        ILE  47 -13.212  19.893  12.830
  367    HA   ILE  47           HA       ILE  47 -16.001  19.909  12.179
  368    HB   ILE  47           HB       ILE  47 -14.569  20.755  14.721
  369   1HG1  ILE  47          1HG1      ILE  47 -13.753  18.586  14.091
  370   2HG1  ILE  47          2HG1      ILE  47 -14.973  18.323  15.337
  371   1HG2  ILE  47          1HG2      ILE  47 -17.393  19.975  14.042
  372   2HG2  ILE  47          2HG2      ILE  47 -16.754  19.642  15.652
  373   3HG2  ILE  47          3HG2      ILE  47 -16.821  21.301  15.056
  374   1HD1  ILE  47          1HD1      ILE  47 -16.659  17.880  13.575
  375   2HD1  ILE  47          2HD1      ILE  47 -15.417  18.106  12.343
  376   3HD1  ILE  47          3HD1      ILE  47 -15.306  16.754  13.472
  377    H    LEU  48           H        LEU  48 -13.767  22.504  13.177
  378    HA   LEU  48           HA       LEU  48 -15.733  24.608  13.268
  379   1HB   LEU  48          1HB       LEU  48 -12.731  24.433  12.943
  380   2HB   LEU  48          2HB       LEU  48 -13.561  25.989  12.964
  381    HG   LEU  48           HG       LEU  48 -12.845  25.501  15.220
  382   1HD1  LEU  48          1HD1      LEU  48 -15.417  26.109  14.536
  383   2HD1  LEU  48          2HD1      LEU  48 -15.666  24.674  15.533
  384   3HD1  LEU  48          3HD1      LEU  48 -14.823  26.073  16.197
  385   1HD2  LEU  48          1HD2      LEU  48 -12.673  23.006  14.800
  386   2HD2  LEU  48          2HD2      LEU  48 -13.363  23.449  16.361
  387   3HD2  LEU  48          3HD2      LEU  48 -14.417  22.920  15.050
  388    H    GLU  49           H        GLU  49 -13.564  23.387  10.724
  389    HA   GLU  49           HA       GLU  49 -14.021  25.344   8.730
  390   1HB   GLU  49          1HB       GLU  49 -13.593  22.344   8.537
  391   2HB   GLU  49          2HB       GLU  49 -13.370  23.476   7.203
  392   1HG   GLU  49          1HG       GLU  49 -11.926  23.807   9.838
  393   2HG   GLU  49          2HG       GLU  49 -11.263  22.830   8.529
  394    H    LYS  50           H        LYS  50 -16.075  22.739   9.871
  395    HA   LYS  50           HA       LYS  50 -17.860  22.554   7.635
  396   1HB   LYS  50          1HB       LYS  50 -18.222  22.109  10.616
  397   2HB   LYS  50          2HB       LYS  50 -19.365  21.568   9.386
  398   1HG   LYS  50          1HG       LYS  50 -17.437  20.319   8.304
  399   2HG   LYS  50          2HG       LYS  50 -16.487  20.694   9.741
  400   1HD   LYS  50          1HD       LYS  50 -17.970  19.458  11.155
  401   2HD   LYS  50          2HD       LYS  50 -19.182  19.325   9.881
  402   1HE   LYS  50          1HE       LYS  50 -17.785  17.824   8.602
  403   2HE   LYS  50          2HE       LYS  50 -16.402  18.115   9.674
  404   1HZ   LYS  50          1HZ       LYS  50 -17.912  17.354  11.528
  405   2HZ   LYS  50          2HZ       LYS  50 -18.979  16.793  10.330
  406   3HZ   LYS  50          3HZ       LYS  50 -17.418  16.140  10.447
  407    H    GLU  51           H        GLU  51 -17.847  24.642  10.522
  408    HA   GLU  51           HA       GLU  51 -20.390  25.855  10.224
  409   1HB   GLU  51          1HB       GLU  51 -17.718  26.864  11.244
  410   2HB   GLU  51          2HB       GLU  51 -19.233  27.736  11.475
  411   1HG   GLU  51          1HG       GLU  51 -20.182  25.841  12.690
  412   2HG   GLU  51          2HG       GLU  51 -18.732  24.885  12.381
  413    H    ALA  52           H        ALA  52 -17.407  26.346   8.441
  414    HA   ALA  52           HA       ALA  52 -18.210  28.887   7.245
  415   1HB   ALA  52          1HB       ALA  52 -15.865  28.164   7.627
  416   2HB   ALA  52          2HB       ALA  52 -16.161  28.512   5.924
  417   3HB   ALA  52          3HB       ALA  52 -16.099  26.841   6.484
  418    H    LYS  53           H        LYS  53 -18.792  25.526   6.580
  419    HA   LYS  53           HA       LYS  53 -19.444  25.950   3.738
  420   1HB   LYS  53          1HB       LYS  53 -18.401  23.878   4.574
  421   2HB   LYS  53          2HB       LYS  53 -19.784  23.603   5.635
  422   1HG   LYS  53          1HG       LYS  53 -21.263  23.517   3.634
  423   2HG   LYS  53          2HG       LYS  53 -19.844  23.705   2.603
  424   1HD   LYS  53          1HD       LYS  53 -18.895  21.624   3.503
  425   2HD   LYS  53          2HD       LYS  53 -20.281  21.443   4.579
  426   1HE   LYS  53          1HE       LYS  53 -21.790  21.247   2.645
  427   2HE   LYS  53          2HE       LYS  53 -20.425  21.498   1.539
  428   1HZ   LYS  53          1HZ       LYS  53 -19.345  19.595   2.842
  429   2HZ   LYS  53          2HZ       LYS  53 -20.912  19.246   3.400
  430   3HZ   LYS  53          3HZ       LYS  53 -20.567  19.186   1.738
  431    H    SER  54           H        SER  54 -21.098  25.880   6.824
  432    HA   SER  54           HA       SER  54 -23.771  25.481   5.704
  433   1HB   SER  54          1HB       SER  54 -22.763  26.466   8.394
  434   2HB   SER  54          2HB       SER  54 -24.423  25.974   8.052
  435    HG   SER  54           HG       SER  54 -22.901  24.357   8.980
  436    H    GLN  55           H        GLN  55 -21.631  28.163   6.093
  437    HA   GLN  55           HA       GLN  55 -23.438  30.001   4.792
  438   1HB   GLN  55          1HB       GLN  55 -23.949  31.407   6.733
  439   2HB   GLN  55          2HB       GLN  55 -24.492  29.758   7.046
  440   1HG   GLN  55          1HG       GLN  55 -22.534  29.303   8.393
  441   2HG   GLN  55          2HG       GLN  55 -21.807  30.845   7.942
  442   2HE2  GLN  55          2HE2      GLN  55 -22.642  29.824  10.681
  443   1HE2  GLN  55          1HE2      GLN  55 -23.701  31.007  11.281

  No H/Q in entry =         443
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1 -27.442  24.640  11.637
    2    H2   LYS   1           H2       LYS   1 -26.461  25.692  10.739
    3    H3   LYS   1           H3       LYS   1 -26.199  24.016  10.663
    4    HA   LYS   1           HA       LYS   1 -24.537  24.623  12.119
    5   1HB   LYS   1          1HB       LYS   1 -25.351  26.991  11.982
    6   2HB   LYS   1          2HB       LYS   1 -26.534  26.617  13.235
    7   1HG   LYS   1          1HG       LYS   1 -24.696  27.559  14.408
    8   2HG   LYS   1          2HG       LYS   1 -24.529  25.818  14.643
    9   1HD   LYS   1          1HD       LYS   1 -22.922  25.726  12.764
   10   2HD   LYS   1          2HD       LYS   1 -23.078  27.469  12.550
   11   1HE   LYS   1          1HE       LYS   1 -21.970  26.021  14.981
   12   2HE   LYS   1          2HE       LYS   1 -21.099  27.116  13.891
   13   1HZ   LYS   1          1HZ       LYS   1 -23.112  28.675  14.507
   14   2HZ   LYS   1          2HZ       LYS   1 -23.132  27.726  15.916
   15   3HZ   LYS   1          3HZ       LYS   1 -21.735  28.593  15.499
   16    H    ASN   2           H        ASN   2 -25.027  22.435  12.865
   17    HA   ASN   2           HA       ASN   2 -26.912  22.233  15.170
   18   1HB   ASN   2          1HB       ASN   2 -27.062  20.704  13.182
   19   2HB   ASN   2          2HB       ASN   2 -25.454  20.100  13.579
   20   2HD2  ASN   2          2HD2      ASN   2 -27.619  18.294  13.605
   21   1HD2  ASN   2          1HD2      ASN   2 -27.965  17.849  15.206
   22    H    GLU   3           H        GLU   3 -25.915  22.566  17.125
   23    HA   GLU   3           HA       GLU   3 -23.081  22.410  17.565
   24   1HB   GLU   3          1HB       GLU   3 -23.739  22.754  19.894
   25   2HB   GLU   3          2HB       GLU   3 -24.775  23.733  18.856
   26   1HG   GLU   3          1HG       GLU   3 -26.428  21.789  18.894
   27   2HG   GLU   3          2HG       GLU   3 -25.443  21.096  20.184
   28    H    ASP   4           H        ASP   4 -25.387  19.947  17.197
   29    HA   ASP   4           HA       ASP   4 -23.776  18.022  18.832
   30   1HB   ASP   4          1HB       ASP   4 -26.273  18.425  19.218
   31   2HB   ASP   4          2HB       ASP   4 -26.540  17.664  17.649
   32    H    GLN   5           H        GLN   5 -22.479  18.584  16.528
   33    HA   GLN   5           HA       GLN   5 -23.264  16.418  14.607
   34   1HB   GLN   5          1HB       GLN   5 -21.967  17.826  12.982
   35   2HB   GLN   5          2HB       GLN   5 -23.341  18.679  13.686
   36   1HG   GLN   5          1HG       GLN   5 -21.900  19.832  15.254
   37   2HG   GLN   5          2HG       GLN   5 -20.512  18.862  14.762
   38   2HE2  GLN   5          2HE2      GLN   5 -19.277  20.685  13.955
   39   1HE2  GLN   5          1HE2      GLN   5 -19.744  21.543  12.566
   40    H    GLU   6           H        GLU   6 -21.987  15.199  16.510
   41    HA   GLU   6           HA       GLU   6 -20.055  13.936  17.023
   42   1HB   GLU   6          1HB       GLU   6 -19.041  15.034  14.388
   43   2HB   GLU   6          2HB       GLU   6 -18.630  13.493  15.142
   44   1HG   GLU   6          1HG       GLU   6 -20.982  12.755  14.881
   45   2HG   GLU   6          2HG       GLU   6 -21.363  14.283  14.088
   46    H    MET   7           H        MET   7 -20.279  16.913  17.643
   47    HA   MET   7           HA       MET   7 -17.596  18.021  17.427
   48   1HB   MET   7          1HB       MET   7 -20.119  18.687  18.958
   49   2HB   MET   7          2HB       MET   7 -18.659  19.667  19.088
   50   1HG   MET   7          1HG       MET   7 -18.699  19.800  16.531
   51   2HG   MET   7          2HG       MET   7 -20.331  19.138  16.622
   52   1HE   MET   7          1HE       MET   7 -17.976  21.991  16.997
   53   2HE   MET   7          2HE       MET   7 -18.789  23.220  17.977
   54   3HE   MET   7          3HE       MET   7 -18.191  21.744  18.729
   55    H    CYS   8           H        CYS   8 -15.956  17.952  18.973
   56    HA   CYS   8           HA       CYS   8 -16.279  15.996  21.175
   57   1HB   CYS   8          1HB       CYS   8 -13.814  16.249  21.283
   58   2HB   CYS   8          2HB       CYS   8 -14.349  15.921  19.635
   59    H    HIS   9           H        HIS   9 -15.891  19.459  20.670
   60    HA   HIS   9           HA       HIS   9 -15.916  21.257  22.206
   61   1HB   HIS   9          1HB       HIS   9 -17.320  19.093  23.809
   62   2HB   HIS   9          2HB       HIS   9 -17.408  20.824  24.140
   63    HD1  HIS   9           HD1      HIS   9 -17.951  22.109  21.541
   64    HD2  HIS   9           HD2      HIS   9 -19.643  18.419  22.492
   65    HE1  HIS   9           HE1      HIS   9 -19.981  21.847  20.050
   66    H    GLU  10           H        GLU  10 -13.671  19.188  22.294
   67    HA   GLU  10           HA       GLU  10 -12.856  19.458  25.160
   68   1HB   GLU  10          1HB       GLU  10 -12.081  17.656  22.857
   69   2HB   GLU  10          2HB       GLU  10 -11.146  17.710  24.352
   70   1HG   GLU  10          1HG       GLU  10 -13.102  17.064  25.651
   71   2HG   GLU  10          2HG       GLU  10 -14.122  17.142  24.215
   72    H    PHE  11           H        PHE  11 -12.065  20.441  21.895
   73    HA   PHE  11           HA       PHE  11  -9.452  21.571  22.777
   74   1HB   PHE  11          1HB       PHE  11 -10.823  20.978  20.161
   75   2HB   PHE  11          2HB       PHE  11  -9.411  22.028  20.212
   76    HD1  PHE  11           HD1      PHE  11 -10.635  18.620  21.122
   77    HD2  PHE  11           HD2      PHE  11  -7.225  21.141  20.441
   78    HE1  PHE  11           HE1      PHE  11  -9.151  16.639  21.213
   79    HE2  PHE  11           HE2      PHE  11  -5.742  19.159  20.540
   80    HZ   PHE  11           HZ       PHE  11  -6.705  16.912  20.925
   81    H    GLN  12           H        GLN  12 -12.669  22.523  22.572
   82    HA   GLN  12           HA       GLN  12 -12.774  25.021  21.355
   83   1HB   GLN  12          1HB       GLN  12 -14.566  23.748  22.616
   84   2HB   GLN  12          2HB       GLN  12 -13.859  24.365  24.110
   85   1HG   GLN  12          1HG       GLN  12 -14.303  26.643  23.470
   86   2HG   GLN  12          2HG       GLN  12 -14.758  26.154  21.838
   87   2HE2  GLN  12          2HE2      GLN  12 -16.736  27.556  22.950
   88   1HE2  GLN  12          1HE2      GLN  12 -17.973  26.576  23.575
   89    H    ALA  13           H        ALA  13 -11.446  24.268  24.583
   90    HA   ALA  13           HA       ALA  13 -10.837  26.921  25.405
   91   1HB   ALA  13          1HB       ALA  13  -8.848  25.025  26.261
   92   2HB   ALA  13          2HB       ALA  13 -10.193  25.692  27.186
   93   3HB   ALA  13          3HB       ALA  13 -10.421  24.230  26.224
   94    H    PHE  14           H        PHE  14  -9.472  25.013  22.889
   95    HA   PHE  14           HA       PHE  14  -6.903  26.496  22.910
   96   1HB   PHE  14          1HB       PHE  14  -8.001  24.268  21.168
   97   2HB   PHE  14          2HB       PHE  14  -6.332  24.831  21.191
   98    HD1  PHE  14           HD1      PHE  14  -6.049  25.335  24.149
   99    HD2  PHE  14           HD2      PHE  14  -7.754  22.041  21.988
  100    HE1  PHE  14           HE1      PHE  14  -5.564  23.831  26.061
  101    HE2  PHE  14           HE2      PHE  14  -7.272  20.536  23.899
  102    HZ   PHE  14           HZ       PHE  14  -6.177  21.432  25.936
  103    H    MET  15           H        MET  15  -9.729  27.575  22.091
  104    HA   MET  15           HA       MET  15  -9.236  28.263  19.252
  105   1HB   MET  15          1HB       MET  15 -11.492  28.826  21.202
  106   2HB   MET  15          2HB       MET  15 -11.528  29.205  19.482
  107   1HG   MET  15          1HG       MET  15 -11.196  26.820  18.952
  108   2HG   MET  15          2HG       MET  15 -11.165  26.446  20.671
  109   1HE   MET  15          1HE       MET  15 -12.988  27.514  17.620
  110   2HE   MET  15          2HE       MET  15 -14.684  27.744  18.062
  111   3HE   MET  15          3HE       MET  15 -13.480  28.945  18.521
  112    H    LYS  16           H        LYS  16  -7.525  29.768  19.368
  113    HA   LYS  16           HA       LYS  16  -7.572  32.018  21.243
  114   1HB   LYS  16          1HB       LYS  16  -5.462  31.094  20.553
  115   2HB   LYS  16          2HB       LYS  16  -5.896  31.220  18.848
  116   1HG   LYS  16          1HG       LYS  16  -5.888  33.660  18.992
  117   2HG   LYS  16          2HG       LYS  16  -5.571  33.582  20.725
  118   1HD   LYS  16          1HD       LYS  16  -3.462  32.252  20.122
  119   2HD   LYS  16          2HD       LYS  16  -3.744  32.765  18.458
  120   1HE   LYS  16          1HE       LYS  16  -3.671  35.133  19.169
  121   2HE   LYS  16          2HE       LYS  16  -3.395  34.619  20.844
  122   1HZ   LYS  16          1HZ       LYS  16  -1.511  33.232  19.844
  123   2HZ   LYS  16          2HZ       LYS  16  -1.654  34.234  18.480
  124   3HZ   LYS  16          3HZ       LYS  16  -1.254  34.905  19.985
  125    H    ASN  17           H        ASN  17  -9.430  33.283  20.800
  126    HA   ASN  17           HA       ASN  17 -10.667  34.953  19.671
  127   1HB   ASN  17          1HB       ASN  17  -8.188  35.654  19.402
  128   2HB   ASN  17          2HB       ASN  17  -8.332  35.036  17.757
  129   2HD2  ASN  17          2HD2      ASN  17  -8.493  37.880  19.405
  130   1HD2  ASN  17          1HD2      ASN  17  -9.624  38.713  18.451
  131    H    GLY  18           H        GLY  18 -11.641  32.556  19.030
  132   1HA   GLY  18          1HA       GLY  18 -12.648  32.852  16.364
  133   2HA   GLY  18          2HA       GLY  18 -12.850  31.417  17.370
  134    H    LYS  19           H        LYS  19  -9.755  31.431  17.593
  135    HA   LYS  19           HA       LYS  19  -9.269  30.108  14.943
  136   1HB   LYS  19          1HB       LYS  19  -8.210  32.412  15.470
  137   2HB   LYS  19          2HB       LYS  19  -7.198  31.534  16.616
  138   1HG   LYS  19          1HG       LYS  19  -7.465  30.633  13.747
  139   2HG   LYS  19          2HG       LYS  19  -6.283  31.855  14.215
  140   1HD   LYS  19          1HD       LYS  19  -5.379  30.258  15.916
  141   2HD   LYS  19          2HD       LYS  19  -6.494  29.034  15.310
  142   1HE   LYS  19          1HE       LYS  19  -4.428  28.627  14.160
  143   2HE   LYS  19          2HE       LYS  19  -5.438  29.491  12.986
  144   1HZ   LYS  19          1HZ       LYS  19  -4.428  31.559  14.217
  145   2HZ   LYS  19          2HZ       LYS  19  -3.172  30.473  14.579
  146   3HZ   LYS  19          3HZ       LYS  19  -3.570  30.800  12.963
  147    H    LEU  20           H        LEU  20  -9.111  27.937  15.378
  148    HA   LEU  20           HA       LEU  20  -8.273  26.957  18.017
  149   1HB   LEU  20          1HB       LEU  20 -10.074  26.060  16.378
  150   2HB   LEU  20          2HB       LEU  20  -8.720  25.348  15.501
  151    HG   LEU  20           HG       LEU  20  -9.425  24.863  18.412
  152   1HD1  LEU  20          1HD1      LEU  20 -10.638  23.759  16.278
  153   2HD1  LEU  20          2HD1      LEU  20  -9.235  22.695  16.377
  154   3HD1  LEU  20          3HD1      LEU  20 -10.323  22.849  17.756
  155   1HD2  LEU  20          1HD2      LEU  20  -7.048  24.149  16.718
  156   2HD2  LEU  20          2HD2      LEU  20  -7.097  24.688  18.397
  157   3HD2  LEU  20          3HD2      LEU  20  -7.573  23.040  17.984
  158    H    PHE  21           H        PHE  21  -6.108  26.832  18.484
  159    HA   PHE  21           HA       PHE  21  -4.182  26.373  16.247
  160   1HB   PHE  21          1HB       PHE  21  -2.542  27.001  18.158
  161   2HB   PHE  21          2HB       PHE  21  -3.587  28.271  17.528
  162    HD1  PHE  21           HD1      PHE  21  -2.978  25.981  20.364
  163    HD2  PHE  21           HD2      PHE  21  -5.415  29.177  18.844
  164    HE1  PHE  21           HE1      PHE  21  -3.910  26.348  22.630
  165    HE2  PHE  21           HE2      PHE  21  -6.346  29.543  21.114
  166    HZ   PHE  21           HZ       PHE  21  -5.593  28.129  23.007
  167    H    CYS  22           H        CYS  22  -5.007  24.058  16.254
  168    HA   CYS  22           HA       CYS  22  -4.710  22.262  18.408
  169   1HB   CYS  22          1HB       CYS  22  -5.894  21.589  16.479
  170   2HB   CYS  22          2HB       CYS  22  -4.569  22.010  15.405
  171    HA   PRO  23           HA       PRO  23  -0.205  21.425  16.802
  172   1HB   PRO  23          1HB       PRO  23   0.779  23.911  15.745
  173   2HB   PRO  23          2HB       PRO  23   0.585  22.372  14.905
  174   1HG   PRO  23          1HG       PRO  23  -0.954  24.751  14.552
  175   2HG   PRO  23          2HG       PRO  23  -1.204  23.185  13.776
  176   1HD   PRO  23          1HD       PRO  23  -2.784  24.441  15.868
  177   2HD   PRO  23          2HD       PRO  23  -3.115  22.936  14.984
  178    H    GLN  24           H        GLN  24  -0.553  21.801  19.272
  179    HA   GLN  24           HA       GLN  24   1.049  24.175  20.156
  180   1HB   GLN  24          1HB       GLN  24  -0.338  23.885  22.281
  181   2HB   GLN  24          2HB       GLN  24  -1.240  24.401  20.857
  182   1HG   GLN  24          1HG       GLN  24  -2.178  22.255  20.532
  183   2HG   GLN  24          2HG       GLN  24  -0.974  21.475  21.556
  184   2HE2  GLN  24          2HE2      GLN  24  -1.067  22.186  23.959
  185   1HE2  GLN  24          1HE2      GLN  24  -2.601  22.497  24.617
  186    H    ASP  25           H        ASP  25   0.318  22.092  22.697
  187    HA   ASP  25           HA       ASP  25   3.069  20.969  22.643
  188   1HB   ASP  25          1HB       ASP  25   2.420  22.176  24.626
  189   2HB   ASP  25          2HB       ASP  25   0.893  21.298  24.726
  190    H    LYS  26           H        LYS  26   2.052  19.480  20.824
  191    HA   LYS  26           HA       LYS  26   0.153  17.450  21.505
  192   1HB   LYS  26          1HB       LYS  26   2.326  17.807  19.447
  193   2HB   LYS  26          2HB       LYS  26   1.376  16.322  19.501
  194   1HG   LYS  26          1HG       LYS  26  -0.703  17.796  19.460
  195   2HG   LYS  26          2HG       LYS  26   0.368  19.146  19.085
  196   1HD   LYS  26          1HD       LYS  26   1.193  17.933  17.094
  197   2HD   LYS  26          2HD       LYS  26   0.104  16.595  17.465
  198   1HE   LYS  26          1HE       LYS  26  -1.843  18.085  17.208
  199   2HE   LYS  26          2HE       LYS  26  -0.763  19.452  16.875
  200   1HZ   LYS  26          1HZ       LYS  26   0.229  18.017  15.085
  201   2HZ   LYS  26          2HZ       LYS  26  -1.071  16.951  15.303
  202   3HZ   LYS  26          3HZ       LYS  26  -1.358  18.541  14.783
  203    H    LYS  27           H        LYS  27   3.284  17.896  22.711
  204    HA   LYS  27           HA       LYS  27   4.596  15.482  22.826
  205   1HB   LYS  27          1HB       LYS  27   3.973  17.568  24.919
  206   2HB   LYS  27          2HB       LYS  27   5.044  16.215  25.272
  207   1HG   LYS  27          1HG       LYS  27   6.510  16.844  23.420
  208   2HG   LYS  27          2HG       LYS  27   5.409  18.141  22.959
  209   1HD   LYS  27          1HD       LYS  27   5.762  19.182  25.204
  210   2HD   LYS  27          2HD       LYS  27   6.948  17.927  25.564
  211   1HE   LYS  27          1HE       LYS  27   8.247  18.655  23.532
  212   2HE   LYS  27          2HE       LYS  27   7.111  20.005  23.350
  213   1HZ   LYS  27          1HZ       LYS  27   7.612  20.284  25.889
  214   2HZ   LYS  27          2HZ       LYS  27   9.054  19.476  25.495
  215   3HZ   LYS  27          3HZ       LYS  27   8.670  20.943  24.734
  216    H    PHE  28           H        PHE  28   1.477  16.223  24.276
  217    HA   PHE  28           HA       PHE  28   1.122  14.308  26.243
  218   1HB   PHE  28          1HB       PHE  28  -0.755  15.008  23.960
  219   2HB   PHE  28          2HB       PHE  28  -1.240  14.336  25.515
  220    HD1  PHE  28           HD1      PHE  28  -0.170  15.695  27.612
  221    HD2  PHE  28           HD2      PHE  28  -0.968  17.306  23.712
  222    HE1  PHE  28           HE1      PHE  28  -0.258  17.980  28.572
  223    HE2  PHE  28           HE2      PHE  28  -1.057  19.591  24.669
  224    HZ   PHE  28           HZ       PHE  28  -0.700  19.929  27.100
  225    H    PHE  29           H        PHE  29   1.559  13.767  22.811
  226    HA   PHE  29           HA       PHE  29   0.468  11.290  22.274
  227   1HB   PHE  29          1HB       PHE  29   1.911  12.761  20.823
  228   2HB   PHE  29          2HB       PHE  29   3.320  12.124  21.669
  229    HD1  PHE  29           HD1      PHE  29   3.452   9.485  21.807
  230    HD2  PHE  29           HD2      PHE  29   1.167  11.668  18.898
  231    HE1  PHE  29           HE1      PHE  29   3.454   7.502  20.317
  232    HE2  PHE  29           HE2      PHE  29   1.170   9.687  17.407
  233    HZ   PHE  29           HZ       PHE  29   2.314   7.603  18.117
  234    H    GLN  30           H        GLN  30   3.040  11.963  24.555
  235    HA   GLN  30           HA       GLN  30   4.126   9.303  24.750
  236   1HB   GLN  30          1HB       GLN  30   5.174  10.222  26.753
  237   2HB   GLN  30          2HB       GLN  30   5.175  11.454  25.493
  238   1HG   GLN  30          1HG       GLN  30   3.122  12.439  26.476
  239   2HG   GLN  30          2HG       GLN  30   3.165  11.225  27.754
  240   2HE2  GLN  30          2HE2      GLN  30   3.868  14.384  27.329
  241   1HE2  GLN  30          1HE2      GLN  30   5.212  14.547  28.353
  242    H    SER  31           H        SER  31   1.044  10.394  25.538
  243    HA   SER  31           HA       SER  31   0.695   8.127  27.463
  244   1HB   SER  31          1HB       SER  31   0.924  10.199  28.733
  245   2HB   SER  31          2HB       SER  31  -0.283  10.988  27.719
  246    HG   SER  31           HG       SER  31  -1.846   9.711  28.561
  247    H    LEU  32           H        LEU  32  -1.449   7.213  27.421
  248    HA   LEU  32           HA       LEU  32  -2.761   7.008  24.953
  249   1HB   LEU  32          1HB       LEU  32  -2.955   5.791  27.311
  250   2HB   LEU  32          2HB       LEU  32  -4.321   6.890  27.504
  251    HG   LEU  32           HG       LEU  32  -4.006   5.247  24.996
  252   1HD1  LEU  32          1HD1      LEU  32  -3.946   3.755  27.033
  253   2HD1  LEU  32          2HD1      LEU  32  -5.528   4.398  27.475
  254   3HD1  LEU  32          3HD1      LEU  32  -5.334   3.484  25.979
  255   1HD2  LEU  32          1HD2      LEU  32  -6.317   6.559  26.455
  256   2HD2  LEU  32          2HD2      LEU  32  -5.639   7.028  24.895
  257   3HD2  LEU  32          3HD2      LEU  32  -6.516   5.507  25.053
  258    H    ASP  33           H        ASP  33  -3.605   9.139  27.690
  259    HA   ASP  33           HA       ASP  33  -5.874  10.402  26.572
  260   1HB   ASP  33          1HB       ASP  33  -3.653  11.366  28.402
  261   2HB   ASP  33          2HB       ASP  33  -5.118  12.301  28.102
  262    H    GLY  34           H        GLY  34  -2.417  11.064  26.151
  263   1HA   GLY  34          1HA       GLY  34  -1.307  12.472  24.627
  264   2HA   GLY  34          2HA       GLY  34  -2.787  13.423  24.526
  265    H    ILE  35           H        ILE  35  -1.965  10.046  23.720
  266    HA   ILE  35           HA       ILE  35  -2.055  10.237  20.912
  267    HB   ILE  35           HB       ILE  35  -2.666   8.117  22.961
  268   1HG1  ILE  35          1HG1      ILE  35  -0.332   8.678  22.495
  269   2HG1  ILE  35          2HG1      ILE  35  -0.685   7.070  21.860
  270   1HG2  ILE  35          1HG2      ILE  35  -2.959   7.824  19.954
  271   2HG2  ILE  35          2HG2      ILE  35  -2.887   6.473  21.086
  272   3HG2  ILE  35          3HG2      ILE  35  -4.231   7.612  21.157
  273   1HD1  ILE  35          1HD1      ILE  35  -1.358   8.899  19.807
  274   2HD1  ILE  35          2HD1      ILE  35   0.205   9.417  20.437
  275   3HD1  ILE  35          3HD1      ILE  35   0.000   7.773  19.832
  276    H    MET  36           H        MET  36  -4.663  10.141  23.279
  277    HA   MET  36           HA       MET  36  -6.800   9.732  21.336
  278   1HB   MET  36          1HB       MET  36  -6.421  10.169  24.215
  279   2HB   MET  36          2HB       MET  36  -7.879  10.933  23.580
  280   1HG   MET  36          1HG       MET  36  -8.398   8.710  22.445
  281   2HG   MET  36          2HG       MET  36  -7.096   8.012  23.409
  282   1HE   MET  36          1HE       MET  36 -10.291   7.669  23.029
  283   2HE   MET  36          2HE       MET  36 -11.253   7.995  24.477
  284   3HE   MET  36          3HE       MET  36 -10.806   9.313  23.396
  285    H    PHE  37           H        PHE  37  -6.179  12.580  23.436
  286    HA   PHE  37           HA       PHE  37  -7.740  14.411  21.994
  287   1HB   PHE  37          1HB       PHE  37  -6.993  15.694  23.700
  288   2HB   PHE  37          2HB       PHE  37  -5.905  14.384  24.153
  289    HD1  PHE  37           HD1      PHE  37  -3.587  14.303  23.087
  290    HD2  PHE  37           HD2      PHE  37  -6.160  17.725  22.833
  291    HE1  PHE  37           HE1      PHE  37  -1.648  15.712  22.469
  292    HE2  PHE  37           HE2      PHE  37  -4.221  19.137  22.207
  293    HZ   PHE  37           HZ       PHE  37  -1.967  18.121  22.021
  294    H    ILE  38           H        ILE  38  -4.272  13.614  21.494
  295    HA   ILE  38           HA       ILE  38  -3.695  15.399  19.395
  296    HB   ILE  38           HB       ILE  38  -2.857  12.548  19.986
  297   1HG1  ILE  38          1HG1      ILE  38  -1.670  15.289  20.461
  298   2HG1  ILE  38          2HG1      ILE  38  -2.092  14.069  21.660
  299   1HG2  ILE  38          1HG2      ILE  38  -2.621  13.155  17.537
  300   2HG2  ILE  38          2HG2      ILE  38  -1.537  14.453  18.035
  301   3HG2  ILE  38          3HG2      ILE  38  -1.102  12.772  18.347
  302   1HD1  ILE  38          1HD1      ILE  38  -0.362  12.595  20.307
  303   2HD1  ILE  38          2HD1      ILE  38   0.259  14.167  19.804
  304   3HD1  ILE  38          3HD1      ILE  38   0.204  13.747  21.516
  305    H    ASN  39           H        ASN  39  -5.477  12.345  19.370
  306    HA   ASN  39           HA       ASN  39  -5.727  12.236  16.460
  307   1HB   ASN  39          1HB       ASN  39  -6.729  10.772  18.869
  308   2HB   ASN  39          2HB       ASN  39  -7.603  10.551  17.353
  309   2HD2  ASN  39          2HD2      ASN  39  -4.101  11.178  17.542
  310   1HD2  ASN  39          1HD2      ASN  39  -3.626   9.656  16.957
  311    H    LYS  40           H        LYS  40  -7.681  13.389  19.173
  312    HA   LYS  40           HA       LYS  40 -10.030  13.999  17.552
  313   1HB   LYS  40          1HB       LYS  40  -9.048  14.606  20.345
  314   2HB   LYS  40          2HB       LYS  40 -10.552  15.301  19.740
  315   1HG   LYS  40          1HG       LYS  40 -11.368  13.008  19.218
  316   2HG   LYS  40          2HG       LYS  40  -9.886  12.345  19.907
  317   1HD   LYS  40          1HD       LYS  40 -10.618  13.897  21.967
  318   2HD   LYS  40          2HD       LYS  40 -12.216  13.612  21.275
  319   1HE   LYS  40          1HE       LYS  40 -11.801  11.162  21.353
  320   2HE   LYS  40          2HE       LYS  40 -10.217  11.467  22.090
  321   1HZ   LYS  40          1HZ       LYS  40 -12.471  12.869  23.279
  322   2HZ   LYS  40          2HZ       LYS  40 -12.466  11.185  23.506
  323   3HZ   LYS  40          3HZ       LYS  40 -11.147  12.118  24.029
  324    H    CYS  41           H        CYS  41  -7.021  15.566  18.272
  325    HA   CYS  41           HA       CYS  41  -7.643  18.310  18.083
  326   1HB   CYS  41          1HB       CYS  41  -5.416  16.792  18.335
  327   2HB   CYS  41          2HB       CYS  41  -5.246  17.274  16.647
  328    H    ALA  42           H        ALA  42  -6.380  16.359  15.357
  329    HA   ALA  42           HA       ALA  42  -7.071  18.181  13.298
  330   1HB   ALA  42          1HB       ALA  42  -6.166  15.443  13.645
  331   2HB   ALA  42          2HB       ALA  42  -5.822  16.563  12.326
  332   3HB   ALA  42          3HB       ALA  42  -7.274  15.564  12.280
  333    H    THR  43           H        THR  43  -8.974  15.671  14.902
  334    HA   THR  43           HA       THR  43 -11.197  15.669  13.070
  335    HB   THR  43           HB       THR  43 -10.960  14.997  16.021
  336    HG1  THR  43           HG1      THR  43  -9.681  13.908  14.234
  337   1HG2  THR  43          1HG2      THR  43 -13.174  14.808  14.058
  338   2HG2  THR  43          2HG2      THR  43 -12.905  13.378  15.055
  339   3HG2  THR  43          3HG2      THR  43 -13.235  14.934  15.816
  340    H    CYS  44           H        CYS  44 -10.861  17.181  16.312
  341    HA   CYS  44           HA       CYS  44 -13.302  18.657  16.211
  342   1HB   CYS  44          1HB       CYS  44 -10.680  19.215  17.641
  343   2HB   CYS  44          2HB       CYS  44 -12.245  19.906  18.073
  344    H    LYS  45           H        LYS  45 -10.116  19.310  14.873
  345    HA   LYS  45           HA       LYS  45 -10.371  22.133  14.463
  346   1HB   LYS  45          1HB       LYS  45  -8.262  20.916  14.312
  347   2HB   LYS  45          2HB       LYS  45  -8.879  19.952  12.969
  348   1HG   LYS  45          1HG       LYS  45  -9.306  22.375  11.923
  349   2HG   LYS  45          2HG       LYS  45  -7.984  22.802  13.009
  350   1HD   LYS  45          1HD       LYS  45  -6.646  20.919  12.029
  351   2HD   LYS  45          2HD       LYS  45  -7.944  20.660  10.863
  352   1HE   LYS  45          1HE       LYS  45  -7.661  22.964  10.018
  353   2HE   LYS  45          2HE       LYS  45  -6.371  23.241  11.202
  354   1HZ   LYS  45          1HZ       LYS  45  -5.429  21.052  10.226
  355   2HZ   LYS  45          2HZ       LYS  45  -6.408  21.410   8.888
  356   3HZ   LYS  45          3HZ       LYS  45  -5.196  22.499   9.367
  357    H    MET  46           H        MET  46 -11.019  19.398  12.228
  358    HA   MET  46           HA       MET  46 -11.959  20.954  10.042
  359   1HB   MET  46          1HB       MET  46 -12.953  18.817   9.329
  360   2HB   MET  46          2HB       MET  46 -11.349  18.549  10.007
  361   1HG   MET  46          1HG       MET  46 -12.175  17.274  11.677
  362   2HG   MET  46          2HG       MET  46 -13.423  18.458  12.054
  363   1HE   MET  46          1HE       MET  46 -12.304  15.380  10.625
  364   2HE   MET  46          2HE       MET  46 -13.610  14.650   9.694
  365   3HE   MET  46          3HE       MET  46 -12.598  15.889   8.958
  366    H    ILE  47           H        ILE  47 -13.513  20.039  13.045
  367    HA   ILE  47           HA       ILE  47 -16.250  20.333  12.349
  368    HB   ILE  47           HB       ILE  47 -14.826  21.141  14.908
  369   1HG1  ILE  47          1HG1      ILE  47 -14.127  18.911  14.403
  370   2HG1  ILE  47          2HG1      ILE  47 -15.438  18.751  15.569
  371   1HG2  ILE  47          1HG2      ILE  47 -17.285  21.760  14.574
  372   2HG2  ILE  47          2HG2      ILE  47 -17.617  20.028  14.554
  373   3HG2  ILE  47          3HG2      ILE  47 -16.924  20.776  15.992
  374   1HD1  ILE  47          1HD1      ILE  47 -15.757  18.539  12.559
  375   2HD1  ILE  47          2HD1      ILE  47 -15.679  17.166  13.665
  376   3HD1  ILE  47          3HD1      ILE  47 -17.027  18.300  13.759
  377    H    LEU  48           H        LEU  48 -13.832  22.763  13.325
  378    HA   LEU  48           HA       LEU  48 -15.623  25.019  13.323
  379   1HB   LEU  48          1HB       LEU  48 -12.643  24.581  13.085
  380   2HB   LEU  48          2HB       LEU  48 -13.330  26.203  13.016
  381    HG   LEU  48           HG       LEU  48 -12.661  25.620  15.319
  382   1HD1  LEU  48          1HD1      LEU  48 -14.941  26.843  14.566
  383   2HD1  LEU  48          2HD1      LEU  48 -15.631  25.493  15.465
  384   3HD1  LEU  48          3HD1      LEU  48 -14.514  26.601  16.260
  385   1HD2  LEU  48          1HD2      LEU  48 -13.056  23.141  14.989
  386   2HD2  LEU  48          2HD2      LEU  48 -13.687  23.789  16.502
  387   3HD2  LEU  48          3HD2      LEU  48 -14.782  23.464  15.158
  388    H    GLU  49           H        GLU  49 -13.553  23.525  10.850
  389    HA   GLU  49           HA       GLU  49 -13.881  25.500   8.806
  390   1HB   GLU  49          1HB       GLU  49 -13.471  22.494   8.659
  391   2HB   GLU  49          2HB       GLU  49 -13.152  23.627   7.347
  392   1HG   GLU  49          1HG       GLU  49 -11.495  24.793   8.770
  393   2HG   GLU  49          2HG       GLU  49 -11.802  23.636  10.065
  394    H    LYS  50           H        LYS  50 -15.989  22.954   9.967
  395    HA   LYS  50           HA       LYS  50 -17.695  22.704   7.670
  396   1HB   LYS  50          1HB       LYS  50 -18.084  22.297  10.650
  397   2HB   LYS  50          2HB       LYS  50 -19.277  21.812   9.445
  398   1HG   LYS  50          1HG       LYS  50 -17.574  20.383   8.351
  399   2HG   LYS  50          2HG       LYS  50 -16.402  20.851   9.582
  400   1HD   LYS  50          1HD       LYS  50 -17.363  18.709  10.209
  401   2HD   LYS  50          2HD       LYS  50 -17.956  19.938  11.327
  402   1HE   LYS  50          1HE       LYS  50 -20.064  20.102  10.070
  403   2HE   LYS  50          2HE       LYS  50 -19.465  18.924   8.887
  404   1HZ   LYS  50          1HZ       LYS  50 -19.034  17.441  10.874
  405   2HZ   LYS  50          2HZ       LYS  50 -19.991  18.515  11.779
  406   3HZ   LYS  50          3HZ       LYS  50 -20.667  17.676  10.468
  407    H    GLU  51           H        GLU  51 -17.799  24.839  10.525
  408    HA   GLU  51           HA       GLU  51 -20.329  26.060   9.989
  409   1HB   GLU  51          1HB       GLU  51 -17.818  27.095  11.347
  410   2HB   GLU  51          2HB       GLU  51 -19.423  27.806  11.518
  411   1HG   GLU  51          1HG       GLU  51 -20.265  25.666  12.433
  412   2HG   GLU  51          2HG       GLU  51 -18.651  24.973  12.280
  413    H    ALA  52           H        ALA  52 -17.150  26.546   8.599
  414    HA   ALA  52           HA       ALA  52 -17.676  29.173   7.470
  415   1HB   ALA  52          1HB       ALA  52 -15.550  27.270   7.726
  416   2HB   ALA  52          2HB       ALA  52 -15.690  27.710   6.024
  417   3HB   ALA  52          3HB       ALA  52 -15.441  28.961   7.242
  418    H    LYS  53           H        LYS  53 -18.398  25.892   6.536
  419    HA   LYS  53           HA       LYS  53 -18.760  26.447   3.690
  420   1HB   LYS  53          1HB       LYS  53 -19.502  24.193   5.575
  421   2HB   LYS  53          2HB       LYS  53 -19.831  24.136   3.843
  422   1HG   LYS  53          1HG       LYS  53 -17.387  24.553   3.432
  423   2HG   LYS  53          2HG       LYS  53 -17.119  24.413   5.170
  424   1HD   LYS  53          1HD       LYS  53 -18.075  22.128   5.122
  425   2HD   LYS  53          2HD       LYS  53 -18.305  22.270   3.379
  426   1HE   LYS  53          1HE       LYS  53 -15.894  22.485   3.035
  427   2HE   LYS  53          2HE       LYS  53 -15.617  22.491   4.786
  428   1HZ   LYS  53          1HZ       LYS  53 -16.733  20.319   4.895
  429   2HZ   LYS  53          2HZ       LYS  53 -16.884  20.308   3.206
  430   3HZ   LYS  53          3HZ       LYS  53 -15.342  20.258   3.920
  431    H    SER  54           H        SER  54 -20.856  26.259   6.555
  432    HA   SER  54           HA       SER  54 -23.369  26.413   5.165
  433   1HB   SER  54          1HB       SER  54 -22.477  27.224   7.950
  434   2HB   SER  54          2HB       SER  54 -24.163  27.090   7.449
  435    HG   SER  54           HG       SER  54 -24.022  24.986   7.467
  436    H    GLN  55           H        GLN  55 -20.924  28.771   5.843
  437    HA   GLN  55           HA       GLN  55 -22.825  31.021   5.333
  438   1HB   GLN  55          1HB       GLN  55 -21.383  31.055   7.352
  439   2HB   GLN  55          2HB       GLN  55 -19.955  30.952   6.322
  440   1HG   GLN  55          1HG       GLN  55 -20.505  33.087   5.277
  441   2HG   GLN  55          2HG       GLN  55 -22.013  33.175   6.186
  442   2HE2  GLN  55          2HE2      GLN  55 -21.439  35.079   7.409
  443   1HE2  GLN  55          1HE2      GLN  55 -20.196  35.074   8.565

  No H/Q in entry =         443
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -24.939   9.088  14.983
    2    H2   LYS   1           H2       LYS   1 -24.204   7.559  14.977
    3    H3   LYS   1           H3       LYS   1 -25.184   8.024  16.284
    4    HA   LYS   1           HA       LYS   1 -23.613   9.617  17.039
    5   1HB   LYS   1          1HB       LYS   1 -23.330   7.091  17.380
    6   2HB   LYS   1          2HB       LYS   1 -22.091   7.163  16.127
    7   1HG   LYS   1          1HG       LYS   1 -20.791   8.750  17.430
    8   2HG   LYS   1          2HG       LYS   1 -22.072   8.865  18.636
    9   1HD   LYS   1          1HD       LYS   1 -21.779   6.486  19.194
   10   2HD   LYS   1          2HD       LYS   1 -20.525   6.343  17.963
   11   1HE   LYS   1          1HE       LYS   1 -19.244   8.161  19.200
   12   2HE   LYS   1          2HE       LYS   1 -20.429   7.993  20.509
   13   1HZ   LYS   1          1HZ       LYS   1 -19.970   5.544  20.404
   14   2HZ   LYS   1          2HZ       LYS   1 -18.658   5.891  19.381
   15   3HZ   LYS   1          3HZ       LYS   1 -18.670   6.480  20.971
   16    H    ASN   2           H        ASN   2 -23.231  11.391  15.592
   17    HA   ASN   2           HA       ASN   2 -20.996  10.959  13.633
   18   1HB   ASN   2          1HB       ASN   2 -23.257  11.438  12.672
   19   2HB   ASN   2          2HB       ASN   2 -23.276  12.962  13.559
   20   2HD2  ASN   2          2HD2      ASN   2 -23.391  13.938  11.283
   21   1HD2  ASN   2          1HD2      ASN   2 -21.936  14.164  10.438
   22    H    GLU   3           H        GLU   3 -19.173  12.122  14.112
   23    HA   GLU   3           HA       GLU   3 -18.897  13.774  16.409
   24   1HB   GLU   3          1HB       GLU   3 -17.311  13.686  13.822
   25   2HB   GLU   3          2HB       GLU   3 -16.731  14.352  15.349
   26   1HG   GLU   3          1HG       GLU   3 -16.867  12.184  16.418
   27   2HG   GLU   3          2HG       GLU   3 -17.662  11.486  15.008
   28    H    ASP   4           H        ASP   4 -19.807  14.539  13.091
   29    HA   ASP   4           HA       ASP   4 -19.491  17.400  13.248
   30   1HB   ASP   4          1HB       ASP   4 -21.129  15.485  11.574
   31   2HB   ASP   4          2HB       ASP   4 -21.156  17.225  11.293
   32    H    GLN   5           H        GLN   5 -21.702  15.259  14.710
   33    HA   GLN   5           HA       GLN   5 -23.875  17.270  14.936
   34   1HB   GLN   5          1HB       GLN   5 -23.478  14.350  15.564
   35   2HB   GLN   5          2HB       GLN   5 -24.842  15.225  16.260
   36   1HG   GLN   5          1HG       GLN   5 -25.494  15.942  13.951
   37   2HG   GLN   5          2HG       GLN   5 -24.200  14.931  13.311
   38   2HE2  GLN   5          2HE2      GLN   5 -25.366  13.212  12.361
   39   1HE2  GLN   5          1HE2      GLN   5 -26.482  12.246  13.199
   40    H    GLU   6           H        GLU   6 -21.640  15.408  16.971
   41    HA   GLU   6           HA       GLU   6 -22.419  16.870  19.407
   42   1HB   GLU   6          1HB       GLU   6 -20.254  14.846  18.735
   43   2HB   GLU   6          2HB       GLU   6 -20.599  15.424  20.366
   44   1HG   GLU   6          1HG       GLU   6 -22.693  14.374  20.432
   45   2HG   GLU   6          2HG       GLU   6 -22.810  14.281  18.676
   46    H    MET   7           H        MET   7 -20.327  17.357  16.770
   47    HA   MET   7           HA       MET   7 -18.672  18.967  16.340
   48   1HB   MET   7          1HB       MET   7 -19.796  20.107  18.920
   49   2HB   MET   7          2HB       MET   7 -18.879  21.001  17.707
   50   1HG   MET   7          1HG       MET   7 -20.648  20.446  16.029
   51   2HG   MET   7          2HG       MET   7 -21.584  19.686  17.316
   52   1HE   MET   7          1HE       MET   7 -23.190  21.148  16.102
   53   2HE   MET   7          2HE       MET   7 -23.655  22.743  16.690
   54   3HE   MET   7          3HE       MET   7 -22.447  22.586  15.407
   55    H    CYS   8           H        CYS   8 -17.046  20.398  18.149
   56    HA   CYS   8           HA       CYS   8 -15.708  18.248  19.752
   57   1HB   CYS   8          1HB       CYS   8 -14.511  18.373  17.694
   58   2HB   CYS   8          2HB       CYS   8 -14.620  20.133  17.652
   59    H    HIS   9           H        HIS   9 -15.565  18.975  21.842
   60    HA   HIS   9           HA       HIS   9 -15.373  21.934  22.303
   61   1HB   HIS   9          1HB       HIS   9 -16.405  19.703  24.087
   62   2HB   HIS   9          2HB       HIS   9 -16.496  21.431  24.429
   63    HD1  HIS   9           HD1      HIS   9 -18.107  22.864  22.903
   64    HD2  HIS   9           HD2      HIS   9 -18.365  18.746  22.305
   65    HE1  HIS   9           HE1      HIS   9 -20.229  22.463  21.579
   66    H    GLU  10           H        GLU  10 -13.773  18.900  22.699
   67    HA   GLU  10           HA       GLU  10 -12.231  19.313  25.042
   68   1HB   GLU  10          1HB       GLU  10 -12.456  17.239  23.631
   69   2HB   GLU  10          2HB       GLU  10 -11.395  17.993  22.440
   70   1HG   GLU  10          1HG       GLU  10  -9.651  18.235  24.217
   71   2HG   GLU  10          2HG       GLU  10 -10.705  17.356  25.324
   72    H    PHE  11           H        PHE  11 -11.489  20.218  21.656
   73    HA   PHE  11           HA       PHE  11  -9.054  21.653  22.505
   74   1HB   PHE  11          1HB       PHE  11 -10.473  21.051  19.913
   75   2HB   PHE  11          2HB       PHE  11  -9.085  22.132  19.964
   76    HD1  PHE  11           HD1      PHE  11 -10.151  18.727  21.134
   77    HD2  PHE  11           HD2      PHE  11  -6.939  21.239  19.787
   78    HE1  PHE  11           HE1      PHE  11  -8.627  16.775  21.128
   79    HE2  PHE  11           HE2      PHE  11  -5.414  19.286  19.783
   80    HZ   PHE  11           HZ       PHE  11  -6.258  17.058  20.457
   81    H    GLN  12           H        GLN  12 -12.361  22.374  22.300
   82    HA   GLN  12           HA       GLN  12 -12.650  24.878  21.165
   83   1HB   GLN  12          1HB       GLN  12 -14.380  23.542  22.357
   84   2HB   GLN  12          2HB       GLN  12 -13.641  23.992  23.894
   85   1HG   GLN  12          1HG       GLN  12 -13.998  26.405  23.282
   86   2HG   GLN  12          2HG       GLN  12 -14.889  25.863  21.859
   87   2HE2  GLN  12          2HE2      GLN  12 -16.794  27.007  22.907
   88   1HE2  GLN  12          1HE2      GLN  12 -17.675  26.187  24.104
   89    H    ALA  13           H        ALA  13 -11.371  24.240  24.451
   90    HA   ALA  13           HA       ALA  13 -10.876  26.926  25.213
   91   1HB   ALA  13          1HB       ALA  13  -9.809  25.912  26.995
   92   2HB   ALA  13          2HB       ALA  13  -8.954  24.767  25.963
   93   3HB   ALA  13          3HB       ALA  13 -10.654  24.503  26.353
   94    H    PHE  14           H        PHE  14  -9.305  24.963  22.839
   95    HA   PHE  14           HA       PHE  14  -6.799  26.526  22.868
   96   1HB   PHE  14          1HB       PHE  14  -7.858  24.351  21.036
   97   2HB   PHE  14          2HB       PHE  14  -6.195  24.925  21.100
   98    HD1  PHE  14           HD1      PHE  14  -6.434  25.322  24.264
   99    HD2  PHE  14           HD2      PHE  14  -7.098  22.055  21.559
  100    HE1  PHE  14           HE1      PHE  14  -5.950  23.713  26.088
  101    HE2  PHE  14           HE2      PHE  14  -6.616  20.445  23.380
  102    HZ   PHE  14           HZ       PHE  14  -6.041  21.273  25.647
  103    H    MET  15           H        MET  15  -9.736  27.427  21.920
  104    HA   MET  15           HA       MET  15  -8.978  28.337  19.194
  105   1HB   MET  15          1HB       MET  15 -11.331  28.608  18.902
  106   2HB   MET  15          2HB       MET  15 -11.143  27.116  19.813
  107   1HG   MET  15          1HG       MET  15 -11.384  28.627  21.913
  108   2HG   MET  15          2HG       MET  15 -12.037  29.824  20.793
  109   1HE   MET  15          1HE       MET  15 -14.146  29.719  19.558
  110   2HE   MET  15          2HE       MET  15 -13.554  28.330  18.637
  111   3HE   MET  15          3HE       MET  15 -15.170  28.303  19.338
  112    H    LYS  16           H        LYS  16  -8.103  30.355  19.062
  113    HA   LYS  16           HA       LYS  16  -8.605  32.334  21.222
  114   1HB   LYS  16          1HB       LYS  16  -6.299  31.836  20.552
  115   2HB   LYS  16          2HB       LYS  16  -6.685  32.207  18.871
  116   1HG   LYS  16          1HG       LYS  16  -5.542  34.088  20.116
  117   2HG   LYS  16          2HG       LYS  16  -7.094  34.526  19.404
  118   1HD   LYS  16          1HD       LYS  16  -8.211  34.357  21.518
  119   2HD   LYS  16          2HD       LYS  16  -6.815  33.582  22.266
  120   1HE   LYS  16          1HE       LYS  16  -5.498  35.654  21.987
  121   2HE   LYS  16          2HE       LYS  16  -6.890  36.435  21.212
  122   1HZ   LYS  16          1HZ       LYS  16  -7.117  35.117  23.854
  123   2HZ   LYS  16          2HZ       LYS  16  -6.626  36.738  23.724
  124   3HZ   LYS  16          3HZ       LYS  16  -8.155  36.262  23.156
  125    H    ASN  17           H        ASN  17 -10.829  32.820  20.509
  126    HA   ASN  17           HA       ASN  17 -12.399  34.141  19.347
  127   1HB   ASN  17          1HB       ASN  17  -9.800  35.405  18.414
  128   2HB   ASN  17          2HB       ASN  17 -11.395  36.137  18.245
  129   2HD2  ASN  17          2HD2      ASN  17  -8.812  36.628  20.051
  130   1HD2  ASN  17          1HD2      ASN  17  -9.500  36.921  21.574
  131    H    GLY  18           H        GLY  18 -12.114  31.737  18.127
  132   1HA   GLY  18          1HA       GLY  18 -12.406  32.455  15.277
  133   2HA   GLY  18          2HA       GLY  18 -12.871  30.920  16.007
  134    H    LYS  19           H        LYS  19  -9.741  32.002  16.898
  135    HA   LYS  19           HA       LYS  19  -8.413  30.561  14.664
  136   1HB   LYS  19          1HB       LYS  19  -7.737  32.840  15.620
  137   2HB   LYS  19          2HB       LYS  19  -7.179  31.964  17.046
  138   1HG   LYS  19          1HG       LYS  19  -6.273  31.274  14.241
  139   2HG   LYS  19          2HG       LYS  19  -5.405  32.411  15.272
  140   1HD   LYS  19          1HD       LYS  19  -5.495  30.485  17.040
  141   2HD   LYS  19          2HD       LYS  19  -5.814  29.451  15.647
  142   1HE   LYS  19          1HE       LYS  19  -3.525  31.396  15.506
  143   2HE   LYS  19          2HE       LYS  19  -3.317  29.877  16.401
  144   1HZ   LYS  19          1HZ       LYS  19  -4.607  29.869  13.748
  145   2HZ   LYS  19          2HZ       LYS  19  -2.911  29.909  13.849
  146   3HZ   LYS  19          3HZ       LYS  19  -3.770  28.617  14.534
  147    H    LEU  20           H        LEU  20  -7.734  28.459  14.921
  148    HA   LEU  20           HA       LEU  20  -7.746  27.323  17.693
  149   1HB   LEU  20          1HB       LEU  20  -9.305  26.242  16.235
  150   2HB   LEU  20          2HB       LEU  20  -8.136  26.185  14.915
  151    HG   LEU  20           HG       LEU  20  -6.711  24.672  16.317
  152   1HD1  LEU  20          1HD1      LEU  20  -9.106  24.903  18.153
  153   2HD1  LEU  20          2HD1      LEU  20  -7.951  23.574  18.259
  154   3HD1  LEU  20          3HD1      LEU  20  -7.416  25.232  18.535
  155   1HD2  LEU  20          1HD2      LEU  20  -8.439  23.864  14.637
  156   2HD2  LEU  20          2HD2      LEU  20  -8.017  22.702  15.893
  157   3HD2  LEU  20          3HD2      LEU  20  -9.527  23.606  16.001
  158    H    PHE  21           H        PHE  21  -5.694  27.154  18.528
  159    HA   PHE  21           HA       PHE  21  -3.427  26.724  16.627
  160   1HB   PHE  21          1HB       PHE  21  -2.076  27.424  18.664
  161   2HB   PHE  21          2HB       PHE  21  -3.166  28.655  18.031
  162    HD1  PHE  21           HD1      PHE  21  -5.201  29.287  19.239
  163    HD2  PHE  21           HD2      PHE  21  -2.524  26.309  20.795
  164    HE1  PHE  21           HE1      PHE  21  -6.301  29.453  21.456
  165    HE2  PHE  21           HE2      PHE  21  -3.624  26.475  23.008
  166    HZ   PHE  21           HZ       PHE  21  -5.512  28.048  23.340
  167    H    CYS  22           H        CYS  22  -4.390  24.413  16.571
  168    HA   CYS  22           HA       CYS  22  -4.313  22.609  18.739
  169   1HB   CYS  22          1HB       CYS  22  -4.846  22.553  16.049
  170   2HB   CYS  22          2HB       CYS  22  -3.373  21.588  16.135
  171    HA   PRO  23           HA       PRO  23   0.275  21.624  17.462
  172   1HB   PRO  23          1HB       PRO  23   1.363  24.054  16.371
  173   2HB   PRO  23          2HB       PRO  23   1.199  22.483  15.586
  174   1HG   PRO  23          1HG       PRO  23  -0.291  24.864  15.052
  175   2HG   PRO  23          2HG       PRO  23  -0.502  23.273  14.316
  176   1HD   PRO  23          1HD       PRO  23  -2.214  24.606  16.236
  177   2HD   PRO  23          2HD       PRO  23  -2.484  23.049  15.422
  178    H    GLN  24           H        GLN  24   0.035  21.918  19.829
  179    HA   GLN  24           HA       GLN  24   1.491  24.346  20.824
  180   1HB   GLN  24          1HB       GLN  24  -0.801  24.545  21.470
  181   2HB   GLN  24          2HB       GLN  24  -0.908  22.833  21.878
  182   1HG   GLN  24          1HG       GLN  24   0.846  23.275  23.672
  183   2HG   GLN  24          2HG       GLN  24   0.612  24.994  23.358
  184   2HE2  GLN  24          2HE2      GLN  24  -1.159  22.035  24.356
  185   1HE2  GLN  24          1HE2      GLN  24  -2.373  22.861  25.208
  186    H    ASP  25           H        ASP  25   0.376  21.434  22.499
  187    HA   ASP  25           HA       ASP  25   3.220  20.575  22.878
  188   1HB   ASP  25          1HB       ASP  25   1.953  21.976  24.748
  189   2HB   ASP  25          2HB       ASP  25   1.218  20.414  25.107
  190    H    LYS  26           H        LYS  26   2.424  19.010  21.150
  191    HA   LYS  26           HA       LYS  26   0.328  17.110  21.711
  192   1HB   LYS  26          1HB       LYS  26   2.587  17.459  19.783
  193   2HB   LYS  26          2HB       LYS  26   1.815  15.877  19.871
  194   1HG   LYS  26          1HG       LYS  26  -0.386  16.927  19.487
  195   2HG   LYS  26          2HG       LYS  26   0.384  18.512  19.405
  196   1HD   LYS  26          1HD       LYS  26   1.869  17.385  17.551
  197   2HD   LYS  26          2HD       LYS  26   0.540  16.229  17.457
  198   1HE   LYS  26          1HE       LYS  26  -1.043  18.153  17.132
  199   2HE   LYS  26          2HE       LYS  26   0.358  19.239  17.070
  200   1HZ   LYS  26          1HZ       LYS  26   0.094  16.810  15.378
  201   2HZ   LYS  26          2HZ       LYS  26  -0.395  18.348  14.858
  202   3HZ   LYS  26          3HZ       LYS  26   1.238  18.058  15.227
  203    H    LYS  27           H        LYS  27   3.307  17.486  23.211
  204    HA   LYS  27           HA       LYS  27   4.571  15.053  23.459
  205   1HB   LYS  27          1HB       LYS  27   3.753  17.117  25.514
  206   2HB   LYS  27          2HB       LYS  27   4.834  15.783  25.908
  207   1HG   LYS  27          1HG       LYS  27   5.290  17.837  23.722
  208   2HG   LYS  27          2HG       LYS  27   6.116  17.795  25.280
  209   1HD   LYS  27          1HD       LYS  27   6.873  15.436  24.670
  210   2HD   LYS  27          2HD       LYS  27   6.282  15.765  23.041
  211   1HE   LYS  27          1HE       LYS  27   7.757  17.891  23.128
  212   2HE   LYS  27          2HE       LYS  27   8.538  17.128  24.525
  213   1HZ   LYS  27          1HZ       LYS  27   8.045  15.461  22.173
  214   2HZ   LYS  27          2HZ       LYS  27   9.290  16.611  22.047
  215   3HZ   LYS  27          3HZ       LYS  27   9.346  15.432  23.264
  216    H    PHE  28           H        PHE  28   1.349  15.866  24.606
  217    HA   PHE  28           HA       PHE  28   0.780  13.924  26.514
  218   1HB   PHE  28          1HB       PHE  28  -0.938  14.704  24.136
  219   2HB   PHE  28          2HB       PHE  28  -1.511  14.137  25.702
  220    HD1  PHE  28           HD1      PHE  28  -0.070  15.533  27.696
  221    HD2  PHE  28           HD2      PHE  28  -1.354  16.981  23.861
  222    HE1  PHE  28           HE1      PHE  28  -0.042  17.857  28.564
  223    HE2  PHE  28           HE2      PHE  28  -1.325  19.304  24.728
  224    HZ   PHE  28           HZ       PHE  28  -0.670  19.742  27.080
  225    H    PHE  29           H        PHE  29   1.484  13.440  23.122
  226    HA   PHE  29           HA       PHE  29   0.302  10.979  22.517
  227   1HB   PHE  29          1HB       PHE  29   1.714  12.421  21.045
  228   2HB   PHE  29          2HB       PHE  29   3.141  11.881  21.926
  229    HD1  PHE  29           HD1      PHE  29   3.503   9.297  22.083
  230    HD2  PHE  29           HD2      PHE  29   0.954  11.196  19.193
  231    HE1  PHE  29           HE1      PHE  29   3.624   7.277  20.649
  232    HE2  PHE  29           HE2      PHE  29   1.074   9.175  17.760
  233    HZ   PHE  29           HZ       PHE  29   2.409   7.216  18.488
  234    H    GLN  30           H        GLN  30   2.754  11.629  24.897
  235    HA   GLN  30           HA       GLN  30   4.028   9.079  25.049
  236   1HB   GLN  30          1HB       GLN  30   3.487  11.351  26.964
  237   2HB   GLN  30          2HB       GLN  30   4.401   9.930  27.466
  238   1HG   GLN  30          1HG       GLN  30   5.730  10.420  25.215
  239   2HG   GLN  30          2HG       GLN  30   5.126  12.054  25.485
  240   2HE2  GLN  30          2HE2      GLN  30   6.449  13.314  26.799
  241   1HE2  GLN  30          1HE2      GLN  30   7.535  12.712  27.954
  242    H    SER  31           H        SER  31   0.786   9.915  25.706
  243    HA   SER  31           HA       SER  31   0.415   7.332  27.164
  244   1HB   SER  31          1HB       SER  31  -0.481  10.108  27.974
  245   2HB   SER  31          2HB       SER  31  -1.176   8.645  28.674
  246    HG   SER  31           HG       SER  31   0.501   9.224  29.975
  247    H    LEU  32           H        LEU  32  -1.897   6.631  27.123
  248    HA   LEU  32           HA       LEU  32  -3.084   6.794  24.541
  249   1HB   LEU  32          1HB       LEU  32  -3.336   5.229  26.716
  250   2HB   LEU  32          2HB       LEU  32  -4.764   6.240  26.935
  251    HG   LEU  32           HG       LEU  32  -4.120   4.851  24.323
  252   1HD1  LEU  32          1HD1      LEU  32  -5.515   3.882  26.791
  253   2HD1  LEU  32          2HD1      LEU  32  -6.160   3.405  25.221
  254   3HD1  LEU  32          3HD1      LEU  32  -4.503   2.990  25.656
  255   1HD2  LEU  32          1HD2      LEU  32  -6.506   6.302  25.478
  256   2HD2  LEU  32          2HD2      LEU  32  -5.647   6.637  23.974
  257   3HD2  LEU  32          3HD2      LEU  32  -6.663   5.202  24.109
  258    H    ASP  33           H        ASP  33  -4.220   8.259  27.601
  259    HA   ASP  33           HA       ASP  33  -6.361   9.768  26.574
  260   1HB   ASP  33          1HB       ASP  33  -4.359  10.232  28.802
  261   2HB   ASP  33          2HB       ASP  33  -5.742  11.298  28.553
  262    H    GLY  34           H        GLY  34  -2.897  10.491  26.662
  263   1HA   GLY  34          1HA       GLY  34  -1.678  12.235  25.647
  264   2HA   GLY  34          2HA       GLY  34  -3.187  13.142  25.521
  265    H    ILE  35           H        ILE  35  -2.427   9.915  24.265
  266    HA   ILE  35           HA       ILE  35  -1.951  10.595  21.557
  267    HB   ILE  35           HB       ILE  35  -2.986   8.216  23.074
  268   1HG1  ILE  35          1HG1      ILE  35  -0.543   8.899  22.927
  269   2HG1  ILE  35          2HG1      ILE  35  -0.891   7.253  22.400
  270   1HG2  ILE  35          1HG2      ILE  35  -3.320   8.723  20.182
  271   2HG2  ILE  35          2HG2      ILE  35  -2.550   7.186  20.575
  272   3HG2  ILE  35          3HG2      ILE  35  -4.145   7.565  21.223
  273   1HD1  ILE  35          1HD1      ILE  35  -0.841   9.564  20.454
  274   2HD1  ILE  35          2HD1      ILE  35   0.622   8.672  20.871
  275   3HD1  ILE  35          3HD1      ILE  35  -0.729   7.839  20.105
  276    H    MET  36           H        MET  36  -4.975  10.199  23.357
  277    HA   MET  36           HA       MET  36  -6.795  10.135  21.163
  278   1HB   MET  36          1HB       MET  36  -6.893  11.087  24.022
  279   2HB   MET  36          2HB       MET  36  -8.303  11.236  22.975
  280   1HG   MET  36          1HG       MET  36  -6.811   8.661  23.572
  281   2HG   MET  36          2HG       MET  36  -8.373   9.121  24.249
  282   1HE   MET  36          1HE       MET  36 -10.252   9.244  23.469
  283   2HE   MET  36          2HE       MET  36 -10.676   9.638  21.797
  284   3HE   MET  36          3HE       MET  36 -10.846   7.986  22.387
  285    H    PHE  37           H        PHE  37  -5.950  12.997  23.177
  286    HA   PHE  37           HA       PHE  37  -7.212  14.991  21.735
  287   1HB   PHE  37          1HB       PHE  37  -6.118  16.084  23.384
  288   2HB   PHE  37          2HB       PHE  37  -5.039  14.711  23.614
  289    HD1  PHE  37           HD1      PHE  37  -2.899  14.575  22.348
  290    HD2  PHE  37           HD2      PHE  37  -5.428  18.031  22.159
  291    HE1  PHE  37           HE1      PHE  37  -1.038  15.878  21.371
  292    HE2  PHE  37           HE2      PHE  37  -3.569  19.335  21.167
  293    HZ   PHE  37           HZ       PHE  37  -1.380  18.245  20.771
  294    H    ILE  38           H        ILE  38  -3.896  13.772  21.010
  295    HA   ILE  38           HA       ILE  38  -3.392  15.266  18.685
  296    HB   ILE  38           HB       ILE  38  -2.712  12.422  19.484
  297   1HG1  ILE  38          1HG1      ILE  38  -1.311  15.097  19.672
  298   2HG1  ILE  38          2HG1      ILE  38  -1.751  14.011  20.989
  299   1HG2  ILE  38          1HG2      ILE  38  -2.600  12.883  16.974
  300   2HG2  ILE  38          2HG2      ILE  38  -1.341  14.063  17.344
  301   3HG2  ILE  38          3HG2      ILE  38  -1.092  12.360  17.725
  302   1HD1  ILE  38          1HD1      ILE  38   0.209  13.265  18.803
  303   2HD1  ILE  38          2HD1      ILE  38   0.695  13.944  20.355
  304   3HD1  ILE  38          3HD1      ILE  38  -0.118  12.382  20.293
  305    H    ASN  39           H        ASN  39  -5.289  12.291  19.083
  306    HA   ASN  39           HA       ASN  39  -5.785  11.892  16.254
  307   1HB   ASN  39          1HB       ASN  39  -7.317  10.972  18.710
  308   2HB   ASN  39          2HB       ASN  39  -7.400  10.247  17.104
  309   2HD2  ASN  39          2HD2      ASN  39  -4.353  10.814  16.853
  310   1HD2  ASN  39          1HD2      ASN  39  -3.642   9.543  17.726
  311    H    LYS  40           H        LYS  40  -7.281  13.809  18.778
  312    HA   LYS  40           HA       LYS  40  -9.641  14.407  17.063
  313   1HB   LYS  40          1HB       LYS  40  -8.852  14.621  19.932
  314   2HB   LYS  40          2HB       LYS  40 -10.004  15.816  19.336
  315   1HG   LYS  40          1HG       LYS  40 -11.561  14.134  18.679
  316   2HG   LYS  40          2HG       LYS  40 -10.359  12.853  18.846
  317   1HD   LYS  40          1HD       LYS  40 -10.475  14.179  21.348
  318   2HD   LYS  40          2HD       LYS  40 -12.146  13.917  20.842
  319   1HE   LYS  40          1HE       LYS  40 -11.503  11.503  20.344
  320   2HE   LYS  40          2HE       LYS  40  -9.964  11.832  21.163
  321   1HZ   LYS  40          1HZ       LYS  40 -11.332  12.738  23.040
  322   2HZ   LYS  40          2HZ       LYS  40 -12.708  12.104  22.276
  323   3HZ   LYS  40          3HZ       LYS  40 -11.478  11.061  22.812
  324    H    CYS  41           H        CYS  41  -6.578  15.707  17.993
  325    HA   CYS  41           HA       CYS  41  -6.912  18.484  17.897
  326   1HB   CYS  41          1HB       CYS  41  -4.796  17.474  18.398
  327   2HB   CYS  41          2HB       CYS  41  -4.763  16.624  16.854
  328    H    ALA  42           H        ALA  42  -5.640  16.761  15.060
  329    HA   ALA  42           HA       ALA  42  -6.464  18.770  13.188
  330   1HB   ALA  42          1HB       ALA  42  -5.660  15.859  12.976
  331   2HB   ALA  42          2HB       ALA  42  -5.939  16.869  11.558
  332   3HB   ALA  42          3HB       ALA  42  -4.652  17.278  12.692
  333    H    THR  43           H        THR  43  -8.073  15.907  14.457
  334    HA   THR  43           HA       THR  43 -10.176  15.836  12.442
  335    HB   THR  43           HB       THR  43  -9.933  14.662  15.233
  336    HG1  THR  43           HG1      THR  43  -9.306  13.704  12.643
  337   1HG2  THR  43          1HG2      THR  43 -12.258  14.859  14.038
  338   2HG2  THR  43          2HG2      THR  43 -11.639  13.559  13.020
  339   3HG2  THR  43          3HG2      THR  43 -11.787  13.320  14.761
  340    H    CYS  44           H        CYS  44  -9.571  17.680  15.299
  341    HA   CYS  44           HA       CYS  44 -12.407  18.343  15.775
  342   1HB   CYS  44          1HB       CYS  44 -10.872  18.096  17.650
  343   2HB   CYS  44          2HB       CYS  44  -9.764  19.273  16.943
  344    H    LYS  45           H        LYS  45  -9.438  19.998  14.652
  345    HA   LYS  45           HA       LYS  45 -10.538  22.567  14.183
  346   1HB   LYS  45          1HB       LYS  45  -8.572  22.876  12.848
  347   2HB   LYS  45          2HB       LYS  45  -8.121  21.715  14.095
  348   1HG   LYS  45          1HG       LYS  45  -7.401  20.438  12.360
  349   2HG   LYS  45          2HG       LYS  45  -9.109  20.071  12.123
  350   1HD   LYS  45          1HD       LYS  45  -9.341  21.712  10.429
  351   2HD   LYS  45          2HD       LYS  45  -7.830  22.504  10.874
  352   1HE   LYS  45          1HE       LYS  45  -6.864  20.046  10.297
  353   2HE   LYS  45          2HE       LYS  45  -8.270  20.067   9.215
  354   1HZ   LYS  45          1HZ       LYS  45  -7.517  22.408   8.632
  355   2HZ   LYS  45          2HZ       LYS  45  -6.043  22.020   9.376
  356   3HZ   LYS  45          3HZ       LYS  45  -6.566  21.139   8.022
  357    H    MET  46           H        MET  46 -10.880  19.572  12.413
  358    HA   MET  46           HA       MET  46 -11.891  20.811   9.966
  359   1HB   MET  46          1HB       MET  46 -12.252  18.491   9.318
  360   2HB   MET  46          2HB       MET  46 -10.699  18.606  10.142
  361   1HG   MET  46          1HG       MET  46 -11.399  17.070  11.627
  362   2HG   MET  46          2HG       MET  46 -12.678  18.171  12.137
  363   1HE   MET  46          1HE       MET  46 -11.375  15.851   9.634
  364   2HE   MET  46          2HE       MET  46 -12.700  14.827   9.087
  365   3HE   MET  46          3HE       MET  46 -12.470  16.419   8.367
  366    H    ILE  47           H        ILE  47 -13.192  19.751  13.015
  367    HA   ILE  47           HA       ILE  47 -15.933  19.349  12.282
  368    HB   ILE  47           HB       ILE  47 -14.755  20.446  14.858
  369   1HG1  ILE  47          1HG1      ILE  47 -13.539  18.444  14.292
  370   2HG1  ILE  47          2HG1      ILE  47 -14.721  18.006  15.524
  371   1HG2  ILE  47          1HG2      ILE  47 -17.237  20.526  14.649
  372   2HG2  ILE  47          2HG2      ILE  47 -17.242  18.789  14.341
  373   3HG2  ILE  47          3HG2      ILE  47 -16.705  19.405  15.904
  374   1HD1  ILE  47          1HD1      ILE  47 -16.104  17.699  13.118
  375   2HD1  ILE  47          2HD1      ILE  47 -14.491  17.075  12.772
  376   3HD1  ILE  47          3HD1      ILE  47 -15.429  16.402  14.104
  377    H    LEU  48           H        LEU  48 -14.170  22.234  13.426
  378    HA   LEU  48           HA       LEU  48 -16.347  24.058  13.457
  379   1HB   LEU  48          1HB       LEU  48 -13.420  24.487  12.775
  380   2HB   LEU  48          2HB       LEU  48 -14.538  25.736  13.323
  381    HG   LEU  48           HG       LEU  48 -14.636  23.476  15.117
  382   1HD1  LEU  48          1HD1      LEU  48 -11.924  24.546  14.363
  383   2HD1  LEU  48          2HD1      LEU  48 -12.236  23.986  16.006
  384   3HD1  LEU  48          3HD1      LEU  48 -12.414  22.875  14.648
  385   1HD2  LEU  48          1HD2      LEU  48 -15.220  25.971  15.423
  386   2HD2  LEU  48          2HD2      LEU  48 -14.391  25.168  16.758
  387   3HD2  LEU  48          3HD2      LEU  48 -13.490  26.216  15.663
  388    H    GLU  49           H        GLU  49 -14.221  22.994  10.809
  389    HA   GLU  49           HA       GLU  49 -14.815  24.811   8.785
  390   1HB   GLU  49          1HB       GLU  49 -14.671  21.779   8.697
  391   2HB   GLU  49          2HB       GLU  49 -14.548  22.817   7.279
  392   1HG   GLU  49          1HG       GLU  49 -12.749  23.364   9.611
  393   2HG   GLU  49          2HG       GLU  49 -12.365  22.008   8.551
  394    H    LYS  50           H        LYS  50 -16.942  22.485  10.297
  395    HA   LYS  50           HA       LYS  50 -19.029  22.624   8.250
  396   1HB   LYS  50          1HB       LYS  50 -19.116  21.677  11.133
  397   2HB   LYS  50          2HB       LYS  50 -20.227  21.219   9.842
  398   1HG   LYS  50          1HG       LYS  50 -17.389  20.758   9.198
  399   2HG   LYS  50          2HG       LYS  50 -17.981  19.795  10.552
  400   1HD   LYS  50          1HD       LYS  50 -19.868  19.006   9.171
  401   2HD   LYS  50          2HD       LYS  50 -19.288  19.978   7.819
  402   1HE   LYS  50          1HE       LYS  50 -17.026  18.623   8.292
  403   2HE   LYS  50          2HE       LYS  50 -18.176  17.437   8.939
  404   1HZ   LYS  50          1HZ       LYS  50 -19.471  18.165   6.764
  405   2HZ   LYS  50          2HZ       LYS  50 -17.894  18.470   6.214
  406   3HZ   LYS  50          3HZ       LYS  50 -18.322  16.914   6.738
  407    H    GLU  51           H        GLU  51 -18.282  24.255  11.303
  408    HA   GLU  51           HA       GLU  51 -20.806  25.476  11.807
  409   1HB   GLU  51          1HB       GLU  51 -17.926  26.220  12.357
  410   2HB   GLU  51          2HB       GLU  51 -19.272  27.176  12.978
  411   1HG   GLU  51          1HG       GLU  51 -20.133  25.296  14.217
  412   2HG   GLU  51          2HG       GLU  51 -18.998  24.193  13.438
  413    H    ALA  52           H        ALA  52 -18.302  26.219   9.471
  414    HA   ALA  52           HA       ALA  52 -19.252  28.926   8.899
  415   1HB   ALA  52          1HB       ALA  52 -16.902  27.894   8.642
  416   2HB   ALA  52          2HB       ALA  52 -17.474  28.902   7.314
  417   3HB   ALA  52          3HB       ALA  52 -17.524  27.145   7.172
  418    H    LYS  53           H        LYS  53 -20.012  25.698   7.810
  419    HA   LYS  53           HA       LYS  53 -21.229  26.498   5.279
  420   1HB   LYS  53          1HB       LYS  53 -21.228  24.013   7.008
  421   2HB   LYS  53          2HB       LYS  53 -22.088  24.092   5.471
  422   1HG   LYS  53          1HG       LYS  53 -20.021  24.588   4.286
  423   2HG   LYS  53          2HG       LYS  53 -19.133  24.684   5.806
  424   1HD   LYS  53          1HD       LYS  53 -19.522  22.327   6.243
  425   2HD   LYS  53          2HD       LYS  53 -20.579  22.201   4.836
  426   1HE   LYS  53          1HE       LYS  53 -18.715  22.643   3.329
  427   2HE   LYS  53          2HE       LYS  53 -17.636  22.960   4.702
  428   1HZ   LYS  53          1HZ       LYS  53 -19.164  20.434   4.490
  429   2HZ   LYS  53          2HZ       LYS  53 -17.657  20.604   3.725
  430   3HZ   LYS  53          3HZ       LYS  53 -17.778  20.756   5.413
  431    H    SER  54           H        SER  54 -22.343  25.958   8.594
  432    HA   SER  54           HA       SER  54 -25.179  26.038   7.952
  433   1HB   SER  54          1HB       SER  54 -23.681  26.525  10.548
  434   2HB   SER  54          2HB       SER  54 -25.386  26.099  10.398
  435    HG   SER  54           HG       SER  54 -23.654  24.385  10.771
  436    H    GLN  55           H        GLN  55 -22.728  28.429   8.257
  437    HA   GLN  55           HA       GLN  55 -24.726  30.577   8.828
  438   1HB   GLN  55          1HB       GLN  55 -22.687  30.415  10.220
  439   2HB   GLN  55          2HB       GLN  55 -21.690  30.554   8.772
  440   1HG   GLN  55          1HG       GLN  55 -22.857  32.768   8.321
  441   2HG   GLN  55          2HG       GLN  55 -23.555  32.637   9.936
  442   2HE2  GLN  55          2HE2      GLN  55 -21.609  34.685   9.032
  443   1HE2  GLN  55          1HE2      GLN  55 -20.233  34.501  10.008

  No H/Q in entry =         443
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -29.648  18.197  19.315
    2    H2   LYS   1           H2       LYS   1 -31.345  18.269  19.281
    3    H3   LYS   1           H3       LYS   1 -30.488  17.830  17.885
    4    HA   LYS   1           HA       LYS   1 -31.042  20.046  17.471
    5   1HB   LYS   1          1HB       LYS   1 -31.834  20.187  19.897
    6   2HB   LYS   1          2HB       LYS   1 -30.179  20.632  20.316
    7   1HG   LYS   1          1HG       LYS   1 -30.302  22.549  18.760
    8   2HG   LYS   1          2HG       LYS   1 -31.958  22.104  18.346
    9   1HD   LYS   1          1HD       LYS   1 -32.683  22.479  20.639
   10   2HD   LYS   1          2HD       LYS   1 -31.022  22.774  21.152
   11   1HE   LYS   1          1HE       LYS   1 -30.920  24.755  19.654
   12   2HE   LYS   1          2HE       LYS   1 -32.607  24.469  19.186
   13   1HZ   LYS   1          1HZ       LYS   1 -33.197  24.551  21.560
   14   2HZ   LYS   1          2HZ       LYS   1 -31.587  24.934  21.945
   15   3HZ   LYS   1          3HZ       LYS   1 -32.525  26.016  21.030
   16    H    ASN   2           H        ASN   2 -28.696  18.656  16.865
   17    HA   ASN   2           HA       ASN   2 -26.433  20.433  17.640
   18   1HB   ASN   2          1HB       ASN   2 -26.436  17.865  17.726
   19   2HB   ASN   2          2HB       ASN   2 -26.397  17.914  15.963
   20   2HD2  ASN   2          2HD2      ASN   2 -24.185  16.882  16.197
   21   1HD2  ASN   2          1HD2      ASN   2 -22.852  17.876  16.537
   22    H    GLU   3           H        GLU   3 -25.645  21.928  16.199
   23    HA   GLU   3           HA       GLU   3 -26.948  22.278  13.602
   24   1HB   GLU   3          1HB       GLU   3 -25.628  24.306  13.562
   25   2HB   GLU   3          2HB       GLU   3 -26.195  24.081  15.216
   26   1HG   GLU   3          1HG       GLU   3 -24.043  23.087  15.844
   27   2HG   GLU   3          2HG       GLU   3 -23.473  23.231  14.181
   28    H    ASP   4           H        ASP   4 -24.088  20.694  14.778
   29    HA   ASP   4           HA       ASP   4 -23.107  20.394  11.957
   30   1HB   ASP   4          1HB       ASP   4 -21.621  21.695  13.416
   31   2HB   ASP   4          2HB       ASP   4 -21.629  20.396  14.609
   32    H    GLN   5           H        GLN   5 -21.605  18.501  14.416
   33    HA   GLN   5           HA       GLN   5 -23.332  16.243  14.561
   34   1HB   GLN   5          1HB       GLN   5 -22.453  16.689  11.996
   35   2HB   GLN   5          2HB       GLN   5 -21.249  15.546  12.590
   36   1HG   GLN   5          1HG       GLN   5 -23.311  14.214  13.482
   37   2HG   GLN   5          2HG       GLN   5 -24.227  15.184  12.329
   38   2HE2  GLN   5          2HE2      GLN   5 -24.598  13.747  10.603
   39   1HE2  GLN   5          1HE2      GLN   5 -23.379  12.872   9.808
   40    H    GLU   6           H        GLU   6 -19.992  17.380  14.291
   41    HA   GLU   6           HA       GLU   6 -19.216  15.376  16.388
   42   1HB   GLU   6          1HB       GLU   6 -18.310  15.594  13.808
   43   2HB   GLU   6          2HB       GLU   6 -17.126  16.573  14.674
   44   1HG   GLU   6          1HG       GLU   6 -16.873  14.650  16.303
   45   2HG   GLU   6          2HG       GLU   6 -17.864  13.684  15.210
   46    H    MET   7           H        MET   7 -19.738  16.956  18.070
   47    HA   MET   7           HA       MET   7 -18.440  19.578  18.088
   48   1HB   MET   7          1HB       MET   7 -19.833  17.994  20.271
   49   2HB   MET   7          2HB       MET   7 -19.538  19.733  20.273
   50   1HG   MET   7          1HG       MET   7 -20.889  19.854  18.126
   51   2HG   MET   7          2HG       MET   7 -21.340  18.171  18.404
   52   1HE   MET   7          1HE       MET   7 -22.339  17.236  20.124
   53   2HE   MET   7          2HE       MET   7 -22.039  17.956  21.712
   54   3HE   MET   7          3HE       MET   7 -23.671  17.924  21.050
   55    H    CYS   8           H        CYS   8 -16.624  20.164  19.341
   56    HA   CYS   8           HA       CYS   8 -15.181  17.925  20.722
   57   1HB   CYS   8          1HB       CYS   8 -14.277  18.458  18.464
   58   2HB   CYS   8          2HB       CYS   8 -14.039  20.130  18.973
   59    H    HIS   9           H        HIS   9 -15.425  18.551  22.866
   60    HA   HIS   9           HA       HIS   9 -15.190  21.413  23.607
   61   1HB   HIS   9          1HB       HIS   9 -15.701  18.921  25.265
   62   2HB   HIS   9          2HB       HIS   9 -15.973  20.587  25.773
   63    HD1  HIS   9           HD1      HIS   9 -17.942  21.888  24.595
   64    HD2  HIS   9           HD2      HIS   9 -17.727  17.837  23.631
   65    HE1  HIS   9           HE1      HIS   9 -20.142  21.297  23.486
   66    H    GLU  10           H        GLU  10 -13.228  18.575  23.463
   67    HA   GLU  10           HA       GLU  10 -11.414  19.104  25.631
   68   1HB   GLU  10          1HB       GLU  10 -11.452  17.518  23.085
   69   2HB   GLU  10          2HB       GLU  10  -9.921  17.696  23.942
   70   1HG   GLU  10          1HG       GLU  10 -12.505  16.632  25.124
   71   2HG   GLU  10          2HG       GLU  10 -11.091  15.669  24.697
   72    H    PHE  11           H        PHE  11 -11.276  19.934  22.146
   73    HA   PHE  11           HA       PHE  11  -8.868  21.600  22.618
   74   1HB   PHE  11          1HB       PHE  11 -10.455  20.663  20.223
   75   2HB   PHE  11          2HB       PHE  11  -9.148  21.834  20.070
   76    HD1  PHE  11           HD1      PHE  11  -9.980  18.359  21.075
   77    HD2  PHE  11           HD2      PHE  11  -6.845  21.189  20.292
   78    HE1  PHE  11           HE1      PHE  11  -8.317  16.522  21.090
   79    HE2  PHE  11           HE2      PHE  11  -5.181  19.351  20.309
   80    HZ   PHE  11           HZ       PHE  11  -5.919  17.019  20.709
   81    H    GLN  12           H        GLN  12 -12.295  21.953  22.420
   82    HA   GLN  12           HA       GLN  12 -12.775  24.403  21.218
   83   1HB   GLN  12          1HB       GLN  12 -14.452  22.970  22.326
   84   2HB   GLN  12          2HB       GLN  12 -13.786  23.403  23.901
   85   1HG   GLN  12          1HG       GLN  12 -14.205  25.871  23.047
   86   2HG   GLN  12          2HG       GLN  12 -15.368  25.082  21.983
   87   2HE2  GLN  12          2HE2      GLN  12 -16.392  26.803  23.926
   88   1HE2  GLN  12          1HE2      GLN  12 -17.156  25.910  25.151
   89    H    ALA  13           H        ALA  13 -11.250  23.837  24.376
   90    HA   ALA  13           HA       ALA  13 -11.167  26.585  25.221
   91   1HB   ALA  13          1HB       ALA  13  -8.946  25.015  26.176
   92   2HB   ALA  13          2HB       ALA  13 -10.401  25.499  27.047
   93   3HB   ALA  13          3HB       ALA  13 -10.388  24.003  26.114
   94    H    PHE  14           H        PHE  14  -9.276  24.745  22.939
   95    HA   PHE  14           HA       PHE  14  -7.054  26.699  22.942
   96   1HB   PHE  14          1HB       PHE  14  -7.572  24.311  21.152
   97   2HB   PHE  14          2HB       PHE  14  -6.025  25.080  21.490
   98    HD1  PHE  14           HD1      PHE  14  -6.696  25.518  24.519
   99    HD2  PHE  14           HD2      PHE  14  -6.839  22.108  21.913
  100    HE1  PHE  14           HE1      PHE  14  -6.373  24.016  26.466
  101    HE2  PHE  14           HE2      PHE  14  -6.517  20.606  23.855
  102    HZ   PHE  14           HZ       PHE  14  -6.282  21.559  26.135
  103    H    MET  15           H        MET  15 -10.003  27.145  21.908
  104    HA   MET  15           HA       MET  15  -9.419  27.804  19.074
  105   1HB   MET  15          1HB       MET  15 -11.799  27.939  18.894
  106   2HB   MET  15          2HB       MET  15 -11.483  26.570  19.951
  107   1HG   MET  15          1HG       MET  15 -11.713  28.243  21.895
  108   2HG   MET  15          2HG       MET  15 -12.413  29.342  20.709
  109   1HE   MET  15          1HE       MET  15 -13.765  27.814  18.742
  110   2HE   MET  15          2HE       MET  15 -15.385  27.357  19.285
  111   3HE   MET  15          3HE       MET  15 -14.796  28.996  19.545
  112    H    LYS  16           H        LYS  16  -8.599  29.822  18.701
  113    HA   LYS  16           HA       LYS  16  -9.113  32.009  20.646
  114   1HB   LYS  16          1HB       LYS  16  -6.824  31.374  19.759
  115   2HB   LYS  16          2HB       LYS  16  -7.357  31.931  18.172
  116   1HG   LYS  16          1HG       LYS  16  -8.064  34.016  19.880
  117   2HG   LYS  16          2HG       LYS  16  -6.494  33.489  20.488
  118   1HD   LYS  16          1HD       LYS  16  -5.556  33.667  18.207
  119   2HD   LYS  16          2HD       LYS  16  -7.125  34.205  17.607
  120   1HE   LYS  16          1HE       LYS  16  -6.998  36.259  18.790
  121   2HE   LYS  16          2HE       LYS  16  -5.716  35.660  19.859
  122   1HZ   LYS  16          1HZ       LYS  16  -4.507  35.253  17.598
  123   2HZ   LYS  16          2HZ       LYS  16  -5.567  36.451  17.025
  124   3HZ   LYS  16          3HZ       LYS  16  -4.492  36.800  18.294
  125    H    ASN  17           H        ASN  17 -11.305  32.545  20.095
  126    HA   ASN  17           HA       ASN  17 -12.976  33.685  18.879
  127   1HB   ASN  17          1HB       ASN  17 -10.504  34.658  17.408
  128   2HB   ASN  17          2HB       ASN  17 -12.083  35.441  17.390
  129   2HD2  ASN  17          2HD2      ASN  17  -9.172  35.935  18.707
  130   1HD2  ASN  17          1HD2      ASN  17  -9.599  36.538  20.235
  131    H    GLY  18           H        GLY  18 -12.742  31.065  18.111
  132   1HA   GLY  18          1HA       GLY  18 -13.492  31.212  15.272
  133   2HA   GLY  18          2HA       GLY  18 -13.651  29.798  16.312
  134    H    LYS  19           H        LYS  19 -10.580  31.297  16.486
  135    HA   LYS  19           HA       LYS  19  -9.423  29.635  14.313
  136   1HB   LYS  19          1HB       LYS  19  -8.896  32.092  14.794
  137   2HB   LYS  19          2HB       LYS  19  -8.048  31.529  16.233
  138   1HG   LYS  19          1HG       LYS  19  -7.441  30.335  13.534
  139   2HG   LYS  19          2HG       LYS  19  -6.683  31.845  14.036
  140   1HD   LYS  19          1HD       LYS  19  -6.530  29.986  16.213
  141   2HD   LYS  19          2HD       LYS  19  -5.937  29.189  14.756
  142   1HE   LYS  19          1HE       LYS  19  -4.121  30.423  15.962
  143   2HE   LYS  19          2HE       LYS  19  -4.399  31.084  14.340
  144   1HZ   LYS  19          1HZ       LYS  19  -6.057  32.113  16.516
  145   2HZ   LYS  19          2HZ       LYS  19  -4.431  32.605  16.502
  146   3HZ   LYS  19          3HZ       LYS  19  -5.429  32.922  15.164
  147    H    LEU  20           H        LEU  20  -9.177  27.507  15.006
  148    HA   LEU  20           HA       LEU  20  -8.298  26.947  17.778
  149   1HB   LEU  20          1HB       LEU  20 -10.082  25.618  16.779
  150   2HB   LEU  20          2HB       LEU  20  -9.058  25.227  15.397
  151    HG   LEU  20           HG       LEU  20  -7.481  24.058  16.900
  152   1HD1  LEU  20          1HD1      LEU  20  -9.486  24.920  18.997
  153   2HD1  LEU  20          2HD1      LEU  20  -8.326  23.618  19.267
  154   3HD1  LEU  20          3HD1      LEU  20  -7.755  25.258  18.953
  155   1HD2  LEU  20          1HD2      LEU  20 -10.301  23.300  16.525
  156   2HD2  LEU  20          2HD2      LEU  20  -8.836  22.370  16.214
  157   3HD2  LEU  20          3HD2      LEU  20  -9.502  22.446  17.844
  158    H    PHE  21           H        PHE  21  -6.140  26.849  18.218
  159    HA   PHE  21           HA       PHE  21  -4.232  26.416  15.974
  160   1HB   PHE  21          1HB       PHE  21  -2.592  27.009  17.925
  161   2HB   PHE  21          2HB       PHE  21  -3.610  28.282  17.262
  162    HD1  PHE  21           HD1      PHE  21  -3.116  25.985  20.119
  163    HD2  PHE  21           HD2      PHE  21  -5.430  29.239  18.533
  164    HE1  PHE  21           HE1      PHE  21  -4.100  26.379  22.360
  165    HE2  PHE  21           HE2      PHE  21  -6.410  29.635  20.776
  166    HZ   PHE  21           HZ       PHE  21  -5.745  28.205  22.690
  167    H    CYS  22           H        CYS  22  -4.654  24.129  15.746
  168    HA   CYS  22           HA       CYS  22  -4.562  22.191  17.798
  169   1HB   CYS  22          1HB       CYS  22  -5.320  21.851  15.471
  170   2HB   CYS  22          2HB       CYS  22  -3.657  21.989  14.911
  171    HA   PRO  23           HA       PRO  23   0.198  21.796  16.869
  172   1HB   PRO  23          1HB       PRO  23   1.131  24.454  16.288
  173   2HB   PRO  23          2HB       PRO  23   1.218  23.021  15.263
  174   1HG   PRO  23          1HG       PRO  23  -0.450  25.318  14.914
  175   2HG   PRO  23          2HG       PRO  23  -0.406  23.857  13.924
  176   1HD   PRO  23          1HD       PRO  23  -2.452  24.705  15.791
  177   2HD   PRO  23          2HD       PRO  23  -2.458  23.285  14.726
  178    H    GLN  24           H        GLN  24  -0.690  21.865  19.231
  179    HA   GLN  24           HA       GLN  24   0.338  24.245  20.725
  180   1HB   GLN  24          1HB       GLN  24  -1.985  23.692  21.117
  181   2HB   GLN  24          2HB       GLN  24  -1.590  21.993  21.370
  182   1HG   GLN  24          1HG       GLN  24  -0.423  22.489  23.417
  183   2HG   GLN  24          2HG       GLN  24  -0.507  24.223  23.111
  184   2HE2  GLN  24          2HE2      GLN  24  -2.748  21.408  23.457
  185   1HE2  GLN  24          1HE2      GLN  24  -3.947  22.280  24.283
  186    H    ASP  25           H        ASP  25  -0.103  21.082  22.162
  187    HA   ASP  25           HA       ASP  25   2.855  20.663  22.266
  188   1HB   ASP  25          1HB       ASP  25   2.018  21.919  24.266
  189   2HB   ASP  25          2HB       ASP  25   0.933  20.573  24.616
  190    H    LYS  26           H        LYS  26   2.035  18.994  20.611
  191    HA   LYS  26           HA       LYS  26   0.284  16.860  21.294
  192   1HB   LYS  26          1HB       LYS  26   2.617  17.202  19.411
  193   2HB   LYS  26          2HB       LYS  26   1.699  15.698  19.471
  194   1HG   LYS  26          1HG       LYS  26  -0.356  16.864  18.922
  195   2HG   LYS  26          2HG       LYS  26   0.448  18.428  19.049
  196   1HD   LYS  26          1HD       LYS  26   2.030  17.561  17.206
  197   2HD   LYS  26          2HD       LYS  26   0.835  16.289  16.952
  198   1HE   LYS  26          1HE       LYS  26  -0.913  18.084  16.651
  199   2HE   LYS  26          2HE       LYS  26   0.389  19.286  16.715
  200   1HZ   LYS  26          1HZ       LYS  26   0.402  16.936  14.893
  201   2HZ   LYS  26          2HZ       LYS  26  -0.163  18.469  14.427
  202   3HZ   LYS  26          3HZ       LYS  26   1.463  18.259  14.871
  203    H    LYS  27           H        LYS  27   3.337  17.580  22.640
  204    HA   LYS  27           HA       LYS  27   4.736  15.252  23.037
  205   1HB   LYS  27          1HB       LYS  27   3.892  17.417  24.976
  206   2HB   LYS  27          2HB       LYS  27   5.098  16.199  25.384
  207   1HG   LYS  27          1HG       LYS  27   5.287  17.967  22.934
  208   2HG   LYS  27          2HG       LYS  27   6.048  18.364  24.475
  209   1HD   LYS  27          1HD       LYS  27   7.377  16.330  24.401
  210   2HD   LYS  27          2HD       LYS  27   6.532  15.787  22.952
  211   1HE   LYS  27          1HE       LYS  27   7.365  17.960  21.844
  212   2HE   LYS  27          2HE       LYS  27   8.465  18.102  23.229
  213   1HZ   LYS  27          1HZ       LYS  27   8.223  15.498  21.904
  214   2HZ   LYS  27          2HZ       LYS  27   9.119  16.702  21.107
  215   3HZ   LYS  27          3HZ       LYS  27   9.568  16.196  22.666
  216    H    PHE  28           H        PHE  28   1.520  15.962  24.283
  217    HA   PHE  28           HA       PHE  28   1.319  13.997  26.331
  218   1HB   PHE  28          1HB       PHE  28  -0.827  14.867  24.372
  219   2HB   PHE  28          2HB       PHE  28  -1.055  14.340  26.040
  220    HD1  PHE  28           HD1      PHE  28   0.722  15.722  27.693
  221    HD2  PHE  28           HD2      PHE  28  -1.109  17.155  24.086
  222    HE1  PHE  28           HE1      PHE  28   1.021  18.059  28.468
  223    HE2  PHE  28           HE2      PHE  28  -0.812  19.491  24.858
  224    HZ   PHE  28           HZ       PHE  28   0.253  19.944  27.048
  225    H    PHE  29           H        PHE  29   1.665  13.613  22.936
  226    HA   PHE  29           HA       PHE  29   0.217  11.294  22.302
  227   1HB   PHE  29          1HB       PHE  29   1.607  12.694  20.781
  228   2HB   PHE  29          2HB       PHE  29   3.059  12.043  21.536
  229    HD1  PHE  29           HD1      PHE  29   3.297   9.444  21.563
  230    HD2  PHE  29           HD2      PHE  29   0.645  11.587  18.951
  231    HE1  PHE  29           HE1      PHE  29   3.210   7.485  20.045
  232    HE2  PHE  29           HE2      PHE  29   0.558   9.627  17.434
  233    HZ   PHE  29           HZ       PHE  29   1.840   7.576  17.981
  234    H    GLN  30           H        GLN  30   2.885  11.660  24.493
  235    HA   GLN  30           HA       GLN  30   3.845   8.928  24.444
  236   1HB   GLN  30          1HB       GLN  30   4.035  11.289  26.321
  237   2HB   GLN  30          2HB       GLN  30   4.818   9.751  26.688
  238   1HG   GLN  30          1HG       GLN  30   5.768   9.969  24.251
  239   2HG   GLN  30          2HG       GLN  30   5.384  11.679  24.453
  240   2HE2  GLN  30          2HE2      GLN  30   7.222  12.787  25.122
  241   1HE2  GLN  30          1HE2      GLN  30   8.361  12.206  26.237
  242    H    SER  31           H        SER  31   0.895  10.137  25.434
  243    HA   SER  31           HA       SER  31   0.530   7.864  27.355
  244   1HB   SER  31          1HB       SER  31  -0.307  10.768  27.578
  245   2HB   SER  31          2HB       SER  31  -0.961   9.502  28.617
  246    HG   SER  31           HG       SER  31   0.739   9.959  29.767
  247    H    LEU  32           H        LEU  32  -1.574   6.913  27.285
  248    HA   LEU  32           HA       LEU  32  -2.929   6.780  24.827
  249   1HB   LEU  32          1HB       LEU  32  -3.036   5.415  27.085
  250   2HB   LEU  32          2HB       LEU  32  -4.386   6.497  27.433
  251    HG   LEU  32           HG       LEU  32  -4.235   5.070  24.788
  252   1HD1  LEU  32          1HD1      LEU  32  -4.349   3.760  27.301
  253   2HD1  LEU  32          2HD1      LEU  32  -5.984   3.728  26.643
  254   3HD1  LEU  32          3HD1      LEU  32  -4.646   3.057  25.710
  255   1HD2  LEU  32          1HD2      LEU  32  -6.410   6.250  26.531
  256   2HD2  LEU  32          2HD2      LEU  32  -5.914   6.772  24.920
  257   3HD2  LEU  32          3HD2      LEU  32  -6.760   5.237  25.130
  258    H    ASP  33           H        ASP  33  -3.776   8.743  27.685
  259    HA   ASP  33           HA       ASP  33  -6.093   9.996  26.630
  260   1HB   ASP  33          1HB       ASP  33  -3.959  10.738  28.632
  261   2HB   ASP  33          2HB       ASP  33  -5.278  11.853  28.279
  262    H    GLY  34           H        GLY  34  -2.658  10.918  26.435
  263   1HA   GLY  34          1HA       GLY  34  -1.590  12.494  25.050
  264   2HA   GLY  34          2HA       GLY  34  -3.145  13.305  24.883
  265    H    ILE  35           H        ILE  35  -2.346   9.942  24.104
  266    HA   ILE  35           HA       ILE  35  -2.031  10.206  21.297
  267    HB   ILE  35           HB       ILE  35  -2.818   8.077  23.251
  268   1HG1  ILE  35          1HG1      ILE  35  -0.454   8.626  22.814
  269   2HG1  ILE  35          2HG1      ILE  35  -0.826   6.990  22.269
  270   1HG2  ILE  35          1HG2      ILE  35  -3.130   7.868  20.246
  271   2HG2  ILE  35          2HG2      ILE  35  -2.931   6.456  21.284
  272   3HG2  ILE  35          3HG2      ILE  35  -4.334   7.506  21.481
  273   1HD1  ILE  35          1HD1      ILE  35  -1.389   8.874  20.155
  274   2HD1  ILE  35          2HD1      ILE  35   0.260   9.104  20.733
  275   3HD1  ILE  35          3HD1      ILE  35  -0.258   7.520  20.154
  276    H    MET  36           H        MET  36  -4.942   9.882  23.303
  277    HA   MET  36           HA       MET  36  -6.767   9.703  21.038
  278   1HB   MET  36          1HB       MET  36  -6.843   9.884  23.991
  279   2HB   MET  36          2HB       MET  36  -8.253  10.542  23.159
  280   1HG   MET  36          1HG       MET  36  -8.586   8.443  21.969
  281   2HG   MET  36          2HG       MET  36  -7.101   7.781  22.654
  282   1HE   MET  36          1HE       MET  36 -10.418   8.927  22.796
  283   2HE   MET  36          2HE       MET  36 -11.070   7.429  23.475
  284   3HE   MET  36          3HE       MET  36 -11.022   8.896  24.451
  285    H    PHE  37           H        PHE  37  -6.381  12.293  23.506
  286    HA   PHE  37           HA       PHE  37  -7.874  14.282  22.254
  287   1HB   PHE  37          1HB       PHE  37  -7.111  15.305  24.119
  288   2HB   PHE  37          2HB       PHE  37  -5.923  14.022  24.335
  289    HD1  PHE  37           HD1      PHE  37  -3.645  14.253  23.371
  290    HD2  PHE  37           HD2      PHE  37  -6.501  17.450  23.218
  291    HE1  PHE  37           HE1      PHE  37  -1.830  15.842  22.823
  292    HE2  PHE  37           HE2      PHE  37  -4.683  19.045  22.668
  293    HZ   PHE  37           HZ       PHE  37  -2.349  18.233  22.465
  294    H    ILE  38           H        ILE  38  -4.374  13.634  21.718
  295    HA   ILE  38           HA       ILE  38  -3.862  15.576  19.756
  296    HB   ILE  38           HB       ILE  38  -2.902  12.735  20.171
  297   1HG1  ILE  38          1HG1      ILE  38  -1.830  15.499  20.781
  298   2HG1  ILE  38          2HG1      ILE  38  -2.190  14.201  21.917
  299   1HG2  ILE  38          1HG2      ILE  38  -2.700  13.459  17.757
  300   2HG2  ILE  38          2HG2      ILE  38  -1.687  14.795  18.307
  301   3HG2  ILE  38          3HG2      ILE  38  -1.157  13.129  18.545
  302   1HD1  ILE  38          1HD1      ILE  38  -0.358  13.120  20.058
  303   2HD1  ILE  38          2HD1      ILE  38   0.261  14.716  20.484
  304   3HD1  ILE  38          3HD1      ILE  38  -0.051  13.525  21.747
  305    H    ASN  39           H        ASN  39  -5.383  12.383  19.426
  306    HA   ASN  39           HA       ASN  39  -5.621  12.429  16.552
  307   1HB   ASN  39          1HB       ASN  39  -7.228  11.054  18.734
  308   2HB   ASN  39          2HB       ASN  39  -7.306  10.638  17.023
  309   2HD2  ASN  39          2HD2      ASN  39  -4.196  11.375  17.081
  310   1HD2  ASN  39          1HD2      ASN  39  -3.505   9.926  17.626
  311    H    LYS  40           H        LYS  40  -7.627  13.622  19.205
  312    HA   LYS  40           HA       LYS  40  -9.941  14.293  17.607
  313   1HB   LYS  40          1HB       LYS  40  -8.859  14.744  20.332
  314   2HB   LYS  40          2HB       LYS  40 -10.027  15.941  19.774
  315   1HG   LYS  40          1HG       LYS  40 -11.730  14.345  19.522
  316   2HG   LYS  40          2HG       LYS  40 -10.589  13.001  19.441
  317   1HD   LYS  40          1HD       LYS  40 -10.050  14.086  21.920
  318   2HD   LYS  40          2HD       LYS  40 -11.797  14.294  21.790
  319   1HE   LYS  40          1HE       LYS  40 -11.799  11.806  20.983
  320   2HE   LYS  40          2HE       LYS  40 -10.193  11.739  21.733
  321   1HZ   LYS  40          1HZ       LYS  40 -12.624  12.809  23.072
  322   2HZ   LYS  40          2HZ       LYS  40 -12.042  11.228  23.295
  323   3HZ   LYS  40          3HZ       LYS  40 -11.102  12.558  23.777
  324    H    CYS  41           H        CYS  41  -7.029  16.086  18.605
  325    HA   CYS  41           HA       CYS  41  -7.584  18.707  17.979
  326   1HB   CYS  41          1HB       CYS  41  -5.381  17.362  18.559
  327   2HB   CYS  41          2HB       CYS  41  -5.131  17.423  16.814
  328    H    ALA  42           H        ALA  42  -6.164  16.564  15.484
  329    HA   ALA  42           HA       ALA  42  -6.727  18.178  13.249
  330   1HB   ALA  42          1HB       ALA  42  -6.445  15.211  13.718
  331   2HB   ALA  42          2HB       ALA  42  -6.707  15.848  12.094
  332   3HB   ALA  42          3HB       ALA  42  -5.277  16.325  13.009
  333    H    THR  43           H        THR  43  -8.827  15.888  14.952
  334    HA   THR  43           HA       THR  43 -10.959  16.017  12.952
  335    HB   THR  43           HB       THR  43 -10.715  14.956  15.782
  336    HG1  THR  43           HG1      THR  43 -10.854  13.703  13.241
  337   1HG2  THR  43          1HG2      THR  43 -13.062  15.584  15.240
  338   2HG2  THR  43          2HG2      THR  43 -12.980  14.555  13.810
  339   3HG2  THR  43          3HG2      THR  43 -12.855  13.842  15.418
  340    H    CYS  44           H        CYS  44 -10.044  17.806  15.811
  341    HA   CYS  44           HA       CYS  44 -12.696  19.047  16.155
  342   1HB   CYS  44          1HB       CYS  44  -9.961  19.513  17.391
  343   2HB   CYS  44          2HB       CYS  44 -11.453  20.273  17.947
  344    H    LYS  45           H        LYS  45  -9.407  20.162  15.260
  345    HA   LYS  45           HA       LYS  45  -9.954  22.845  14.671
  346   1HB   LYS  45          1HB       LYS  45  -8.012  22.598  13.115
  347   2HB   LYS  45          2HB       LYS  45  -7.730  21.812  14.668
  348   1HG   LYS  45          1HG       LYS  45  -7.659  19.743  13.734
  349   2HG   LYS  45          2HG       LYS  45  -9.033  20.076  12.682
  350   1HD   LYS  45          1HD       LYS  45  -7.091  19.754  11.285
  351   2HD   LYS  45          2HD       LYS  45  -7.517  21.465  11.247
  352   1HE   LYS  45          1HE       LYS  45  -5.707  22.067  12.652
  353   2HE   LYS  45          2HE       LYS  45  -5.499  20.407  13.238
  354   1HZ   LYS  45          1HZ       LYS  45  -5.245  19.997  10.646
  355   2HZ   LYS  45          2HZ       LYS  45  -4.691  21.603  10.692
  356   3HZ   LYS  45          3HZ       LYS  45  -3.916  20.407  11.619
  357    H    MET  46           H        MET  46 -10.834  19.971  12.858
  358    HA   MET  46           HA       MET  46 -11.505  21.395  10.403
  359   1HB   MET  46          1HB       MET  46 -12.280  19.191   9.712
  360   2HB   MET  46          2HB       MET  46 -10.766  19.001  10.596
  361   1HG   MET  46          1HG       MET  46 -11.815  17.601  12.010
  362   2HG   MET  46          2HG       MET  46 -12.841  18.937  12.525
  363   1HE   MET  46          1HE       MET  46 -11.940  16.620   9.945
  364   2HE   MET  46          2HE       MET  46 -13.295  15.484   9.898
  365   3HE   MET  46          3HE       MET  46 -13.204  16.801   8.731
  366    H    ILE  47           H        ILE  47 -13.118  20.562  13.383
  367    HA   ILE  47           HA       ILE  47 -15.847  20.700  12.530
  368    HB   ILE  47           HB       ILE  47 -14.603  21.523  15.176
  369   1HG1  ILE  47          1HG1      ILE  47 -13.747  19.341  14.635
  370   2HG1  ILE  47          2HG1      ILE  47 -15.069  19.098  15.775
  371   1HG2  ILE  47          1HG2      ILE  47 -17.343  21.109  14.195
  372   2HG2  ILE  47          2HG2      ILE  47 -16.976  20.200  15.662
  373   3HG2  ILE  47          3HG2      ILE  47 -16.781  21.953  15.638
  374   1HD1  ILE  47          1HD1      ILE  47 -15.345  18.916  12.760
  375   2HD1  ILE  47          2HD1      ILE  47 -15.166  17.528  13.834
  376   3HD1  ILE  47          3HD1      ILE  47 -16.595  18.555  13.951
  377    H    LEU  48           H        LEU  48 -13.523  23.180  13.548
  378    HA   LEU  48           HA       LEU  48 -15.380  25.386  13.602
  379   1HB   LEU  48          1HB       LEU  48 -12.388  25.046  13.336
  380   2HB   LEU  48          2HB       LEU  48 -13.131  26.644  13.338
  381    HG   LEU  48           HG       LEU  48 -12.487  26.120  15.610
  382   1HD1  LEU  48          1HD1      LEU  48 -14.815  27.118  15.060
  383   2HD1  LEU  48          2HD1      LEU  48 -15.444  25.536  15.521
  384   3HD1  LEU  48          3HD1      LEU  48 -14.549  26.504  16.692
  385   1HD2  LEU  48          1HD2      LEU  48 -12.526  23.587  15.120
  386   2HD2  LEU  48          2HD2      LEU  48 -13.045  24.101  16.726
  387   3HD2  LEU  48          3HD2      LEU  48 -14.244  23.667  15.507
  388    H    GLU  49           H        GLU  49 -13.234  24.035  11.100
  389    HA   GLU  49           HA       GLU  49 -13.711  26.048   9.105
  390   1HB   GLU  49          1HB       GLU  49 -13.011  23.101   8.872
  391   2HB   GLU  49          2HB       GLU  49 -12.777  24.309   7.608
  392   1HG   GLU  49          1HG       GLU  49 -11.557  24.605  10.359
  393   2HG   GLU  49          2HG       GLU  49 -10.728  23.759   9.052
  394    H    LYS  50           H        LYS  50 -15.572  23.296  10.199
  395    HA   LYS  50           HA       LYS  50 -17.224  22.911   7.881
  396   1HB   LYS  50          1HB       LYS  50 -17.456  22.376  10.844
  397   2HB   LYS  50          2HB       LYS  50 -18.762  21.949   9.739
  398   1HG   LYS  50          1HG       LYS  50 -17.071  20.669   8.369
  399   2HG   LYS  50          2HG       LYS  50 -15.898  20.961   9.654
  400   1HD   LYS  50          1HD       LYS  50 -16.921  19.501  11.101
  401   2HD   LYS  50          2HD       LYS  50 -18.534  19.862  10.488
  402   1HE   LYS  50          1HE       LYS  50 -18.203  18.456   8.556
  403   2HE   LYS  50          2HE       LYS  50 -16.475  18.277   8.915
  404   1HZ   LYS  50          1HZ       LYS  50 -18.337  17.634  11.064
  405   2HZ   LYS  50          2HZ       LYS  50 -18.304  16.545   9.760
  406   3HZ   LYS  50          3HZ       LYS  50 -16.883  16.875  10.632
  407    H    GLU  51           H        GLU  51 -17.634  24.920  10.808
  408    HA   GLU  51           HA       GLU  51 -20.237  25.919  10.248
  409   1HB   GLU  51          1HB       GLU  51 -17.863  27.228  11.619
  410   2HB   GLU  51          2HB       GLU  51 -19.550  27.701  11.823
  411   1HG   GLU  51          1HG       GLU  51 -20.052  25.399  12.655
  412   2HG   GLU  51          2HG       GLU  51 -18.334  25.017  12.545
  413    H    ALA  52           H        ALA  52 -17.129  26.713   8.855
  414    HA   ALA  52           HA       ALA  52 -17.875  29.306   7.781
  415   1HB   ALA  52          1HB       ALA  52 -15.621  27.491   7.882
  416   2HB   ALA  52          2HB       ALA  52 -15.817  28.122   6.247
  417   3HB   ALA  52          3HB       ALA  52 -15.623  29.233   7.603
  418    H    LYS  53           H        LYS  53 -18.429  29.771   5.572
  419    HA   LYS  53           HA       LYS  53 -20.186  27.869   4.295
  420   1HB   LYS  53          1HB       LYS  53 -18.900  30.459   3.372
  421   2HB   LYS  53          2HB       LYS  53 -20.232  29.655   2.542
  422   1HG   LYS  53          1HG       LYS  53 -21.650  29.894   4.519
  423   2HG   LYS  53          2HG       LYS  53 -20.312  30.603   5.424
  424   1HD   LYS  53          1HD       LYS  53 -20.229  32.486   3.832
  425   2HD   LYS  53          2HD       LYS  53 -21.560  31.775   2.919
  426   1HE   LYS  53          1HE       LYS  53 -22.995  31.926   4.969
  427   2HE   LYS  53          2HE       LYS  53 -21.664  32.760   5.794
  428   1HZ   LYS  53          1HZ       LYS  53 -21.715  34.128   3.542
  429   2HZ   LYS  53          2HZ       LYS  53 -23.348  33.668   3.577
  430   3HZ   LYS  53          3HZ       LYS  53 -22.688  34.556   4.868
  431    H    SER  54           H        SER  54 -16.801  28.143   4.309
  432    HA   SER  54           HA       SER  54 -16.218  27.383   1.574
  433   1HB   SER  54          1HB       SER  54 -14.690  27.157   4.187
  434   2HB   SER  54          2HB       SER  54 -13.976  26.904   2.595
  435    HG   SER  54           HG       SER  54 -15.354  29.265   3.322
  436    H    GLN  55           H        GLN  55 -17.267  25.643   4.395
  437    HA   GLN  55           HA       GLN  55 -16.852  23.064   2.919
  438   1HB   GLN  55          1HB       GLN  55 -15.246  23.348   4.764
  439   2HB   GLN  55          2HB       GLN  55 -16.572  23.669   5.882
  440   1HG   GLN  55          1HG       GLN  55 -15.988  21.357   6.163
  441   2HG   GLN  55          2HG       GLN  55 -17.499  21.385   5.254
  442   2HE2  GLN  55          2HE2      GLN  55 -14.366  20.088   5.251
  443   1HE2  GLN  55          1HE2      GLN  55 -14.283  19.637   3.617

  No H/Q in entry =         443
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -29.501  16.867  13.821
    2    H2   LYS   1           H2       LYS   1 -29.480  15.432  14.731
    3    H3   LYS   1           H3       LYS   1 -30.839  15.821  13.794
    4    HA   LYS   1           HA       LYS   1 -31.409  17.645  15.207
    5   1HB   LYS   1          1HB       LYS   1 -30.652  15.022  16.511
    6   2HB   LYS   1          2HB       LYS   1 -31.571  16.259  17.369
    7   1HG   LYS   1          1HG       LYS   1 -33.310  16.199  15.644
    8   2HG   LYS   1          2HG       LYS   1 -32.379  15.021  14.719
    9   1HD   LYS   1          1HD       LYS   1 -32.506  13.461  16.671
   10   2HD   LYS   1          2HD       LYS   1 -33.554  14.622  17.486
   11   1HE   LYS   1          1HE       LYS   1 -35.334  14.242  16.020
   12   2HE   LYS   1          2HE       LYS   1 -34.268  13.699  14.711
   13   1HZ   LYS   1          1HZ       LYS   1 -33.680  11.768  16.082
   14   2HZ   LYS   1          2HZ       LYS   1 -34.774  12.274  17.275
   15   3HZ   LYS   1          3HZ       LYS   1 -35.345  11.803  15.746
   16    H    ASN   2           H        ASN   2 -28.134  16.693  15.353
   17    HA   ASN   2           HA       ASN   2 -27.483  18.159  17.825
   18   1HB   ASN   2          1HB       ASN   2 -26.410  16.022  16.776
   19   2HB   ASN   2          2HB       ASN   2 -25.551  17.159  15.738
   20   2HD2  ASN   2          2HD2      ASN   2 -23.862  15.796  17.342
   21   1HD2  ASN   2          1HD2      ASN   2 -23.362  16.715  18.679
   22    H    GLU   3           H        GLU   3 -26.960  20.313  17.862
   23    HA   GLU   3           HA       GLU   3 -27.170  22.006  15.567
   24   1HB   GLU   3          1HB       GLU   3 -25.986  22.283  18.338
   25   2HB   GLU   3          2HB       GLU   3 -26.052  23.637  17.211
   26   1HG   GLU   3          1HG       GLU   3 -28.484  23.429  17.052
   27   2HG   GLU   3          2HG       GLU   3 -28.452  22.004  18.091
   28    H    ASP   4           H        ASP   4 -24.479  20.222  16.924
   29    HA   ASP   4           HA       ASP   4 -22.234  20.015  16.213
   30   1HB   ASP   4          1HB       ASP   4 -23.808  20.825  13.773
   31   2HB   ASP   4          2HB       ASP   4 -22.069  20.554  13.667
   32    H    GLN   5           H        GLN   5 -22.339  22.197  17.716
   33    HA   GLN   5           HA       GLN   5 -21.021  24.358  16.097
   34   1HB   GLN   5          1HB       GLN   5 -23.386  24.688  17.133
   35   2HB   GLN   5          2HB       GLN   5 -22.535  24.773  18.675
   36   1HG   GLN   5          1HG       GLN   5 -21.058  26.559  17.646
   37   2HG   GLN   5          2HG       GLN   5 -22.157  26.569  16.266
   38   2HE2  GLN   5          2HE2      GLN   5 -21.591  28.578  18.606
   39   1HE2  GLN   5          1HE2      GLN   5 -23.149  28.972  19.155
   40    H    GLU   6           H        GLU   6 -20.779  22.146  18.705
   41    HA   GLU   6           HA       GLU   6 -18.079  23.134  19.369
   42   1HB   GLU   6          1HB       GLU   6 -20.445  23.153  21.263
   43   2HB   GLU   6          2HB       GLU   6 -18.776  23.222  21.830
   44   1HG   GLU   6          1HG       GLU   6 -18.437  25.237  20.364
   45   2HG   GLU   6          2HG       GLU   6 -20.163  25.206  20.002
   46    H    MET   7           H        MET   7 -19.288  20.679  18.236
   47    HA   MET   7           HA       MET   7 -19.683  18.496  19.855
   48   1HB   MET   7          1HB       MET   7 -19.450  18.684  17.319
   49   2HB   MET   7          2HB       MET   7 -17.711  18.524  17.559
   50   1HG   MET   7          1HG       MET   7 -18.444  16.306  17.168
   51   2HG   MET   7          2HG       MET   7 -18.291  16.404  18.922
   52   1HE   MET   7          1HE       MET   7 -19.436  14.248  18.294
   53   2HE   MET   7          2HE       MET   7 -21.162  14.048  18.584
   54   3HE   MET   7          3HE       MET   7 -20.564  14.332  16.944
   55    H    CYS   8           H        CYS   8 -16.395  19.485  18.802
   56    HA   CYS   8           HA       CYS   8 -15.109  17.821  20.819
   57   1HB   CYS   8          1HB       CYS   8 -14.287  18.525  18.491
   58   2HB   CYS   8          2HB       CYS   8 -13.920  20.093  19.211
   59    H    HIS   9           H        HIS   9 -15.420  18.465  22.944
   60    HA   HIS   9           HA       HIS   9 -15.332  21.357  23.626
   61   1HB   HIS   9          1HB       HIS   9 -16.027  18.809  25.114
   62   2HB   HIS   9          2HB       HIS   9 -16.033  20.399  25.874
   63    HD1  HIS   9           HD1      HIS   9 -18.131  18.147  23.933
   64    HD2  HIS   9           HD2      HIS   9 -17.895  22.274  24.464
   65    HE1  HIS   9           HE1      HIS   9 -20.327  19.101  23.108
   66    H    GLU  10           H        GLU  10 -13.170  18.790  23.354
   67    HA   GLU  10           HA       GLU  10 -11.522  19.348  25.708
   68   1HB   GLU  10          1HB       GLU  10 -11.244  17.721  23.171
   69   2HB   GLU  10          2HB       GLU  10  -9.954  17.810  24.370
   70   1HG   GLU  10          1HG       GLU  10 -11.507  16.982  26.103
   71   2HG   GLU  10          2HG       GLU  10 -12.797  16.894  24.904
   72    H    PHE  11           H        PHE  11 -11.175  19.927  22.183
   73    HA   PHE  11           HA       PHE  11  -8.798  21.608  22.608
   74   1HB   PHE  11          1HB       PHE  11 -10.486  20.734  20.263
   75   2HB   PHE  11          2HB       PHE  11  -9.170  21.887  20.070
   76    HD1  PHE  11           HD1      PHE  11  -6.840  21.226  20.415
   77    HD2  PHE  11           HD2      PHE  11 -10.040  18.394  20.854
   78    HE1  PHE  11           HE1      PHE  11  -5.202  19.366  20.349
   79    HE2  PHE  11           HE2      PHE  11  -8.402  16.535  20.786
   80    HZ   PHE  11           HZ       PHE  11  -5.984  17.024  20.534
   81    H    GLN  12           H        GLN  12 -12.205  22.069  22.583
   82    HA   GLN  12           HA       GLN  12 -12.671  24.536  21.403
   83   1HB   GLN  12          1HB       GLN  12 -14.373  23.216  22.549
   84   2HB   GLN  12          2HB       GLN  12 -13.577  23.481  24.101
   85   1HG   GLN  12          1HG       GLN  12 -13.888  26.000  23.619
   86   2HG   GLN  12          2HG       GLN  12 -15.024  25.489  22.370
   87   2HE2  GLN  12          2HE2      GLN  12 -16.571  26.730  23.937
   88   1HE2  GLN  12          1HE2      GLN  12 -17.272  25.823  25.189
   89    H    ALA  13           H        ALA  13 -11.231  23.967  24.624
   90    HA   ALA  13           HA       ALA  13 -10.930  26.668  25.432
   91   1HB   ALA  13          1HB       ALA  13  -8.788  25.429  26.534
   92   2HB   ALA  13          2HB       ALA  13 -10.435  25.175  27.112
   93   3HB   ALA  13          3HB       ALA  13  -9.702  24.018  26.002
   94    H    PHE  14           H        PHE  14  -9.311  24.883  22.940
   95    HA   PHE  14           HA       PHE  14  -7.035  26.791  22.853
   96   1HB   PHE  14          1HB       PHE  14  -7.664  24.348  21.174
   97   2HB   PHE  14          2HB       PHE  14  -6.103  25.145  21.346
   98    HD1  PHE  14           HD1      PHE  14  -6.411  25.718  24.371
   99    HD2  PHE  14           HD2      PHE  14  -6.960  22.184  21.995
  100    HE1  PHE  14           HE1      PHE  14  -5.915  24.308  26.351
  101    HE2  PHE  14           HE2      PHE  14  -6.462  20.774  23.969
  102    HZ   PHE  14           HZ       PHE  14  -5.940  21.836  26.151
  103    H    MET  15           H        MET  15  -9.991  27.321  21.991
  104    HA   MET  15           HA       MET  15  -9.604  27.847  19.098
  105   1HB   MET  15          1HB       MET  15 -12.003  28.237  19.158
  106   2HB   MET  15          2HB       MET  15 -11.658  26.770  20.066
  107   1HG   MET  15          1HG       MET  15 -11.527  28.374  22.125
  108   2HG   MET  15          2HG       MET  15 -12.415  29.496  21.094
  109   1HE   MET  15          1HE       MET  15 -14.112  28.862  19.657
  110   2HE   MET  15          2HE       MET  15 -14.663  27.200  19.465
  111   3HE   MET  15          3HE       MET  15 -15.627  28.354  20.396
  112    H    LYS  16           H        LYS  16  -8.345  29.706  18.879
  113    HA   LYS  16           HA       LYS  16  -8.716  32.020  20.654
  114   1HB   LYS  16          1HB       LYS  16  -6.545  31.153  19.626
  115   2HB   LYS  16          2HB       LYS  16  -7.127  31.786  18.085
  116   1HG   LYS  16          1HG       LYS  16  -7.529  33.892  19.871
  117   2HG   LYS  16          2HG       LYS  16  -5.974  33.215  20.354
  118   1HD   LYS  16          1HD       LYS  16  -5.207  33.342  17.995
  119   2HD   LYS  16          2HD       LYS  16  -6.750  34.071  17.548
  120   1HE   LYS  16          1HE       LYS  16  -6.300  36.049  18.800
  121   2HE   LYS  16          2HE       LYS  16  -4.970  35.276  19.685
  122   1HZ   LYS  16          1HZ       LYS  16  -5.036  35.657  16.734
  123   2HZ   LYS  16          2HZ       LYS  16  -4.206  36.681  17.806
  124   3HZ   LYS  16          3HZ       LYS  16  -3.741  35.055  17.648
  125    H    ASN  17           H        ASN  17 -10.849  32.788  20.232
  126    HA   ASN  17           HA       ASN  17 -12.494  34.024  19.069
  127   1HB   ASN  17          1HB       ASN  17 -10.052  34.660  17.380
  128   2HB   ASN  17          2HB       ASN  17 -11.545  35.599  17.420
  129   2HD2  ASN  17          2HD2      ASN  17  -8.461  35.566  18.679
  130   1HD2  ASN  17          1HD2      ASN  17  -8.738  36.415  20.121
  131    H    GLY  18           H        GLY  18 -12.677  31.393  18.439
  132   1HA   GLY  18          1HA       GLY  18 -13.629  31.458  15.682
  133   2HA   GLY  18          2HA       GLY  18 -13.726  30.080  16.779
  134    H    LYS  19           H        LYS  19 -10.589  31.168  16.869
  135    HA   LYS  19           HA       LYS  19  -9.729  29.526  14.524
  136   1HB   LYS  19          1HB       LYS  19  -9.061  32.002  15.032
  137   2HB   LYS  19          2HB       LYS  19  -7.984  31.291  16.234
  138   1HG   LYS  19          1HG       LYS  19  -8.028  30.410  13.337
  139   2HG   LYS  19          2HG       LYS  19  -6.946  31.665  13.943
  140   1HD   LYS  19          1HD       LYS  19  -6.086  30.029  15.636
  141   2HD   LYS  19          2HD       LYS  19  -7.080  28.783  14.880
  142   1HE   LYS  19          1HE       LYS  19  -5.804  28.801  12.893
  143   2HE   LYS  19          2HE       LYS  19  -5.125  30.403  13.239
  144   1HZ   LYS  19          1HZ       LYS  19  -4.300  29.214  15.386
  145   2HZ   LYS  19          2HZ       LYS  19  -4.480  27.800  14.462
  146   3HZ   LYS  19          3HZ       LYS  19  -3.429  29.025  13.939
  147    H    LEU  20           H        LEU  20  -9.539  27.409  15.244
  148    HA   LEU  20           HA       LEU  20  -8.534  26.801  17.944
  149   1HB   LEU  20          1HB       LEU  20 -10.268  25.405  17.140
  150   2HB   LEU  20          2HB       LEU  20  -9.532  25.267  15.544
  151    HG   LEU  20           HG       LEU  20  -7.614  24.032  16.627
  152   1HD1  LEU  20          1HD1      LEU  20  -9.470  24.283  19.001
  153   2HD1  LEU  20          2HD1      LEU  20  -8.236  23.028  18.901
  154   3HD1  LEU  20          3HD1      LEU  20  -7.766  24.727  18.903
  155   1HD2  LEU  20          1HD2      LEU  20 -10.295  23.141  16.080
  156   2HD2  LEU  20          2HD2      LEU  20  -8.780  22.264  15.866
  157   3HD2  LEU  20          3HD2      LEU  20  -9.630  22.193  17.409
  158    H    PHE  21           H        PHE  21  -6.350  26.812  18.303
  159    HA   PHE  21           HA       PHE  21  -4.507  26.327  16.020
  160   1HB   PHE  21          1HB       PHE  21  -2.811  27.017  17.866
  161   2HB   PHE  21          2HB       PHE  21  -3.907  28.251  17.253
  162    HD1  PHE  21           HD1      PHE  21  -3.155  26.017  20.100
  163    HD2  PHE  21           HD2      PHE  21  -5.694  29.151  18.620
  164    HE1  PHE  21           HE1      PHE  21  -4.010  26.407  22.392
  165    HE2  PHE  21           HE2      PHE  21  -6.550  29.541  20.914
  166    HZ   PHE  21           HZ       PHE  21  -5.707  28.169  22.801
  167    H    CYS  22           H        CYS  22  -4.890  24.036  15.862
  168    HA   CYS  22           HA       CYS  22  -4.763  22.146  17.945
  169   1HB   CYS  22          1HB       CYS  22  -5.529  21.601  15.731
  170   2HB   CYS  22          2HB       CYS  22  -3.973  22.019  15.025
  171    HA   PRO  23           HA       PRO  23   0.010  21.809  17.063
  172   1HB   PRO  23          1HB       PRO  23   0.900  24.473  16.444
  173   2HB   PRO  23          2HB       PRO  23   1.030  23.020  15.449
  174   1HG   PRO  23          1HG       PRO  23  -0.682  25.278  15.039
  175   2HG   PRO  23          2HG       PRO  23  -0.589  23.804  14.071
  176   1HD   PRO  23          1HD       PRO  23  -2.688  24.630  15.877
  177   2HD   PRO  23          2HD       PRO  23  -2.631  23.181  14.853
  178    H    GLN  24           H        GLN  24  -0.609  21.764  19.409
  179    HA   GLN  24           HA       GLN  24   0.257  24.232  20.882
  180   1HB   GLN  24          1HB       GLN  24  -2.070  23.674  21.253
  181   2HB   GLN  24          2HB       GLN  24  -1.668  21.981  21.540
  182   1HG   GLN  24          1HG       GLN  24  -0.489  22.549  23.583
  183   2HG   GLN  24          2HG       GLN  24  -0.671  24.272  23.259
  184   2HE2  GLN  24          2HE2      GLN  24  -2.730  21.330  23.655
  185   1HE2  GLN  24          1HE2      GLN  24  -3.989  22.141  24.453
  186    H    ASP  25           H        ASP  25  -0.186  21.092  22.364
  187    HA   ASP  25           HA       ASP  25   2.780  20.730  22.552
  188   1HB   ASP  25          1HB       ASP  25   1.763  21.895  24.544
  189   2HB   ASP  25          2HB       ASP  25   0.764  20.465  24.808
  190    H    LYS  26           H        LYS  26   1.860  19.162  20.750
  191    HA   LYS  26           HA       LYS  26   0.234  16.935  21.274
  192   1HB   LYS  26          1HB       LYS  26   2.634  17.445  19.524
  193   2HB   LYS  26          2HB       LYS  26   1.803  15.890  19.487
  194   1HG   LYS  26          1HG       LYS  26  -0.354  17.171  19.101
  195   2HG   LYS  26          2HG       LYS  26   0.630  18.619  18.885
  196   1HD   LYS  26          1HD       LYS  26   1.938  17.249  17.134
  197   2HD   LYS  26          2HD       LYS  26   0.589  16.115  17.196
  198   1HE   LYS  26          1HE       LYS  26  -0.967  18.012  16.664
  199   2HE   LYS  26          2HE       LYS  26   0.448  19.063  16.463
  200   1HZ   LYS  26          1HZ       LYS  26   0.356  16.447  15.108
  201   2HZ   LYS  26          2HZ       LYS  26  -0.479  17.760  14.427
  202   3HZ   LYS  26          3HZ       LYS  26   1.197  17.854  14.664
  203    H    LYS  27           H        LYS  27   3.306  17.624  22.690
  204    HA   LYS  27           HA       LYS  27   4.651  15.275  23.082
  205   1HB   LYS  27          1HB       LYS  27   3.801  17.372  25.099
  206   2HB   LYS  27          2HB       LYS  27   5.060  16.180  25.407
  207   1HG   LYS  27          1HG       LYS  27   5.084  18.123  23.080
  208   2HG   LYS  27          2HG       LYS  27   5.962  18.369  24.589
  209   1HD   LYS  27          1HD       LYS  27   7.128  16.181  24.199
  210   2HD   LYS  27          2HD       LYS  27   6.340  16.092  22.623
  211   1HE   LYS  27          1HE       LYS  27   7.365  18.392  22.134
  212   2HE   LYS  27          2HE       LYS  27   8.365  18.134  23.577
  213   1HZ   LYS  27          1HZ       LYS  27   8.086  16.061  21.479
  214   2HZ   LYS  27          2HZ       LYS  27   9.269  17.274  21.360
  215   3HZ   LYS  27          3HZ       LYS  27   9.288  16.199  22.672
  216    H    PHE  28           H        PHE  28   1.422  16.008  24.306
  217    HA   PHE  28           HA       PHE  28   1.124  14.082  26.339
  218   1HB   PHE  28          1HB       PHE  28  -0.854  14.869  24.171
  219   2HB   PHE  28          2HB       PHE  28  -1.256  14.234  25.765
  220    HD1  PHE  28           HD1      PHE  28   0.002  15.582  27.766
  221    HD2  PHE  28           HD2      PHE  28  -1.009  17.169  23.907
  222    HE1  PHE  28           HE1      PHE  28   0.064  17.882  28.693
  223    HE2  PHE  28           HE2      PHE  28  -0.949  19.467  24.832
  224    HZ   PHE  28           HZ       PHE  28  -0.412  19.824  27.224
  225    H    PHE  29           H        PHE  29   1.575  13.633  22.930
  226    HA   PHE  29           HA       PHE  29   0.344  11.211  22.316
  227   1HB   PHE  29          1HB       PHE  29   1.736  12.639  20.828
  228   2HB   PHE  29          2HB       PHE  29   3.180  12.095  21.682
  229    HD1  PHE  29           HD1      PHE  29   3.423   9.450  21.879
  230    HD2  PHE  29           HD2      PHE  29   1.082  11.489  18.909
  231    HE1  PHE  29           HE1      PHE  29   3.531   7.448  20.420
  232    HE2  PHE  29           HE2      PHE  29   1.190   9.486  17.451
  233    HZ   PHE  29           HZ       PHE  29   2.415   7.466  18.205
  234    H    GLN  30           H        GLN  30   2.929  11.777  24.588
  235    HA   GLN  30           HA       GLN  30   4.018   9.114  24.695
  236   1HB   GLN  30          1HB       GLN  30   3.904  11.486  26.571
  237   2HB   GLN  30          2HB       GLN  30   4.794  10.016  26.969
  238   1HG   GLN  30          1HG       GLN  30   5.867  10.341  24.602
  239   2HG   GLN  30          2HG       GLN  30   5.311  12.005  24.772
  240   2HE2  GLN  30          2HE2      GLN  30   6.785  13.362  25.790
  241   1HE2  GLN  30          1HE2      GLN  30   7.990  12.858  26.873
  242    H    SER  31           H        SER  31   0.940  10.210  25.526
  243    HA   SER  31           HA       SER  31   0.556   7.868  27.353
  244   1HB   SER  31          1HB       SER  31  -0.849   9.325  28.763
  245   2HB   SER  31          2HB       SER  31   0.778   9.990  28.620
  246    HG   SER  31           HG       SER  31  -0.160  11.199  26.770
  247    H    LEU  32           H        LEU  32  -1.597   6.968  27.257
  248    HA   LEU  32           HA       LEU  32  -2.854   6.839  24.744
  249   1HB   LEU  32          1HB       LEU  32  -3.080   5.361  26.817
  250   2HB   LEU  32          2HB       LEU  32  -4.224   6.558  27.424
  251    HG   LEU  32           HG       LEU  32  -5.270   4.596  26.194
  252   1HD1  LEU  32          1HD1      LEU  32  -6.171   7.051  26.450
  253   2HD1  LEU  32          2HD1      LEU  32  -5.843   7.153  24.720
  254   3HD1  LEU  32          3HD1      LEU  32  -6.974   5.946  25.333
  255   1HD2  LEU  32          1HD2      LEU  32  -3.400   4.634  24.429
  256   2HD2  LEU  32          2HD2      LEU  32  -5.049   4.432  23.832
  257   3HD2  LEU  32          3HD2      LEU  32  -4.256   6.004  23.719
  258    H    ASP  33           H        ASP  33  -3.899   8.733  27.589
  259    HA   ASP  33           HA       ASP  33  -6.115  10.044  26.442
  260   1HB   ASP  33          1HB       ASP  33  -4.035  10.825  28.499
  261   2HB   ASP  33          2HB       ASP  33  -5.414  11.865  28.141
  262    H    GLY  34           H        GLY  34  -2.660  10.804  26.268
  263   1HA   GLY  34          1HA       GLY  34  -1.513  12.390  24.954
  264   2HA   GLY  34          2HA       GLY  34  -3.034  13.261  24.775
  265    H    ILE  35           H        ILE  35  -2.177   9.917  23.926
  266    HA   ILE  35           HA       ILE  35  -1.925  10.248  21.123
  267    HB   ILE  35           HB       ILE  35  -2.681   8.043  23.019
  268   1HG1  ILE  35          1HG1      ILE  35  -0.329   8.608  22.744
  269   2HG1  ILE  35          2HG1      ILE  35  -0.629   7.040  21.992
  270   1HG2  ILE  35          1HG2      ILE  35  -2.944   7.971  20.010
  271   2HG2  ILE  35          2HG2      ILE  35  -2.621   6.511  20.944
  272   3HG2  ILE  35          3HG2      ILE  35  -4.104   7.426  21.221
  273   1HD1  ILE  35          1HD1      ILE  35  -1.160   8.762  19.918
  274   2HD1  ILE  35          2HD1      ILE  35   0.148   9.599  20.753
  275   3HD1  ILE  35          3HD1      ILE  35   0.388   7.952  20.172
  276    H    MET  36           H        MET  36  -4.783   9.908  23.183
  277    HA   MET  36           HA       MET  36  -6.662   9.650  20.971
  278   1HB   MET  36          1HB       MET  36  -6.687   9.999  23.925
  279   2HB   MET  36          2HB       MET  36  -8.141  10.493  23.055
  280   1HG   MET  36          1HG       MET  36  -6.799   7.787  22.757
  281   2HG   MET  36          2HG       MET  36  -8.206   8.094  23.776
  282   1HE   MET  36          1HE       MET  36 -10.335   8.487  23.235
  283   2HE   MET  36          2HE       MET  36 -11.138   8.067  21.724
  284   3HE   MET  36          3HE       MET  36 -10.295   6.823  22.658
  285    H    PHE  37           H        PHE  37  -6.293  12.309  23.365
  286    HA   PHE  37           HA       PHE  37  -7.800  14.244  22.035
  287   1HB   PHE  37          1HB       PHE  37  -7.087  15.356  23.869
  288   2HB   PHE  37          2HB       PHE  37  -5.936  14.060  24.182
  289    HD1  PHE  37           HD1      PHE  37  -3.615  14.206  23.291
  290    HD2  PHE  37           HD2      PHE  37  -6.390  17.459  22.941
  291    HE1  PHE  37           HE1      PHE  37  -1.744  15.740  22.769
  292    HE2  PHE  37           HE2      PHE  37  -4.516  18.999  22.419
  293    HZ   PHE  37           HZ       PHE  37  -2.195  18.133  22.329
  294    H    ILE  38           H        ILE  38  -4.295  13.588  21.579
  295    HA   ILE  38           HA       ILE  38  -3.731  15.503  19.603
  296    HB   ILE  38           HB       ILE  38  -2.804  12.662  20.074
  297   1HG1  ILE  38          1HG1      ILE  38  -1.733  15.428  20.665
  298   2HG1  ILE  38          2HG1      ILE  38  -2.085  14.130  21.804
  299   1HG2  ILE  38          1HG2      ILE  38  -2.534  13.240  17.668
  300   2HG2  ILE  38          2HG2      ILE  38  -1.639  14.686  18.138
  301   3HG2  ILE  38          3HG2      ILE  38  -0.981  13.088  18.491
  302   1HD1  ILE  38          1HD1      ILE  38  -0.264  12.956  20.082
  303   2HD1  ILE  38          2HD1      ILE  38   0.333  14.611  20.218
  304   3HD1  ILE  38          3HD1      ILE  38   0.119  13.628  21.667
  305    H    ASN  39           H        ASN  39  -5.282  12.323  19.290
  306    HA   ASN  39           HA       ASN  39  -5.465  12.344  16.407
  307   1HB   ASN  39          1HB       ASN  39  -7.047  10.966  18.600
  308   2HB   ASN  39          2HB       ASN  39  -7.182  10.563  16.889
  309   2HD2  ASN  39          2HD2      ASN  39  -6.237   8.654  18.828
  310   1HD2  ASN  39          1HD2      ASN  39  -4.604   8.330  18.498
  311    H    LYS  40           H        LYS  40  -7.571  13.476  19.019
  312    HA   LYS  40           HA       LYS  40  -9.809  14.183  17.323
  313   1HB   LYS  40          1HB       LYS  40  -8.849  14.823  20.110
  314   2HB   LYS  40          2HB       LYS  40 -10.274  15.629  19.454
  315   1HG   LYS  40          1HG       LYS  40 -11.437  13.567  19.180
  316   2HG   LYS  40          2HG       LYS  40  -9.967  12.621  19.413
  317   1HD   LYS  40          1HD       LYS  40  -9.927  13.855  21.755
  318   2HD   LYS  40          2HD       LYS  40 -11.654  14.041  21.446
  319   1HE   LYS  40          1HE       LYS  40 -11.637  11.498  20.925
  320   2HE   LYS  40          2HE       LYS  40 -10.064  11.486  21.745
  321   1HZ   LYS  40          1HZ       LYS  40 -11.235  12.824  23.542
  322   2HZ   LYS  40          2HZ       LYS  40 -12.693  12.346  22.815
  323   3HZ   LYS  40          3HZ       LYS  40 -11.634  11.179  23.450
  324    H    CYS  41           H        CYS  41  -6.866  15.841  18.368
  325    HA   CYS  41           HA       CYS  41  -7.364  18.522  17.914
  326   1HB   CYS  41          1HB       CYS  41  -5.185  17.021  18.332
  327   2HB   CYS  41          2HB       CYS  41  -4.962  17.309  16.607
  328    H    ALA  42           H        ALA  42  -6.069  16.451  15.289
  329    HA   ALA  42           HA       ALA  42  -6.637  18.203  13.151
  330   1HB   ALA  42          1HB       ALA  42  -6.719  15.169  13.152
  331   2HB   ALA  42          2HB       ALA  42  -6.317  16.211  11.787
  332   3HB   ALA  42          3HB       ALA  42  -5.229  16.112  13.172
  333    H    THR  43           H        THR  43  -8.714  15.804  14.738
  334    HA   THR  43           HA       THR  43 -10.884  15.942  12.836
  335    HB   THR  43           HB       THR  43 -10.750  15.183  15.773
  336    HG1  THR  43           HG1      THR  43 -10.353  13.833  13.339
  337   1HG2  THR  43          1HG2      THR  43 -12.908  15.004  13.701
  338   2HG2  THR  43          2HG2      THR  43 -12.775  13.728  14.912
  339   3HG2  THR  43          3HG2      THR  43 -13.036  15.397  15.415
  340    H    CYS  44           H        CYS  44 -10.565  17.341  16.125
  341    HA   CYS  44           HA       CYS  44 -12.910  18.922  16.095
  342   1HB   CYS  44          1HB       CYS  44 -10.228  19.541  17.374
  343   2HB   CYS  44          2HB       CYS  44 -11.807  20.099  17.926
  344    H    LYS  45           H        LYS  45  -9.660  19.611  14.838
  345    HA   LYS  45           HA       LYS  45  -9.893  22.371  14.303
  346   1HB   LYS  45          1HB       LYS  45  -7.830  21.109  14.070
  347   2HB   LYS  45          2HB       LYS  45  -8.537  20.114  12.796
  348   1HG   LYS  45          1HG       LYS  45  -8.955  22.539  11.710
  349   2HG   LYS  45          2HG       LYS  45  -7.531  22.918  12.679
  350   1HD   LYS  45          1HD       LYS  45  -7.619  20.486  10.891
  351   2HD   LYS  45          2HD       LYS  45  -7.131  22.065  10.274
  352   1HE   LYS  45          1HE       LYS  45  -5.428  22.159  12.168
  353   2HE   LYS  45          2HE       LYS  45  -5.807  20.453  12.478
  354   1HZ   LYS  45          1HZ       LYS  45  -5.373  20.013  10.107
  355   2HZ   LYS  45          2HZ       LYS  45  -4.898  21.630   9.899
  356   3HZ   LYS  45          3HZ       LYS  45  -3.996  20.600  10.905
  357    H    MET  46           H        MET  46 -10.845  19.609  12.224
  358    HA   MET  46           HA       MET  46 -11.822  21.240  10.060
  359   1HB   MET  46          1HB       MET  46 -12.667  19.136   9.235
  360   2HB   MET  46          2HB       MET  46 -11.138  18.803  10.044
  361   1HG   MET  46          1HG       MET  46 -12.154  17.416  11.492
  362   2HG   MET  46          2HG       MET  46 -13.295  18.674  11.954
  363   1HE   MET  46          1HE       MET  46 -12.189  16.002   9.824
  364   2HE   MET  46          2HE       MET  46 -13.612  15.211   9.151
  365   3HE   MET  46          3HE       MET  46 -12.887  16.593   8.318
  366    H    ILE  47           H        ILE  47 -13.194  20.271  13.110
  367    HA   ILE  47           HA       ILE  47 -15.977  20.456  12.546
  368    HB   ILE  47           HB       ILE  47 -14.425  21.255  15.032
  369   1HG1  ILE  47          1HG1      ILE  47 -13.812  19.009  14.351
  370   2HG1  ILE  47          2HG1      ILE  47 -14.922  18.886  15.715
  371   1HG2  ILE  47          1HG2      ILE  47 -17.306  20.862  14.401
  372   2HG2  ILE  47          2HG2      ILE  47 -16.735  20.196  15.931
  373   3HG2  ILE  47          3HG2      ILE  47 -16.550  21.917  15.594
  374   1HD1  ILE  47          1HD1      ILE  47 -16.744  18.830  13.778
  375   2HD1  ILE  47          2HD1      ILE  47 -15.380  18.240  12.829
  376   3HD1  ILE  47          3HD1      ILE  47 -15.899  17.362  14.268
  377    H    LEU  48           H        LEU  48 -13.571  22.960  13.295
  378    HA   LEU  48           HA       LEU  48 -15.515  25.133  13.396
  379   1HB   LEU  48          1HB       LEU  48 -12.499  24.908  13.208
  380   2HB   LEU  48          2HB       LEU  48 -13.326  26.464  13.293
  381    HG   LEU  48           HG       LEU  48 -12.706  25.853  15.543
  382   1HD1  LEU  48          1HD1      LEU  48 -15.289  26.410  14.768
  383   2HD1  LEU  48          2HD1      LEU  48 -15.504  24.964  15.753
  384   3HD1  LEU  48          3HD1      LEU  48 -14.723  26.389  16.438
  385   1HD2  LEU  48          1HD2      LEU  48 -12.569  23.351  14.869
  386   2HD2  LEU  48          2HD2      LEU  48 -13.087  23.735  16.511
  387   3HD2  LEU  48          3HD2      LEU  48 -14.280  23.294  15.290
  388    H    GLU  49           H        GLU  49 -13.236  23.849  10.980
  389    HA   GLU  49           HA       GLU  49 -13.587  25.852   8.979
  390   1HB   GLU  49          1HB       GLU  49 -13.038  22.873   8.750
  391   2HB   GLU  49          2HB       GLU  49 -12.702  24.071   7.500
  392   1HG   GLU  49          1HG       GLU  49 -11.135  25.224   8.991
  393   2HG   GLU  49          2HG       GLU  49 -11.511  24.093  10.291
  394    H    LYS  50           H        LYS  50 -15.579  23.116   9.921
  395    HA   LYS  50           HA       LYS  50 -17.196  22.940   7.550
  396   1HB   LYS  50          1HB       LYS  50 -17.547  22.215  10.466
  397   2HB   LYS  50          2HB       LYS  50 -18.775  21.841   9.257
  398   1HG   LYS  50          1HG       LYS  50 -15.924  21.068   8.727
  399   2HG   LYS  50          2HG       LYS  50 -16.891  20.076   9.819
  400   1HD   LYS  50          1HD       LYS  50 -18.520  19.635   8.118
  401   2HD   LYS  50          2HD       LYS  50 -17.845  20.872   7.058
  402   1HE   LYS  50          1HE       LYS  50 -15.711  19.526   6.961
  403   2HE   LYS  50          2HE       LYS  50 -16.551  18.241   7.849
  404   1HZ   LYS  50          1HZ       LYS  50 -17.856  19.460   5.513
  405   2HZ   LYS  50          2HZ       LYS  50 -16.631  18.313   5.246
  406   3HZ   LYS  50          3HZ       LYS  50 -18.013  17.886   6.132
  407    H    GLU  51           H        GLU  51 -17.479  24.852  10.539
  408    HA   GLU  51           HA       GLU  51 -20.093  25.907  10.101
  409   1HB   GLU  51          1HB       GLU  51 -17.624  26.990  11.493
  410   2HB   GLU  51          2HB       GLU  51 -19.234  27.691  11.665
  411   1HG   GLU  51          1HG       GLU  51 -20.082  25.532  12.516
  412   2HG   GLU  51          2HG       GLU  51 -18.471  24.834  12.348
  413    H    ALA  52           H        ALA  52 -17.036  26.629   8.597
  414    HA   ALA  52           HA       ALA  52 -17.792  29.288   7.633
  415   1HB   ALA  52          1HB       ALA  52 -15.475  28.757   8.028
  416   2HB   ALA  52          2HB       ALA  52 -15.667  28.908   6.281
  417   3HB   ALA  52          3HB       ALA  52 -15.577  27.311   7.025
  418    H    LYS  53           H        LYS  53 -18.602  29.785   5.577
  419    HA   LYS  53           HA       LYS  53 -20.010  27.688   4.131
  420   1HB   LYS  53          1HB       LYS  53 -19.455  30.627   3.625
  421   2HB   LYS  53          2HB       LYS  53 -20.543  29.654   2.635
  422   1HG   LYS  53          1HG       LYS  53 -21.980  29.218   4.532
  423   2HG   LYS  53          2HG       LYS  53 -20.832  29.974   5.636
  424   1HD   LYS  53          1HD       LYS  53 -21.158  32.140   4.509
  425   2HD   LYS  53          2HD       LYS  53 -22.283  31.389   3.377
  426   1HE   LYS  53          1HE       LYS  53 -22.645  31.735   6.371
  427   2HE   LYS  53          2HE       LYS  53 -23.653  32.399   5.073
  428   1HZ   LYS  53          1HZ       LYS  53 -23.854  29.948   4.357
  429   2HZ   LYS  53          2HZ       LYS  53 -23.359  29.589   5.942
  430   3HZ   LYS  53          3HZ       LYS  53 -24.782  30.474   5.679
  431    H    SER  54           H        SER  54 -16.787  28.486   4.174
  432    HA   SER  54           HA       SER  54 -16.157  28.483   1.339
  433   1HB   SER  54          1HB       SER  54 -14.539  27.910   3.843
  434   2HB   SER  54          2HB       SER  54 -13.846  28.175   2.242
  435    HG   SER  54           HG       SER  54 -14.794  29.971   4.047
  436    H    GLN  55           H        GLN  55 -16.852  26.014   3.685
  437    HA   GLN  55           HA       GLN  55 -15.709  23.900   1.907
  438   1HB   GLN  55          1HB       GLN  55 -16.615  24.014   4.796
  439   2HB   GLN  55          2HB       GLN  55 -16.162  22.507   4.000
  440   1HG   GLN  55          1HG       GLN  55 -13.957  23.617   3.398
  441   2HG   GLN  55          2HG       GLN  55 -14.420  24.940   4.469
  442   2HE2  GLN  55          2HE2      GLN  55 -12.208  22.862   4.764
  443   1HE2  GLN  55          1HE2      GLN  55 -12.493  22.143   6.275

  No H/Q in entry =         443
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -26.293  25.366  23.799
    2    H2   LYS   1           H2       LYS   1 -26.687  25.065  25.420
    3    H3   LYS   1           H3       LYS   1 -25.401  26.110  25.040
    4    HA   LYS   1           HA       LYS   1 -23.989  24.394  24.424
    5   1HB   LYS   1          1HB       LYS   1 -24.707  24.532  26.857
    6   2HB   LYS   1          2HB       LYS   1 -25.813  23.198  26.530
    7   1HG   LYS   1          1HG       LYS   1 -23.930  21.785  25.827
    8   2HG   LYS   1          2HG       LYS   1 -22.811  23.122  26.094
    9   1HD   LYS   1          1HD       LYS   1 -23.584  23.171  28.500
   10   2HD   LYS   1          2HD       LYS   1 -24.483  21.688  28.177
   11   1HE   LYS   1          1HE       LYS   1 -22.344  20.596  27.458
   12   2HE   LYS   1          2HE       LYS   1 -21.476  22.069  27.931
   13   1HZ   LYS   1          1HZ       LYS   1 -23.304  20.542  29.716
   14   2HZ   LYS   1          2HZ       LYS   1 -21.614  20.389  29.736
   15   3HZ   LYS   1          3HZ       LYS   1 -22.337  21.870  30.149
   16    H    ASN   2           H        ASN   2 -24.827  23.777  22.242
   17    HA   ASN   2           HA       ASN   2 -26.397  21.221  22.303
   18   1HB   ASN   2          1HB       ASN   2 -27.497  23.172  21.235
   19   2HB   ASN   2          2HB       ASN   2 -26.121  23.340  20.146
   20   2HD2  ASN   2          2HD2      ASN   2 -27.010  20.071  20.982
   21   1HD2  ASN   2          1HD2      ASN   2 -27.776  19.690  19.517
   22    H    GLU   3           H        GLU   3 -25.188  19.459  21.743
   23    HA   GLU   3           HA       GLU   3 -22.470  19.624  20.827
   24   1HB   GLU   3          1HB       GLU   3 -24.500  17.367  20.782
   25   2HB   GLU   3          2HB       GLU   3 -22.755  17.166  20.618
   26   1HG   GLU   3          1HG       GLU   3 -24.111  18.450  23.009
   27   2HG   GLU   3          2HG       GLU   3 -23.575  16.770  22.954
   28    H    ASP   4           H        ASP   4 -25.459  19.865  19.149
   29    HA   ASP   4           HA       ASP   4 -24.563  18.782  16.593
   30   1HB   ASP   4          1HB       ASP   4 -26.889  20.373  17.653
   31   2HB   ASP   4          2HB       ASP   4 -26.699  20.145  15.915
   32    H    GLN   5           H        GLN   5 -23.553  21.452  18.243
   33    HA   GLN   5           HA       GLN   5 -23.096  23.016  15.720
   34   1HB   GLN   5          1HB       GLN   5 -23.331  24.043  18.565
   35   2HB   GLN   5          2HB       GLN   5 -23.288  25.010  17.091
   36   1HG   GLN   5          1HG       GLN   5 -25.421  22.922  17.543
   37   2HG   GLN   5          2HG       GLN   5 -25.604  24.569  18.145
   38   2HE2  GLN   5          2HE2      GLN   5 -26.647  22.785  15.649
   39   1HE2  GLN   5          1HE2      GLN   5 -26.630  23.932  14.399
   40    H    GLU   6           H        GLU   6 -21.785  21.807  18.751
   41    HA   GLU   6           HA       GLU   6 -19.031  22.398  17.738
   42   1HB   GLU   6          1HB       GLU   6 -20.293  23.007  20.421
   43   2HB   GLU   6          2HB       GLU   6 -18.543  22.943  20.206
   44   1HG   GLU   6          1HG       GLU   6 -20.441  24.727  18.649
   45   2HG   GLU   6          2HG       GLU   6 -19.389  25.254  19.961
   46    H    MET   7           H        MET   7 -19.967  19.917  17.327
   47    HA   MET   7           HA       MET   7 -20.108  17.943  19.241
   48   1HB   MET   7          1HB       MET   7 -18.506  17.954  16.661
   49   2HB   MET   7          2HB       MET   7 -19.031  16.501  17.512
   50   1HG   MET   7          1HG       MET   7 -21.409  17.418  17.326
   51   2HG   MET   7          2HG       MET   7 -20.760  18.611  16.200
   52   1HE   MET   7          1HE       MET   7 -22.577  17.867  15.009
   53   2HE   MET   7          2HE       MET   7 -22.184  17.039  13.504
   54   3HE   MET   7          3HE       MET   7 -23.037  16.180  14.794
   55    H    CYS   8           H        CYS   8 -17.240  19.782  18.338
   56    HA   CYS   8           HA       CYS   8 -15.549  18.103  20.136
   57   1HB   CYS   8          1HB       CYS   8 -14.632  18.469  17.955
   58   2HB   CYS   8          2HB       CYS   8 -15.032  20.186  18.001
   59    H    HIS   9           H        HIS   9 -15.728  18.833  22.240
   60    HA   HIS   9           HA       HIS   9 -15.724  21.795  22.706
   61   1HB   HIS   9          1HB       HIS   9 -16.774  19.398  24.224
   62   2HB   HIS   9          2HB       HIS   9 -16.622  20.983  24.983
   63    HD1  HIS   9           HD1      HIS   9 -19.298  19.273  23.984
   64    HD2  HIS   9           HD2      HIS   9 -17.720  22.794  22.405
   65    HE1  HIS   9           HE1      HIS   9 -21.194  20.419  22.754
   66    H    GLU  10           H        GLU  10 -13.816  18.981  22.935
   67    HA   GLU  10           HA       GLU  10 -12.309  19.616  25.332
   68   1HB   GLU  10          1HB       GLU  10 -11.912  17.846  22.910
   69   2HB   GLU  10          2HB       GLU  10 -10.733  17.916  24.219
   70   1HG   GLU  10          1HG       GLU  10 -12.486  17.277  25.835
   71   2HG   GLU  10          2HG       GLU  10 -13.667  17.206  24.526
   72    H    PHE  11           H        PHE  11 -11.717  20.089  21.834
   73    HA   PHE  11           HA       PHE  11  -9.222  21.567  22.363
   74   1HB   PHE  11          1HB       PHE  11 -10.829  20.718  19.964
   75   2HB   PHE  11          2HB       PHE  11  -9.467  21.819  19.787
   76    HD1  PHE  11           HD1      PHE  11 -10.414  18.478  21.184
   77    HD2  PHE  11           HD2      PHE  11  -7.261  21.005  19.730
   78    HE1  PHE  11           HE1      PHE  11  -8.843  16.565  21.266
   79    HE2  PHE  11           HE2      PHE  11  -5.688  19.091  19.816
   80    HZ   PHE  11           HZ       PHE  11  -6.479  16.877  20.587
   81    H    GLN  12           H        GLN  12 -12.572  22.306  22.120
   82    HA   GLN  12           HA       GLN  12 -12.759  24.767  20.854
   83   1HB   GLN  12          1HB       GLN  12 -14.515  23.423  22.119
   84   2HB   GLN  12          2HB       GLN  12 -13.895  24.160  23.597
   85   1HG   GLN  12          1HG       GLN  12 -14.492  26.353  22.870
   86   2HG   GLN  12          2HG       GLN  12 -14.767  25.807  21.215
   87   2HE2  GLN  12          2HE2      GLN  12 -17.009  26.738  21.468
   88   1HE2  GLN  12          1HE2      GLN  12 -18.192  25.832  22.282
   89    H    ALA  13           H        ALA  13 -11.538  24.167  24.155
   90    HA   ALA  13           HA       ALA  13 -11.049  26.867  24.901
   91   1HB   ALA  13          1HB       ALA  13  -9.962  25.873  26.702
   92   2HB   ALA  13          2HB       ALA  13  -9.202  24.642  25.692
   93   3HB   ALA  13          3HB       ALA  13 -10.909  24.504  26.117
   94    H    PHE  14           H        PHE  14  -9.419  24.806  22.625
   95    HA   PHE  14           HA       PHE  14  -6.917  26.363  22.666
   96   1HB   PHE  14          1HB       PHE  14  -7.952  24.169  20.843
   97   2HB   PHE  14          2HB       PHE  14  -6.284  24.727  20.944
   98    HD1  PHE  14           HD1      PHE  14  -6.651  25.187  24.101
   99    HD2  PHE  14           HD2      PHE  14  -7.191  21.871  21.430
  100    HE1  PHE  14           HE1      PHE  14  -6.243  23.613  25.973
  101    HE2  PHE  14           HE2      PHE  14  -6.784  20.295  23.298
  102    HZ   PHE  14           HZ       PHE  14  -6.309  21.166  25.572
  103    H    MET  15           H        MET  15  -9.793  27.323  21.704
  104    HA   MET  15           HA       MET  15  -9.178  28.100  18.922
  105   1HB   MET  15          1HB       MET  15 -11.523  28.538  20.792
  106   2HB   MET  15          2HB       MET  15 -11.499  29.033  19.101
  107   1HG   MET  15          1HG       MET  15 -11.042  26.674  18.456
  108   2HG   MET  15          2HG       MET  15 -11.179  26.215  20.149
  109   1HE   MET  15          1HE       MET  15 -13.344  27.404  21.540
  110   2HE   MET  15          2HE       MET  15 -13.350  28.828  20.503
  111   3HE   MET  15          3HE       MET  15 -14.830  27.898  20.717
  112    H    LYS  16           H        LYS  16  -7.736  29.777  18.824
  113    HA   LYS  16           HA       LYS  16  -7.843  31.981  20.806
  114   1HB   LYS  16          1HB       LYS  16  -5.685  31.042  20.174
  115   2HB   LYS  16          2HB       LYS  16  -6.031  31.308  18.465
  116   1HG   LYS  16          1HG       LYS  16  -6.067  33.728  18.817
  117   2HG   LYS  16          2HG       LYS  16  -5.834  33.504  20.550
  118   1HD   LYS  16          1HD       LYS  16  -3.683  32.237  19.924
  119   2HD   LYS  16          2HD       LYS  16  -3.886  32.924  18.312
  120   1HE   LYS  16          1HE       LYS  16  -3.635  34.492  20.907
  121   2HE   LYS  16          2HE       LYS  16  -2.430  34.401  19.609
  122   1HZ   LYS  16          1HZ       LYS  16  -4.301  35.155  18.097
  123   2HZ   LYS  16          2HZ       LYS  16  -5.158  35.562  19.506
  124   3HZ   LYS  16          3HZ       LYS  16  -3.684  36.327  19.155
  125    H    ASN  17           H        ASN  17  -9.596  33.323  20.308
  126    HA   ASN  17           HA       ASN  17 -10.906  34.844  19.054
  127   1HB   ASN  17          1HB       ASN  17  -8.535  35.774  19.010
  128   2HB   ASN  17          2HB       ASN  17  -8.361  35.035  17.418
  129   2HD2  ASN  17          2HD2      ASN  17  -8.851  37.980  18.644
  130   1HD2  ASN  17          1HD2      ASN  17  -9.950  38.627  17.525
  131    H    GLY  18           H        GLY  18 -11.588  32.329  18.336
  132   1HA   GLY  18          1HA       GLY  18 -12.419  32.598  15.591
  133   2HA   GLY  18          2HA       GLY  18 -12.629  31.157  16.587
  134    H    LYS  19           H        LYS  19  -9.598  31.280  17.106
  135    HA   LYS  19           HA       LYS  19  -8.799  29.980  14.524
  136   1HB   LYS  19          1HB       LYS  19  -7.941  32.354  14.999
  137   2HB   LYS  19          2HB       LYS  19  -7.006  31.635  16.311
  138   1HG   LYS  19          1HG       LYS  19  -6.872  30.548  13.496
  139   2HG   LYS  19          2HG       LYS  19  -5.835  31.874  14.022
  140   1HD   LYS  19          1HD       LYS  19  -5.122  30.398  15.965
  141   2HD   LYS  19          2HD       LYS  19  -5.967  29.071  15.165
  142   1HE   LYS  19          1HE       LYS  19  -4.545  29.353  13.166
  143   2HE   LYS  19          2HE       LYS  19  -3.707  30.707  13.949
  144   1HZ   LYS  19          1HZ       LYS  19  -3.976  28.217  15.460
  145   2HZ   LYS  19          2HZ       LYS  19  -2.857  28.223  14.183
  146   3HZ   LYS  19          3HZ       LYS  19  -2.707  29.341  15.453
  147    H    LEU  20           H        LEU  20  -8.938  27.837  15.306
  148    HA   LEU  20           HA       LEU  20  -8.041  27.010  17.923
  149   1HB   LEU  20          1HB       LEU  20  -9.672  25.903  16.268
  150   2HB   LEU  20          2HB       LEU  20  -8.238  25.321  15.421
  151    HG   LEU  20           HG       LEU  20  -8.850  24.818  18.348
  152   1HD1  LEU  20          1HD1      LEU  20  -9.779  23.528  15.951
  153   2HD1  LEU  20          2HD1      LEU  20  -8.712  22.427  16.824
  154   3HD1  LEU  20          3HD1      LEU  20 -10.126  23.109  17.629
  155   1HD2  LEU  20          1HD2      LEU  20  -6.534  24.251  16.554
  156   2HD2  LEU  20          2HD2      LEU  20  -6.555  24.632  18.276
  157   3HD2  LEU  20          3HD2      LEU  20  -6.983  23.011  17.726
  158    H    PHE  21           H        PHE  21  -5.943  26.732  18.583
  159    HA   PHE  21           HA       PHE  21  -3.836  26.537  16.464
  160   1HB   PHE  21          1HB       PHE  21  -2.388  27.199  18.536
  161   2HB   PHE  21          2HB       PHE  21  -3.410  28.427  17.794
  162    HD1  PHE  21           HD1      PHE  21  -3.016  26.157  20.684
  163    HD2  PHE  21           HD2      PHE  21  -5.388  29.271  18.914
  164    HE1  PHE  21           HE1      PHE  21  -4.184  26.496  22.844
  165    HE2  PHE  21           HE2      PHE  21  -6.555  29.610  21.076
  166    HZ   PHE  21           HZ       PHE  21  -5.953  28.223  23.040
  167    H    CYS  22           H        CYS  22  -4.297  24.192  16.273
  168    HA   CYS  22           HA       CYS  22  -4.178  22.296  18.346
  169   1HB   CYS  22          1HB       CYS  22  -4.695  22.060  15.831
  170   2HB   CYS  22          2HB       CYS  22  -2.956  21.887  15.614
  171    HA   PRO  23           HA       PRO  23   0.630  22.112  17.653
  172   1HB   PRO  23          1HB       PRO  23   1.459  24.785  16.987
  173   2HB   PRO  23          2HB       PRO  23   1.665  23.312  16.037
  174   1HG   PRO  23          1HG       PRO  23  -0.093  25.502  15.502
  175   2HG   PRO  23          2HG       PRO  23   0.061  23.998  14.591
  176   1HD   PRO  23          1HD       PRO  23  -2.098  24.837  16.327
  177   2HD   PRO  23          2HD       PRO  23  -1.998  23.371  15.331
  178    H    GLN  24           H        GLN  24  -0.287  22.199  19.969
  179    HA   GLN  24           HA       GLN  24   0.712  24.643  21.398
  180   1HB   GLN  24          1HB       GLN  24  -1.686  24.465  21.546
  181   2HB   GLN  24          2HB       GLN  24  -1.590  22.746  21.924
  182   1HG   GLN  24          1HG       GLN  24  -0.350  23.343  24.026
  183   2HG   GLN  24          2HG       GLN  24  -0.646  25.042  23.663
  184   2HE2  GLN  24          2HE2      GLN  24  -2.430  21.943  24.125
  185   1HE2  GLN  24          1HE2      GLN  24  -3.818  22.669  24.780
  186    H    ASP  25           H        ASP  25  -0.334  21.603  22.830
  187    HA   ASP  25           HA       ASP  25   2.508  20.992  23.566
  188   1HB   ASP  25          1HB       ASP  25   0.810  22.168  25.254
  189   2HB   ASP  25          2HB       ASP  25   0.248  20.511  25.473
  190    H    LYS  26           H        LYS  26   1.923  19.503  21.583
  191    HA   LYS  26           HA       LYS  26   0.082  17.325  21.902
  192   1HB   LYS  26          1HB       LYS  26   2.441  18.018  20.185
  193   2HB   LYS  26          2HB       LYS  26   1.797  16.377  20.114
  194   1HG   LYS  26          1HG       LYS  26  -0.451  17.285  19.623
  195   2HG   LYS  26          2HG       LYS  26   0.200  18.923  19.685
  196   1HD   LYS  26          1HD       LYS  26   1.874  18.101  17.882
  197   2HD   LYS  26          2HD       LYS  26   0.757  16.754  17.663
  198   1HE   LYS  26          1HE       LYS  26  -1.090  18.409  17.277
  199   2HE   LYS  26          2HE       LYS  26   0.113  19.711  17.360
  200   1HZ   LYS  26          1HZ       LYS  26   1.367  18.591  15.605
  201   2HZ   LYS  26          2HZ       LYS  26   0.182  17.377  15.511
  202   3HZ   LYS  26          3HZ       LYS  26  -0.197  18.974  15.072
  203    H    LYS  27           H        LYS  27   2.936  17.963  23.592
  204    HA   LYS  27           HA       LYS  27   4.437  15.680  23.852
  205   1HB   LYS  27          1HB       LYS  27   3.315  17.677  25.793
  206   2HB   LYS  27          2HB       LYS  27   4.268  16.329  26.412
  207   1HG   LYS  27          1HG       LYS  27   6.140  16.945  24.964
  208   2HG   LYS  27          2HG       LYS  27   5.184  18.238  24.241
  209   1HD   LYS  27          1HD       LYS  27   4.965  19.260  26.530
  210   2HD   LYS  27          2HD       LYS  27   6.092  18.040  27.127
  211   1HE   LYS  27          1HE       LYS  27   6.630  20.219  25.085
  212   2HE   LYS  27          2HE       LYS  27   7.456  19.942  26.630
  213   1HZ   LYS  27          1HZ       LYS  27   7.879  17.607  25.633
  214   2HZ   LYS  27          2HZ       LYS  27   7.587  18.362  24.139
  215   3HZ   LYS  27          3HZ       LYS  27   8.858  18.900  25.126
  216    H    PHE  28           H        PHE  28   1.074  16.065  24.806
  217    HA   PHE  28           HA       PHE  28   0.653  13.944  26.583
  218   1HB   PHE  28          1HB       PHE  28  -1.085  14.696  24.214
  219   2HB   PHE  28          2HB       PHE  28  -1.622  14.023  25.750
  220    HD1  PHE  28           HD1      PHE  28  -0.312  15.481  27.805
  221    HD2  PHE  28           HD2      PHE  28  -1.740  16.928  24.020
  222    HE1  PHE  28           HE1      PHE  28  -0.512  17.765  28.753
  223    HE2  PHE  28           HE2      PHE  28  -1.942  19.210  24.969
  224    HZ   PHE  28           HZ       PHE  28  -1.326  19.629  27.333
  225    H    PHE  29           H        PHE  29   1.560  13.806  23.226
  226    HA   PHE  29           HA       PHE  29   0.629  11.313  22.354
  227   1HB   PHE  29          1HB       PHE  29   1.909  12.947  21.027
  228   2HB   PHE  29          2HB       PHE  29   3.346  12.619  21.993
  229    HD1  PHE  29           HD1      PHE  29   4.118  10.115  22.104
  230    HD2  PHE  29           HD2      PHE  29   1.519  11.712  19.078
  231    HE1  PHE  29           HE1      PHE  29   4.685   8.216  20.613
  232    HE2  PHE  29           HE2      PHE  29   2.087   9.812  17.588
  233    HZ   PHE  29           HZ       PHE  29   3.670   8.065  18.356
  234    H    GLN  30           H        GLN  30   2.895  11.975  24.903
  235    HA   GLN  30           HA       GLN  30   4.375   9.513  24.881
  236   1HB   GLN  30          1HB       GLN  30   3.667  11.579  26.976
  237   2HB   GLN  30          2HB       GLN  30   4.756  10.232  27.308
  238   1HG   GLN  30          1HG       GLN  30   5.968  11.042  25.119
  239   2HG   GLN  30          2HG       GLN  30   5.137  12.563  25.451
  240   2HE2  GLN  30          2HE2      GLN  30   6.411  13.952  26.669
  241   1HE2  GLN  30          1HE2      GLN  30   7.530  13.472  27.852
  242    H    SER  31           H        SER  31   1.085  10.033  25.479
  243    HA   SER  31           HA       SER  31   0.887   7.374  26.821
  244   1HB   SER  31          1HB       SER  31  -0.343   9.985  27.756
  245   2HB   SER  31          2HB       SER  31  -0.723   8.405  28.440
  246    HG   SER  31           HG       SER  31   1.225   8.281  29.314
  247    H    LEU  32           H        LEU  32  -1.335   6.478  26.662
  248    HA   LEU  32           HA       LEU  32  -2.515   6.770  24.084
  249   1HB   LEU  32          1HB       LEU  32  -2.624   4.907  25.922
  250   2HB   LEU  32          2HB       LEU  32  -4.005   5.827  26.520
  251    HG   LEU  32           HG       LEU  32  -4.647   4.014  24.910
  252   1HD1  LEU  32          1HD1      LEU  32  -5.668   6.514  25.161
  253   2HD1  LEU  32          2HD1      LEU  32  -5.271   6.517  23.442
  254   3HD1  LEU  32          3HD1      LEU  32  -6.361   5.293  24.093
  255   1HD2  LEU  32          1HD2      LEU  32  -2.447   4.608  23.535
  256   2HD2  LEU  32          2HD2      LEU  32  -3.874   3.958  22.727
  257   3HD2  LEU  32          3HD2      LEU  32  -3.550   5.691  22.687
  258    H    ASP  33           H        ASP  33  -3.858   7.774  27.244
  259    HA   ASP  33           HA       ASP  33  -6.090   9.205  26.348
  260   1HB   ASP  33          1HB       ASP  33  -4.128   9.686  28.613
  261   2HB   ASP  33          2HB       ASP  33  -5.641  10.579  28.460
  262    H    GLY  34           H        GLY  34  -2.693  10.172  26.486
  263   1HA   GLY  34          1HA       GLY  34  -1.613  12.088  25.640
  264   2HA   GLY  34          2HA       GLY  34  -3.185  12.889  25.591
  265    H    ILE  35           H        ILE  35  -2.119   9.870  24.054
  266    HA   ILE  35           HA       ILE  35  -1.762  10.821  21.412
  267    HB   ILE  35           HB       ILE  35  -2.588   8.219  22.692
  268   1HG1  ILE  35          1HG1      ILE  35  -0.223   9.090  22.759
  269   2HG1  ILE  35          2HG1      ILE  35  -0.386   7.519  21.972
  270   1HG2  ILE  35          1HG2      ILE  35  -2.511   8.892  19.751
  271   2HG2  ILE  35          2HG2      ILE  35  -2.175   7.256  20.317
  272   3HG2  ILE  35          3HG2      ILE  35  -3.743   7.998  20.641
  273   1HD1  ILE  35          1HD1      ILE  35  -0.694   9.873  20.197
  274   2HD1  ILE  35          2HD1      ILE  35   0.923   9.626  20.856
  275   3HD1  ILE  35          3HD1      ILE  35   0.152   8.352  19.912
  276    H    MET  36           H        MET  36  -4.690  10.026  23.219
  277    HA   MET  36           HA       MET  36  -6.570   9.905  21.096
  278   1HB   MET  36          1HB       MET  36  -6.535  10.539  24.002
  279   2HB   MET  36          2HB       MET  36  -7.971  11.039  23.109
  280   1HG   MET  36          1HG       MET  36  -8.048   8.673  22.161
  281   2HG   MET  36          2HG       MET  36  -6.821   8.249  23.355
  282   1HE   MET  36          1HE       MET  36  -9.736   7.656  22.412
  283   2HE   MET  36          2HE       MET  36  -9.891   6.618  23.827
  284   3HE   MET  36          3HE       MET  36 -11.033   7.944  23.569
  285    H    PHE  37           H        PHE  37  -5.904  12.772  23.166
  286    HA   PHE  37           HA       PHE  37  -7.354  14.680  21.760
  287   1HB   PHE  37          1HB       PHE  37  -6.408  15.842  23.450
  288   2HB   PHE  37          2HB       PHE  37  -5.243  14.546  23.707
  289    HD1  PHE  37           HD1      PHE  37  -3.054  14.581  22.490
  290    HD2  PHE  37           HD2      PHE  37  -5.794  17.874  22.350
  291    HE1  PHE  37           HE1      PHE  37  -1.250  16.038  21.634
  292    HE2  PHE  37           HE2      PHE  37  -3.992  19.336  21.482
  293    HZ   PHE  37           HZ       PHE  37  -1.722  18.408  21.123
  294    H    ILE  38           H        ILE  38  -3.928  13.788  21.068
  295    HA   ILE  38           HA       ILE  38  -3.496  15.412  18.822
  296    HB   ILE  38           HB       ILE  38  -2.636  12.578  19.473
  297   1HG1  ILE  38          1HG1      ILE  38  -1.429  15.321  19.896
  298   2HG1  ILE  38          2HG1      ILE  38  -1.861  14.131  21.125
  299   1HG2  ILE  38          1HG2      ILE  38  -2.444  13.760  16.988
  300   2HG2  ILE  38          2HG2      ILE  38  -0.907  14.199  17.731
  301   3HG2  ILE  38          3HG2      ILE  38  -1.366  12.502  17.592
  302   1HD1  ILE  38          1HD1      ILE  38   0.247  13.675  18.996
  303   2HD1  ILE  38          2HD1      ILE  38   0.603  14.223  20.634
  304   3HD1  ILE  38          3HD1      ILE  38  -0.111  12.633  20.373
  305    H    ASN  39           H        ASN  39  -5.270  12.366  19.086
  306    HA   ASN  39           HA       ASN  39  -5.708  12.144  16.190
  307   1HB   ASN  39          1HB       ASN  39  -6.766  10.714  18.647
  308   2HB   ASN  39          2HB       ASN  39  -7.175  10.241  16.998
  309   2HD2  ASN  39          2HD2      ASN  39  -5.269   9.168  19.354
  310   1HD2  ASN  39          1HD2      ASN  39  -3.890   8.693  18.485
  311    H    LYS  40           H        LYS  40  -7.260  13.681  18.891
  312    HA   LYS  40           HA       LYS  40  -9.886  13.861  17.543
  313   1HB   LYS  40          1HB       LYS  40  -9.560  13.482  20.002
  314   2HB   LYS  40          2HB       LYS  40  -8.845  15.090  20.115
  315   1HG   LYS  40          1HG       LYS  40 -10.894  16.143  19.453
  316   2HG   LYS  40          2HG       LYS  40 -11.607  14.602  18.976
  317   1HD   LYS  40          1HD       LYS  40 -11.635  13.846  21.288
  318   2HD   LYS  40          2HD       LYS  40 -10.770  15.292  21.809
  319   1HE   LYS  40          1HE       LYS  40 -13.236  15.463  22.224
  320   2HE   LYS  40          2HE       LYS  40 -12.672  16.699  21.083
  321   1HZ   LYS  40          1HZ       LYS  40 -13.529  14.038  20.126
  322   2HZ   LYS  40          2HZ       LYS  40 -14.685  15.245  20.426
  323   3HZ   LYS  40          3HZ       LYS  40 -13.468  15.507  19.275
  324    H    CYS  41           H        CYS  41  -7.038  15.872  18.132
  325    HA   CYS  41           HA       CYS  41  -8.144  18.439  17.639
  326   1HB   CYS  41          1HB       CYS  41  -5.797  17.638  18.420
  327   2HB   CYS  41          2HB       CYS  41  -5.415  17.560  16.703
  328    H    ALA  42           H        ALA  42  -6.094  16.792  15.206
  329    HA   ALA  42           HA       ALA  42  -6.842  18.189  12.945
  330   1HB   ALA  42          1HB       ALA  42  -6.271  15.252  13.406
  331   2HB   ALA  42          2HB       ALA  42  -6.441  15.927  11.785
  332   3HB   ALA  42          3HB       ALA  42  -5.155  16.499  12.849
  333    H    THR  43           H        THR  43  -8.694  15.627  14.553
  334    HA   THR  43           HA       THR  43 -10.769  15.528  12.490
  335    HB   THR  43           HB       THR  43 -10.608  14.489  15.342
  336    HG1  THR  43           HG1      THR  43  -9.078  13.765  13.629
  337   1HG2  THR  43          1HG2      THR  43 -12.913  14.754  14.126
  338   2HG2  THR  43          2HG2      THR  43 -12.365  13.372  13.177
  339   3HG2  THR  43          3HG2      THR  43 -12.531  13.231  14.928
  340    H    CYS  44           H        CYS  44 -10.135  17.322  15.411
  341    HA   CYS  44           HA       CYS  44 -12.900  18.287  15.712
  342   1HB   CYS  44          1HB       CYS  44 -11.585  17.950  17.693
  343   2HB   CYS  44          2HB       CYS  44 -10.225  18.849  17.019
  344    H    LYS  45           H        LYS  45  -9.734  19.585  14.692
  345    HA   LYS  45           HA       LYS  45 -10.407  22.270  14.215
  346   1HB   LYS  45          1HB       LYS  45  -8.151  21.406  14.036
  347   2HB   LYS  45          2HB       LYS  45  -8.619  20.325  12.724
  348   1HG   LYS  45          1HG       LYS  45  -9.410  22.680  11.660
  349   2HG   LYS  45          2HG       LYS  45  -8.084  23.250  12.672
  350   1HD   LYS  45          1HD       LYS  45  -6.673  21.392  11.641
  351   2HD   LYS  45          2HD       LYS  45  -7.977  21.173  10.475
  352   1HE   LYS  45          1HE       LYS  45  -7.770  23.614   9.879
  353   2HE   LYS  45          2HE       LYS  45  -6.341  23.694  10.926
  354   1HZ   LYS  45          1HZ       LYS  45  -6.613  21.572   8.887
  355   2HZ   LYS  45          2HZ       LYS  45  -6.010  23.101   8.455
  356   3HZ   LYS  45          3HZ       LYS  45  -5.202  22.165   9.621
  357    H    MET  46           H        MET  46 -10.800  19.467  12.028
  358    HA   MET  46           HA       MET  46 -11.860  20.880   9.793
  359   1HB   MET  46          1HB       MET  46 -12.814  18.591   9.270
  360   2HB   MET  46          2HB       MET  46 -11.094  18.585   9.660
  361   1HG   MET  46          1HG       MET  46 -11.500  17.136  11.332
  362   2HG   MET  46          2HG       MET  46 -12.512  18.350  12.114
  363   1HE   MET  46          1HE       MET  46 -12.518  16.517   8.848
  364   2HE   MET  46          2HE       MET  46 -12.516  15.058   9.835
  365   3HE   MET  46          3HE       MET  46 -13.930  15.452   8.860
  366    H    ILE  47           H        ILE  47 -13.326  19.879  12.822
  367    HA   ILE  47           HA       ILE  47 -16.080  19.942  12.136
  368    HB   ILE  47           HB       ILE  47 -14.715  20.898  14.677
  369   1HG1  ILE  47          1HG1      ILE  47 -13.846  18.718  14.170
  370   2HG1  ILE  47          2HG1      ILE  47 -15.106  18.484  15.380
  371   1HG2  ILE  47          1HG2      ILE  47 -17.206  21.327  14.377
  372   2HG2  ILE  47          2HG2      ILE  47 -17.417  19.577  14.325
  373   3HG2  ILE  47          3HG2      ILE  47 -16.775  20.346  15.777
  374   1HD1  ILE  47          1HD1      ILE  47 -15.491  18.182  12.386
  375   2HD1  ILE  47          2HD1      ILE  47 -15.291  16.847  13.520
  376   3HD1  ILE  47          3HD1      ILE  47 -16.712  17.886  13.624
  377    H    LEU  48           H        LEU  48 -13.815  22.559  12.920
  378    HA   LEU  48           HA       LEU  48 -15.803  24.667  12.963
  379   1HB   LEU  48          1HB       LEU  48 -12.801  24.682  12.498
  380   2HB   LEU  48          2HB       LEU  48 -13.774  26.091  12.922
  381    HG   LEU  48           HG       LEU  48 -14.288  23.903  14.754
  382   1HD1  LEU  48          1HD1      LEU  48 -11.421  24.793  14.358
  383   2HD1  LEU  48          2HD1      LEU  48 -11.998  24.050  15.849
  384   3HD1  LEU  48          3HD1      LEU  48 -12.048  23.145  14.337
  385   1HD2  LEU  48          1HD2      LEU  48 -14.696  26.408  15.006
  386   2HD2  LEU  48          2HD2      LEU  48 -13.935  25.619  16.388
  387   3HD2  LEU  48          3HD2      LEU  48 -12.961  26.573  15.270
  388    H    GLU  49           H        GLU  49 -13.543  23.411  10.497
  389    HA   GLU  49           HA       GLU  49 -13.885  25.261   8.432
  390   1HB   GLU  49          1HB       GLU  49 -13.817  22.226   8.307
  391   2HB   GLU  49          2HB       GLU  49 -13.450  23.301   6.959
  392   1HG   GLU  49          1HG       GLU  49 -11.643  24.337   8.379
  393   2HG   GLU  49          2HG       GLU  49 -11.943  23.080   9.579
  394    H    LYS  50           H        LYS  50 -16.209  23.002   9.734
  395    HA   LYS  50           HA       LYS  50 -18.128  23.668   7.533
  396   1HB   LYS  50          1HB       LYS  50 -19.242  21.594   8.225
  397   2HB   LYS  50          2HB       LYS  50 -17.529  21.280   7.946
  398   1HG   LYS  50          1HG       LYS  50 -17.088  20.939  10.177
  399   2HG   LYS  50          2HG       LYS  50 -18.317  22.091  10.703
  400   1HD   LYS  50          1HD       LYS  50 -20.086  20.477  10.065
  401   2HD   LYS  50          2HD       LYS  50 -18.844  19.321   9.582
  402   1HE   LYS  50          1HE       LYS  50 -17.926  19.585  11.991
  403   2HE   LYS  50          2HE       LYS  50 -19.495  20.322  12.360
  404   1HZ   LYS  50          1HZ       LYS  50 -19.299  17.780  10.859
  405   2HZ   LYS  50          2HZ       LYS  50 -19.300  17.788  12.558
  406   3HZ   LYS  50          3HZ       LYS  50 -20.631  18.408  11.701
  407    H    GLU  51           H        GLU  51 -17.388  24.263  10.830
  408    HA   GLU  51           HA       GLU  51 -19.893  24.501  12.090
  409   1HB   GLU  51          1HB       GLU  51 -17.875  24.809  13.325
  410   2HB   GLU  51          2HB       GLU  51 -17.314  26.076  12.234
  411   1HG   GLU  51          1HG       GLU  51 -19.257  27.486  12.967
  412   2HG   GLU  51          2HG       GLU  51 -19.657  26.243  14.152
  413    H    ALA  52           H        ALA  52 -18.392  26.565   9.669
  414    HA   ALA  52           HA       ALA  52 -20.300  28.761   9.994
  415   1HB   ALA  52          1HB       ALA  52 -17.812  28.605   9.064
  416   2HB   ALA  52          2HB       ALA  52 -18.642  28.297   7.539
  417   3HB   ALA  52          3HB       ALA  52 -18.938  29.798   8.416
  418    H    LYS  53           H        LYS  53 -21.801  29.380   8.218
  419    HA   LYS  53           HA       LYS  53 -23.257  27.040   7.186
  420   1HB   LYS  53          1HB       LYS  53 -23.682  30.039   6.975
  421   2HB   LYS  53          2HB       LYS  53 -24.859  28.817   6.494
  422   1HG   LYS  53          1HG       LYS  53 -23.699  29.026   9.287
  423   2HG   LYS  53          2HG       LYS  53 -25.233  29.753   8.808
  424   1HD   LYS  53          1HD       LYS  53 -26.071  27.520   8.140
  425   2HD   LYS  53          2HD       LYS  53 -24.543  26.803   8.652
  426   1HE   LYS  53          1HE       LYS  53 -24.936  27.486  10.961
  427   2HE   LYS  53          2HE       LYS  53 -26.397  28.371  10.482
  428   1HZ   LYS  53          1HZ       LYS  53 -25.983  25.488   9.902
  429   2HZ   LYS  53          2HZ       LYS  53 -26.772  26.033  11.305
  430   3HZ   LYS  53          3HZ       LYS  53 -27.427  26.375   9.779
  431    H    SER  54           H        SER  54 -20.744  29.047   6.062
  432    HA   SER  54           HA       SER  54 -21.443  29.153   3.246
  433   1HB   SER  54          1HB       SER  54 -19.086  29.891   3.054
  434   2HB   SER  54          2HB       SER  54 -19.894  30.705   4.393
  435    HG   SER  54           HG       SER  54 -18.284  29.959   5.506
  436    H    GLN  55           H        GLN  55 -20.045  26.736   5.324
  437    HA   GLN  55           HA       GLN  55 -19.683  24.956   2.953
  438   1HB   GLN  55          1HB       GLN  55 -17.694  25.652   5.127
  439   2HB   GLN  55          2HB       GLN  55 -17.520  24.215   4.119
  440   1HG   GLN  55          1HG       GLN  55 -17.529  25.625   2.097
  441   2HG   GLN  55          2HG       GLN  55 -17.728  27.065   3.096
  442   2HE2  GLN  55          2HE2      GLN  55 -15.427  26.546   1.342
  443   1HE2  GLN  55          1HE2      GLN  55 -14.057  26.450   2.341

  No H/Q in entry =         443
  Start of MODEL   17
    1    H1   LYS   1           H1       LYS   1 -24.513  11.194   8.736
    2    H2   LYS   1           H2       LYS   1 -23.023  11.935   8.411
    3    H3   LYS   1           H3       LYS   1 -23.738  10.923   7.249
    4    HA   LYS   1           HA       LYS   1 -23.379   8.986   8.576
    5   1HB   LYS   1          1HB       LYS   1 -21.027  10.900   8.436
    6   2HB   LYS   1          2HB       LYS   1 -20.877   9.158   8.666
    7   1HG   LYS   1          1HG       LYS   1 -22.193   8.865   6.519
    8   2HG   LYS   1          2HG       LYS   1 -22.036  10.604   6.269
    9   1HD   LYS   1          1HD       LYS   1 -19.538  10.327   6.459
   10   2HD   LYS   1          2HD       LYS   1 -19.788   8.581   6.491
   11   1HE   LYS   1          1HE       LYS   1 -20.954  10.263   4.265
   12   2HE   LYS   1          2HE       LYS   1 -19.286   9.663   4.184
   13   1HZ   LYS   1          1HZ       LYS   1 -21.465   7.846   4.985
   14   2HZ   LYS   1          2HZ       LYS   1 -21.227   8.171   3.338
   15   3HZ   LYS   1          3HZ       LYS   1 -19.976   7.477   4.254
   16    H    ASN   2           H        ASN   2 -21.537  11.560  10.251
   17    HA   ASN   2           HA       ASN   2 -22.342  10.307  12.851
   18   1HB   ASN   2          1HB       ASN   2 -19.960  11.930  11.919
   19   2HB   ASN   2          2HB       ASN   2 -20.248  11.557  13.619
   20   2HD2  ASN   2          2HD2      ASN   2 -18.806  10.370  10.762
   21   1HD2  ASN   2          1HD2      ASN   2 -18.592   8.759  11.254
   22    H    GLU   3           H        GLU   3 -23.108  11.682  14.527
   23    HA   GLU   3           HA       GLU   3 -24.632  13.982  13.758
   24   1HB   GLU   3          1HB       GLU   3 -23.690  12.740  16.340
   25   2HB   GLU   3          2HB       GLU   3 -24.619  14.238  16.356
   26   1HG   GLU   3          1HG       GLU   3 -25.472  11.591  15.145
   27   2HG   GLU   3          2HG       GLU   3 -26.158  12.364  16.574
   28    H    ASP   4           H        ASP   4 -21.313  13.590  14.791
   29    HA   ASP   4           HA       ASP   4 -19.632  15.194  15.289
   30   1HB   ASP   4          1HB       ASP   4 -20.500  15.295  12.752
   31   2HB   ASP   4          2HB       ASP   4 -20.935  16.933  13.240
   32    H    GLN   5           H        GLN   5 -21.674  15.480  17.158
   33    HA   GLN   5           HA       GLN   5 -22.346  18.385  17.232
   34   1HB   GLN   5          1HB       GLN   5 -23.998  16.439  17.572
   35   2HB   GLN   5          2HB       GLN   5 -23.202  16.186  19.124
   36   1HG   GLN   5          1HG       GLN   5 -23.716  18.503  19.779
   37   2HG   GLN   5          2HG       GLN   5 -24.482  18.782  18.215
   38   2HE2  GLN   5          2HE2      GLN   5 -25.574  18.619  21.136
   39   1HE2  GLN   5          1HE2      GLN   5 -26.895  17.563  20.999
   40    H    GLU   6           H        GLU   6 -20.245  19.200  17.859
   41    HA   GLU   6           HA       GLU   6 -18.589  19.817  19.432
   42   1HB   GLU   6          1HB       GLU   6 -20.686  18.701  21.324
   43   2HB   GLU   6          2HB       GLU   6 -19.411  19.845  21.743
   44   1HG   GLU   6          1HG       GLU   6 -20.362  21.487  20.166
   45   2HG   GLU   6          2HG       GLU   6 -21.631  20.342  19.735
   46    H    MET   7           H        MET   7 -18.193  17.299  18.221
   47    HA   MET   7           HA       MET   7 -17.821  15.106  20.004
   48   1HB   MET   7          1HB       MET   7 -16.355  15.943  17.481
   49   2HB   MET   7          2HB       MET   7 -16.294  14.329  18.188
   50   1HG   MET   7          1HG       MET   7 -18.830  15.722  17.276
   51   2HG   MET   7          2HG       MET   7 -17.969  14.496  16.347
   52   1HE   MET   7          1HE       MET   7 -20.301  15.566  18.616
   53   2HE   MET   7          2HE       MET   7 -21.188  14.143  19.184
   54   3HE   MET   7          3HE       MET   7 -19.864  14.800  20.142
   55    H    CYS   8           H        CYS   8 -15.998  18.039  19.577
   56    HA   CYS   8           HA       CYS   8 -13.888  16.957  21.418
   57   1HB   CYS   8          1HB       CYS   8 -12.357  18.514  20.153
   58   2HB   CYS   8          2HB       CYS   8 -13.017  17.210  19.165
   59    H    HIS   9           H        HIS   9 -13.775  18.105  23.306
   60    HA   HIS   9           HA       HIS   9 -14.944  20.870  23.350
   61   1HB   HIS   9          1HB       HIS   9 -14.713  18.715  25.477
   62   2HB   HIS   9          2HB       HIS   9 -15.391  20.320  25.750
   63    HD1  HIS   9           HD1      HIS   9 -17.671  20.872  24.589
   64    HD2  HIS   9           HD2      HIS   9 -16.393  16.942  24.041
   65    HE1  HIS   9           HE1      HIS   9 -19.657  19.593  23.677
   66    H    GLU  10           H        GLU  10 -12.135  18.919  23.941
   67    HA   GLU  10           HA       GLU  10 -10.784  20.742  25.760
   68   1HB   GLU  10          1HB       GLU  10 -10.029  18.391  24.021
   69   2HB   GLU  10          2HB       GLU  10  -8.807  19.272  24.939
   70   1HG   GLU  10          1HG       GLU  10  -9.970  18.812  27.024
   71   2HG   GLU  10          2HG       GLU  10 -11.311  18.067  26.154
   72    H    PHE  11           H        PHE  11 -10.538  20.090  22.245
   73    HA   PHE  11           HA       PHE  11  -8.503  22.058  21.727
   74   1HB   PHE  11          1HB       PHE  11 -10.627  20.689  20.076
   75   2HB   PHE  11          2HB       PHE  11  -9.422  21.755  19.364
   76    HD1  PHE  11           HD1      PHE  11  -6.922  21.258  19.991
   77    HD2  PHE  11           HD2      PHE  11 -10.118  18.410  20.360
   78    HE1  PHE  11           HE1      PHE  11  -5.274  19.404  19.963
   79    HE2  PHE  11           HE2      PHE  11  -8.471  16.560  20.334
   80    HZ   PHE  11           HZ       PHE  11  -6.051  17.058  20.136
   81    H    GLN  12           H        GLN  12 -12.071  22.187  21.687
   82    HA   GLN  12           HA       GLN  12 -12.544  24.643  20.458
   83   1HB   GLN  12          1HB       GLN  12 -14.284  23.173  21.372
   84   2HB   GLN  12          2HB       GLN  12 -13.729  23.504  23.013
   85   1HG   GLN  12          1HG       GLN  12 -14.172  25.978  22.500
   86   2HG   GLN  12          2HG       GLN  12 -15.034  25.418  21.067
   87   2HE2  GLN  12          2HE2      GLN  12 -17.231  25.090  21.414
   88   1HE2  GLN  12          1HE2      GLN  12 -17.940  24.706  22.907
   89    H    ALA  13           H        ALA  13 -11.632  24.106  23.876
   90    HA   ALA  13           HA       ALA  13 -11.516  26.808  24.708
   91   1HB   ALA  13          1HB       ALA  13  -9.746  25.802  26.303
   92   2HB   ALA  13          2HB       ALA  13 -10.010  24.288  25.436
   93   3HB   ALA  13          3HB       ALA  13 -11.341  25.049  26.307
   94    H    PHE  14           H        PHE  14  -9.468  25.031  22.531
   95    HA   PHE  14           HA       PHE  14  -7.204  26.913  22.795
   96   1HB   PHE  14          1HB       PHE  14  -7.769  24.604  20.907
   97   2HB   PHE  14          2HB       PHE  14  -6.215  25.403  21.116
   98    HD1  PHE  14           HD1      PHE  14  -7.139  25.708  24.279
   99    HD2  PHE  14           HD2      PHE  14  -6.420  22.505  21.506
  100    HE1  PHE  14           HE1      PHE  14  -6.611  24.189  26.167
  101    HE2  PHE  14           HE2      PHE  14  -5.894  20.988  23.393
  102    HZ   PHE  14           HZ       PHE  14  -5.988  21.830  25.725
  103    H    MET  15           H        MET  15 -10.120  27.411  21.533
  104    HA   MET  15           HA       MET  15  -9.297  28.334  18.846
  105   1HB   MET  15          1HB       MET  15 -11.682  28.624  18.542
  106   2HB   MET  15          2HB       MET  15 -11.429  27.088  19.361
  107   1HG   MET  15          1HG       MET  15 -11.705  28.523  21.545
  108   2HG   MET  15          2HG       MET  15 -12.496  29.670  20.465
  109   1HE   MET  15          1HE       MET  15 -13.668  28.204  18.332
  110   2HE   MET  15          2HE       MET  15 -15.235  27.536  18.781
  111   3HE   MET  15          3HE       MET  15 -14.828  29.206  19.201
  112    H    LYS  16           H        LYS  16  -8.119  30.242  19.030
  113    HA   LYS  16           HA       LYS  16  -8.913  32.326  20.960
  114   1HB   LYS  16          1HB       LYS  16  -6.558  31.800  20.551
  115   2HB   LYS  16          2HB       LYS  16  -6.762  32.120  18.828
  116   1HG   LYS  16          1HG       LYS  16  -7.728  34.433  20.000
  117   2HG   LYS  16          2HG       LYS  16  -6.374  34.004  21.045
  118   1HD   LYS  16          1HD       LYS  16  -6.157  34.069  18.026
  119   2HD   LYS  16          2HD       LYS  16  -5.788  35.465  19.040
  120   1HE   LYS  16          1HE       LYS  16  -4.134  34.032  20.296
  121   2HE   LYS  16          2HE       LYS  16  -4.421  32.752  19.102
  122   1HZ   LYS  16          1HZ       LYS  16  -4.065  34.738  17.450
  123   2HZ   LYS  16          2HZ       LYS  16  -3.188  35.397  18.744
  124   3HZ   LYS  16          3HZ       LYS  16  -2.731  33.899  18.085
  125    H    ASN  17           H        ASN  17 -10.979  33.010  20.129
  126    HA   ASN  17           HA       ASN  17 -12.395  34.327  18.774
  127   1HB   ASN  17          1HB       ASN  17  -9.692  35.301  17.793
  128   2HB   ASN  17          2HB       ASN  17 -11.221  36.166  17.633
  129   2HD2  ASN  17          2HD2      ASN  17  -8.516  36.381  19.388
  130   1HD2  ASN  17          1HD2      ASN  17  -9.137  36.854  20.895
  131    H    GLY  18           H        GLY  18 -12.179  31.790  17.801
  132   1HA   GLY  18          1HA       GLY  18 -12.420  32.219  14.906
  133   2HA   GLY  18          2HA       GLY  18 -12.797  30.727  15.768
  134    H    LYS  19           H        LYS  19  -9.811  31.763  16.822
  135    HA   LYS  19           HA       LYS  19  -8.309  30.425  14.619
  136   1HB   LYS  19          1HB       LYS  19  -7.829  32.756  15.702
  137   2HB   LYS  19          2HB       LYS  19  -7.144  31.814  17.026
  138   1HG   LYS  19          1HG       LYS  19  -6.344  31.346  14.149
  139   2HG   LYS  19          2HG       LYS  19  -5.520  32.528  15.167
  140   1HD   LYS  19          1HD       LYS  19  -5.042  30.740  16.823
  141   2HD   LYS  19          2HD       LYS  19  -5.820  29.566  15.761
  142   1HE   LYS  19          1HE       LYS  19  -3.693  31.252  14.524
  143   2HE   LYS  19          2HE       LYS  19  -3.161  30.015  15.679
  144   1HZ   LYS  19          1HZ       LYS  19  -4.826  28.524  14.446
  145   2HZ   LYS  19          2HZ       LYS  19  -4.749  29.681  13.205
  146   3HZ   LYS  19          3HZ       LYS  19  -3.348  28.849  13.682
  147    H    LEU  20           H        LEU  20  -8.433  28.206  15.031
  148    HA   LEU  20           HA       LEU  20  -8.104  27.182  17.787
  149   1HB   LEU  20          1HB       LEU  20  -9.692  26.381  15.874
  150   2HB   LEU  20          2HB       LEU  20  -8.258  25.575  15.239
  151    HG   LEU  20           HG       LEU  20  -9.560  25.157  17.942
  152   1HD1  LEU  20          1HD1      LEU  20  -9.657  23.831  15.373
  153   2HD1  LEU  20          2HD1      LEU  20  -8.993  22.743  16.591
  154   3HD1  LEU  20          3HD1      LEU  20 -10.577  23.477  16.836
  155   1HD2  LEU  20          1HD2      LEU  20  -6.895  24.180  16.881
  156   2HD2  LEU  20          2HD2      LEU  20  -7.165  25.183  18.305
  157   3HD2  LEU  20          3HD2      LEU  20  -7.695  23.501  18.297
  158    H    PHE  21           H        PHE  21  -5.936  27.350  18.418
  159    HA   PHE  21           HA       PHE  21  -3.797  26.688  16.487
  160   1HB   PHE  21          1HB       PHE  21  -2.388  27.171  18.626
  161   2HB   PHE  21          2HB       PHE  21  -3.251  28.509  17.876
  162    HD1  PHE  21           HD1      PHE  21  -3.290  26.096  20.695
  163    HD2  PHE  21           HD2      PHE  21  -5.077  29.605  18.979
  164    HE1  PHE  21           HE1      PHE  21  -4.494  26.520  22.817
  165    HE2  PHE  21           HE2      PHE  21  -6.278  30.032  21.106
  166    HZ   PHE  21           HZ       PHE  21  -5.987  28.490  23.025
  167    H    CYS  22           H        CYS  22  -4.856  24.428  16.383
  168    HA   CYS  22           HA       CYS  22  -4.916  22.494  18.359
  169   1HB   CYS  22          1HB       CYS  22  -5.014  22.624  15.594
  170   2HB   CYS  22          2HB       CYS  22  -3.623  21.579  15.891
  171    HA   PRO  23           HA       PRO  23  -0.192  21.565  17.649
  172   1HB   PRO  23          1HB       PRO  23   1.011  24.066  16.887
  173   2HB   PRO  23          2HB       PRO  23   0.988  22.545  15.989
  174   1HG   PRO  23          1HG       PRO  23  -0.472  24.953  15.421
  175   2HG   PRO  23          2HG       PRO  23  -0.495  23.434  14.524
  176   1HD   PRO  23          1HD       PRO  23  -2.567  24.540  16.182
  177   2HD   PRO  23          2HD       PRO  23  -2.596  22.999  15.297
  178    H    GLN  24           H        GLN  24  -0.960  21.780  19.961
  179    HA   GLN  24           HA       GLN  24   0.115  24.198  21.357
  180   1HB   GLN  24          1HB       GLN  24  -2.208  23.733  21.791
  181   2HB   GLN  24          2HB       GLN  24  -1.878  22.021  22.047
  182   1HG   GLN  24          1HG       GLN  24  -0.286  22.934  23.955
  183   2HG   GLN  24          2HG       GLN  24  -1.332  24.347  23.859
  184   2HE2  GLN  24          2HE2      GLN  24  -1.032  21.308  25.309
  185   1HE2  GLN  24          1HE2      GLN  24  -2.648  21.095  25.784
  186    H    ASP  25           H        ASP  25  -0.393  21.070  22.853
  187    HA   ASP  25           HA       ASP  25   2.573  20.708  23.107
  188   1HB   ASP  25          1HB       ASP  25   1.313  21.746  25.096
  189   2HB   ASP  25          2HB       ASP  25   0.532  20.177  25.278
  190    H    LYS  26           H        LYS  26   1.847  19.218  21.199
  191    HA   LYS  26           HA       LYS  26   0.206  16.948  21.499
  192   1HB   LYS  26          1HB       LYS  26   2.570  17.757  19.868
  193   2HB   LYS  26          2HB       LYS  26   2.096  16.058  19.818
  194   1HG   LYS  26          1HG       LYS  26  -0.146  16.640  19.114
  195   2HG   LYS  26          2HG       LYS  26   0.173  18.358  19.356
  196   1HD   LYS  26          1HD       LYS  26   2.207  17.701  17.662
  197   2HD   LYS  26          2HD       LYS  26   0.953  16.588  17.114
  198   1HE   LYS  26          1HE       LYS  26  -0.625  18.492  16.878
  199   2HE   LYS  26          2HE       LYS  26   0.657  19.603  17.398
  200   1HZ   LYS  26          1HZ       LYS  26   1.156  17.666  15.229
  201   2HZ   LYS  26          2HZ       LYS  26   0.352  19.121  14.881
  202   3HZ   LYS  26          3HZ       LYS  26   1.919  19.155  15.528
  203    H    LYS  27           H        LYS  27   3.190  17.622  23.096
  204    HA   LYS  27           HA       LYS  27   4.528  15.247  23.457
  205   1HB   LYS  27          1HB       LYS  27   3.640  17.363  25.431
  206   2HB   LYS  27          2HB       LYS  27   4.785  16.096  25.862
  207   1HG   LYS  27          1HG       LYS  27   5.194  17.850  23.438
  208   2HG   LYS  27          2HG       LYS  27   5.781  18.318  25.033
  209   1HD   LYS  27          1HD       LYS  27   7.076  16.225  25.180
  210   2HD   LYS  27          2HD       LYS  27   6.476  15.739  23.594
  211   1HE   LYS  27          1HE       LYS  27   8.616  16.705  23.153
  212   2HE   LYS  27          2HE       LYS  27   7.469  18.000  22.761
  213   1HZ   LYS  27          1HZ       LYS  27   8.431  17.679  25.528
  214   2HZ   LYS  27          2HZ       LYS  27   9.419  18.469  24.400
  215   3HZ   LYS  27          3HZ       LYS  27   7.872  19.079  24.745
  216    H    PHE  28           H        PHE  28   1.266  15.981  24.554
  217    HA   PHE  28           HA       PHE  28   0.859  14.020  26.535
  218   1HB   PHE  28          1HB       PHE  28  -0.999  14.937  24.314
  219   2HB   PHE  28          2HB       PHE  28  -1.501  14.225  25.845
  220    HD1  PHE  28           HD1      PHE  28   0.019  15.457  27.896
  221    HD2  PHE  28           HD2      PHE  28  -1.433  17.226  24.262
  222    HE1  PHE  28           HE1      PHE  28   0.083  17.697  28.959
  223    HE2  PHE  28           HE2      PHE  28  -1.369  19.466  25.323
  224    HZ   PHE  28           HZ       PHE  28  -0.611  19.701  27.672
  225    H    PHE  29           H        PHE  29   1.475  13.620  23.150
  226    HA   PHE  29           HA       PHE  29   0.190  11.246  22.436
  227   1HB   PHE  29          1HB       PHE  29   1.730  12.717  21.080
  228   2HB   PHE  29          2HB       PHE  29   3.091  11.965  21.913
  229    HD1  PHE  29           HD1      PHE  29   3.278   9.393  21.817
  230    HD2  PHE  29           HD2      PHE  29   0.772  11.687  19.190
  231    HE1  PHE  29           HE1      PHE  29   3.202   7.490  20.228
  232    HE2  PHE  29           HE2      PHE  29   0.696   9.784  17.600
  233    HZ   PHE  29           HZ       PHE  29   1.912   7.686  18.119
  234    H    GLN  30           H        GLN  30   2.669  11.698  24.837
  235    HA   GLN  30           HA       GLN  30   3.696   9.002  24.909
  236   1HB   GLN  30          1HB       GLN  30   3.608  11.364  26.790
  237   2HB   GLN  30          2HB       GLN  30   4.393   9.852  27.247
  238   1HG   GLN  30          1HG       GLN  30   5.585  10.107  24.912
  239   2HG   GLN  30          2HG       GLN  30   5.147  11.805  25.095
  240   2HE2  GLN  30          2HE2      GLN  30   6.811  12.976  26.046
  241   1HE2  GLN  30          1HE2      GLN  30   7.871  12.385  27.233
  242    H    SER  31           H        SER  31   0.615  10.117  25.613
  243    HA   SER  31           HA       SER  31   0.129   7.785  27.426
  244   1HB   SER  31          1HB       SER  31  -0.826  10.651  27.701
  245   2HB   SER  31          2HB       SER  31  -1.416   9.317  28.692
  246    HG   SER  31           HG       SER  31   1.301  10.086  28.453
  247    H    LEU  32           H        LEU  32  -1.945   6.817  27.145
  248    HA   LEU  32           HA       LEU  32  -3.112   6.780  24.594
  249   1HB   LEU  32          1HB       LEU  32  -3.376   5.313  26.761
  250   2HB   LEU  32          2HB       LEU  32  -4.736   6.387  27.090
  251    HG   LEU  32           HG       LEU  32  -5.396   4.321  25.832
  252   1HD1  LEU  32          1HD1      LEU  32  -6.291   6.864  25.526
  253   2HD1  LEU  32          2HD1      LEU  32  -5.813   6.506  23.866
  254   3HD1  LEU  32          3HD1      LEU  32  -6.997   5.484  24.683
  255   1HD2  LEU  32          1HD2      LEU  32  -3.084   4.629  24.475
  256   2HD2  LEU  32          2HD2      LEU  32  -4.462   3.748  23.815
  257   3HD2  LEU  32          3HD2      LEU  32  -4.184   5.426  23.351
  258    H    ASP  33           H        ASP  33  -4.164   8.643  27.449
  259    HA   ASP  33           HA       ASP  33  -6.421   9.915  26.299
  260   1HB   ASP  33          1HB       ASP  33  -4.388  10.709  28.400
  261   2HB   ASP  33          2HB       ASP  33  -5.810  11.693  28.055
  262    H    GLY  34           H        GLY  34  -2.984  10.825  26.284
  263   1HA   GLY  34          1HA       GLY  34  -1.843  12.435  24.999
  264   2HA   GLY  34          2HA       GLY  34  -3.379  13.281  24.819
  265    H    ILE  35           H        ILE  35  -2.457   9.977  23.888
  266    HA   ILE  35           HA       ILE  35  -2.132  10.378  21.107
  267    HB   ILE  35           HB       ILE  35  -2.996   8.121  22.901
  268   1HG1  ILE  35          1HG1      ILE  35  -0.601   8.870  22.659
  269   2HG1  ILE  35          2HG1      ILE  35  -0.872   7.183  22.217
  270   1HG2  ILE  35          1HG2      ILE  35  -3.383   8.303  19.969
  271   2HG2  ILE  35          2HG2      ILE  35  -2.578   6.840  20.533
  272   3HG2  ILE  35          3HG2      ILE  35  -4.178   7.258  21.145
  273   1HD1  ILE  35          1HD1      ILE  35  -1.191   9.171  20.032
  274   2HD1  ILE  35          2HD1      ILE  35   0.454   8.931  20.626
  275   3HD1  ILE  35          3HD1      ILE  35  -0.464   7.564  19.994
  276    H    MET  36           H        MET  36  -5.058   9.925  23.057
  277    HA   MET  36           HA       MET  36  -6.893   9.725  20.829
  278   1HB   MET  36          1HB       MET  36  -6.922   9.986  23.756
  279   2HB   MET  36          2HB       MET  36  -8.288  10.778  22.966
  280   1HG   MET  36          1HG       MET  36  -8.646   8.636  21.659
  281   2HG   MET  36          2HG       MET  36  -7.439   7.880  22.697
  282   1HE   MET  36          1HE       MET  36  -9.823   6.784  22.154
  283   2HE   MET  36          2HE       MET  36 -10.586   6.284  23.661
  284   3HE   MET  36          3HE       MET  36 -11.333   7.543  22.680
  285    H    PHE  37           H        PHE  37  -6.528  12.435  23.162
  286    HA   PHE  37           HA       PHE  37  -7.925  14.378  21.721
  287   1HB   PHE  37          1HB       PHE  37  -7.265  15.495  23.573
  288   2HB   PHE  37          2HB       PHE  37  -6.146  14.187  23.949
  289    HD1  PHE  37           HD1      PHE  37  -3.781  14.333  23.328
  290    HD2  PHE  37           HD2      PHE  37  -6.512  17.524  22.448
  291    HE1  PHE  37           HE1      PHE  37  -1.870  15.835  22.852
  292    HE2  PHE  37           HE2      PHE  37  -4.599  19.029  21.973
  293    HZ   PHE  37           HZ       PHE  37  -2.278  18.180  22.171
  294    H    ILE  38           H        ILE  38  -4.407  13.675  21.495
  295    HA   ILE  38           HA       ILE  38  -3.679  15.484  19.491
  296    HB   ILE  38           HB       ILE  38  -2.892  12.621  20.078
  297   1HG1  ILE  38          1HG1      ILE  38  -1.692  15.345  20.634
  298   2HG1  ILE  38          2HG1      ILE  38  -2.266  14.165  21.811
  299   1HG2  ILE  38          1HG2      ILE  38  -2.430  13.094  17.697
  300   2HG2  ILE  38          2HG2      ILE  38  -1.573  14.565  18.157
  301   3HG2  ILE  38          3HG2      ILE  38  -0.932  12.989  18.622
  302   1HD1  ILE  38          1HD1      ILE  38  -0.334  12.888  20.127
  303   2HD1  ILE  38          2HD1      ILE  38   0.351  14.406  20.707
  304   3HD1  ILE  38          3HD1      ILE  38  -0.235  13.204  21.858
  305    H    ASN  39           H        ASN  39  -5.362  12.379  19.186
  306    HA   ASN  39           HA       ASN  39  -5.414  12.387  16.277
  307   1HB   ASN  39          1HB       ASN  39  -7.009  10.956  18.427
  308   2HB   ASN  39          2HB       ASN  39  -7.123  10.577  16.711
  309   2HD2  ASN  39          2HD2      ASN  39  -3.933  11.523  17.287
  310   1HD2  ASN  39          1HD2      ASN  39  -3.255   9.990  17.539
  311    H    LYS  40           H        LYS  40  -7.467  13.624  18.855
  312    HA   LYS  40           HA       LYS  40  -9.733  14.264  17.124
  313   1HB   LYS  40          1HB       LYS  40  -8.844  14.774  19.950
  314   2HB   LYS  40          2HB       LYS  40 -10.202  15.694  19.301
  315   1HG   LYS  40          1HG       LYS  40 -11.519  13.778  19.006
  316   2HG   LYS  40          2HG       LYS  40 -10.123  12.701  18.996
  317   1HD   LYS  40          1HD       LYS  40  -9.850  13.739  21.470
  318   2HD   LYS  40          2HD       LYS  40 -11.601  13.871  21.300
  319   1HE   LYS  40          1HE       LYS  40 -11.360  11.368  20.410
  320   2HE   LYS  40          2HE       LYS  40  -9.887  11.414  21.399
  321   1HZ   LYS  40          1HZ       LYS  40 -11.336  12.463  23.167
  322   2HZ   LYS  40          2HZ       LYS  40 -12.676  11.993  22.238
  323   3HZ   LYS  40          3HZ       LYS  40 -11.623  10.816  22.865
  324    H    CYS  41           H        CYS  41  -6.834  15.887  18.287
  325    HA   CYS  41           HA       CYS  41  -7.246  18.583  17.917
  326   1HB   CYS  41          1HB       CYS  41  -5.094  17.791  18.511
  327   2HB   CYS  41          2HB       CYS  41  -5.014  16.708  17.130
  328    H    ALA  42           H        ALA  42  -5.862  16.719  15.231
  329    HA   ALA  42           HA       ALA  42  -6.514  18.531  13.169
  330   1HB   ALA  42          1HB       ALA  42  -6.450  15.516  12.911
  331   2HB   ALA  42          2HB       ALA  42  -5.928  16.711  11.725
  332   3HB   ALA  42          3HB       ALA  42  -4.994  16.467  13.200
  333    H    THR  43           H        THR  43  -8.484  15.987  14.635
  334    HA   THR  43           HA       THR  43 -10.587  15.997  12.660
  335    HB   THR  43           HB       THR  43 -10.703  15.324  15.616
  336    HG1  THR  43           HG1      THR  43  -9.994  13.659  13.436
  337   1HG2  THR  43          1HG2      THR  43 -12.795  15.419  14.024
  338   2HG2  THR  43          2HG2      THR  43 -12.151  13.894  13.412
  339   3HG2  THR  43          3HG2      THR  43 -12.585  14.048  15.114
  340    H    CYS  44           H        CYS  44 -10.539  17.381  15.972
  341    HA   CYS  44           HA       CYS  44 -12.934  18.818  15.902
  342   1HB   CYS  44          1HB       CYS  44 -11.188  18.476  17.758
  343   2HB   CYS  44          2HB       CYS  44 -10.345  19.864  17.069
  344    H    LYS  45           H        LYS  45  -9.780  19.738  14.550
  345    HA   LYS  45           HA       LYS  45 -10.320  22.436  13.881
  346   1HB   LYS  45          1HB       LYS  45  -8.118  21.409  13.762
  347   2HB   LYS  45          2HB       LYS  45  -8.672  20.282  12.524
  348   1HG   LYS  45          1HG       LYS  45  -9.337  22.581  11.306
  349   2HG   LYS  45          2HG       LYS  45  -8.001  23.177  12.292
  350   1HD   LYS  45          1HD       LYS  45  -6.578  21.326  11.397
  351   2HD   LYS  45          2HD       LYS  45  -7.908  20.860  10.336
  352   1HE   LYS  45          1HE       LYS  45  -7.809  22.967   9.159
  353   2HE   LYS  45          2HE       LYS  45  -6.682  23.641  10.352
  354   1HZ   LYS  45          1HZ       LYS  45  -5.371  21.454   9.737
  355   2HZ   LYS  45          2HZ       LYS  45  -6.216  21.623   8.272
  356   3HZ   LYS  45          3HZ       LYS  45  -5.195  22.867   8.816
  357    H    MET  46           H        MET  46 -10.863  19.480  11.921
  358    HA   MET  46           HA       MET  46 -11.980  20.863   9.661
  359   1HB   MET  46          1HB       MET  46 -12.558  18.630   8.942
  360   2HB   MET  46          2HB       MET  46 -11.015  18.527   9.785
  361   1HG   MET  46          1HG       MET  46 -11.884  17.107  11.296
  362   2HG   MET  46          2HG       MET  46 -13.176  18.242  11.672
  363   1HE   MET  46          1HE       MET  46 -11.878  15.348  10.338
  364   2HE   MET  46          2HE       MET  46 -13.238  14.353   9.825
  365   3HE   MET  46          3HE       MET  46 -12.387  15.344   8.644
  366    H    ILE  47           H        ILE  47 -13.319  19.840  12.724
  367    HA   ILE  47           HA       ILE  47 -16.098  19.767  12.031
  368    HB   ILE  47           HB       ILE  47 -14.718  20.595  14.608
  369   1HG1  ILE  47          1HG1      ILE  47 -13.856  18.455  14.023
  370   2HG1  ILE  47          2HG1      ILE  47 -15.162  18.127  15.162
  371   1HG2  ILE  47          1HG2      ILE  47 -17.527  20.005  13.838
  372   2HG2  ILE  47          2HG2      ILE  47 -16.970  19.298  15.356
  373   3HG2  ILE  47          3HG2      ILE  47 -16.905  21.045  15.121
  374   1HD1  ILE  47          1HD1      ILE  47 -15.412  18.033  12.138
  375   2HD1  ILE  47          2HD1      ILE  47 -15.274  16.627  13.192
  376   3HD1  ILE  47          3HD1      ILE  47 -16.694  17.667  13.292
  377    H    LEU  48           H        LEU  48 -13.918  22.400  12.962
  378    HA   LEU  48           HA       LEU  48 -15.927  24.455  13.175
  379   1HB   LEU  48          1HB       LEU  48 -12.965  24.549  12.512
  380   2HB   LEU  48          2HB       LEU  48 -13.931  25.919  13.066
  381    HG   LEU  48           HG       LEU  48 -14.344  23.694  14.839
  382   1HD1  LEU  48          1HD1      LEU  48 -12.115  22.957  14.008
  383   2HD1  LEU  48          2HD1      LEU  48 -11.448  24.523  14.474
  384   3HD1  LEU  48          3HD1      LEU  48 -12.071  23.427  15.709
  385   1HD2  LEU  48          1HD2      LEU  48 -14.518  26.261  15.139
  386   2HD2  LEU  48          2HD2      LEU  48 -13.875  25.319  16.486
  387   3HD2  LEU  48          3HD2      LEU  48 -12.778  26.203  15.424
  388    H    GLU  49           H        GLU  49 -13.930  23.222  10.501
  389    HA   GLU  49           HA       GLU  49 -14.318  25.137   8.516
  390   1HB   GLU  49          1HB       GLU  49 -14.521  22.109   8.354
  391   2HB   GLU  49          2HB       GLU  49 -14.247  23.167   6.970
  392   1HG   GLU  49          1HG       GLU  49 -12.189  24.032   8.089
  393   2HG   GLU  49          2HG       GLU  49 -12.443  22.869   9.390
  394    H    LYS  50           H        LYS  50 -16.675  23.015   9.987
  395    HA   LYS  50           HA       LYS  50 -18.746  23.404   7.963
  396   1HB   LYS  50          1HB       LYS  50 -18.936  22.468  10.846
  397   2HB   LYS  50          2HB       LYS  50 -20.080  22.126   9.548
  398   1HG   LYS  50          1HG       LYS  50 -17.229  21.353   9.102
  399   2HG   LYS  50          2HG       LYS  50 -18.165  20.380  10.237
  400   1HD   LYS  50          1HD       LYS  50 -19.979  20.380   8.355
  401   2HD   LYS  50          2HD       LYS  50 -18.643  20.839   7.299
  402   1HE   LYS  50          1HE       LYS  50 -17.401  18.831   7.914
  403   2HE   LYS  50          2HE       LYS  50 -18.632  18.401   9.117
  404   1HZ   LYS  50          1HZ       LYS  50 -19.590  18.996   6.432
  405   2HZ   LYS  50          2HZ       LYS  50 -18.713  17.551   6.595
  406   3HZ   LYS  50          3HZ       LYS  50 -20.110  17.809   7.526
  407    H    GLU  51           H        GLU  51 -17.786  24.942  11.003
  408    HA   GLU  51           HA       GLU  51 -20.150  26.425  11.557
  409   1HB   GLU  51          1HB       GLU  51 -17.205  27.019  11.976
  410   2HB   GLU  51          2HB       GLU  51 -18.511  27.912  12.754
  411   1HG   GLU  51          1HG       GLU  51 -18.073  24.919  12.993
  412   2HG   GLU  51          2HG       GLU  51 -17.609  26.106  14.213
  413    H    ALA  52           H        ALA  52 -17.663  26.880   9.130
  414    HA   ALA  52           HA       ALA  52 -18.354  29.665   8.552
  415   1HB   ALA  52          1HB       ALA  52 -16.191  28.076   8.164
  416   2HB   ALA  52          2HB       ALA  52 -16.492  29.530   7.212
  417   3HB   ALA  52          3HB       ALA  52 -16.945  27.950   6.575
  418    H    LYS  53           H        LYS  53 -19.443  26.511   7.517
  419    HA   LYS  53           HA       LYS  53 -20.637  27.356   5.006
  420   1HB   LYS  53          1HB       LYS  53 -20.909  24.975   6.855
  421   2HB   LYS  53          2HB       LYS  53 -21.800  25.093   5.337
  422   1HG   LYS  53          1HG       LYS  53 -18.807  25.472   5.429
  423   2HG   LYS  53          2HG       LYS  53 -19.521  23.866   5.294
  424   1HD   LYS  53          1HD       LYS  53 -20.805  24.668   3.294
  425   2HD   LYS  53          2HD       LYS  53 -19.930  26.195   3.394
  426   1HE   LYS  53          1HE       LYS  53 -17.781  24.955   3.148
  427   2HE   LYS  53          2HE       LYS  53 -18.697  23.446   2.971
  428   1HZ   LYS  53          1HZ       LYS  53 -19.090  25.876   1.298
  429   2HZ   LYS  53          2HZ       LYS  53 -18.187  24.519   0.816
  430   3HZ   LYS  53          3HZ       LYS  53 -19.857  24.376   1.094
  431    H    SER  54           H        SER  54 -21.743  27.118   8.361
  432    HA   SER  54           HA       SER  54 -24.558  27.539   7.752
  433   1HB   SER  54          1HB       SER  54 -23.711  26.393   9.770
  434   2HB   SER  54          2HB       SER  54 -22.919  27.882  10.287
  435    HG   SER  54           HG       SER  54 -24.774  28.124  11.276
  436    H    GLN  55           H        GLN  55 -21.825  29.598   7.846
  437    HA   GLN  55           HA       GLN  55 -23.625  31.992   7.874
  438   1HB   GLN  55          1HB       GLN  55 -21.044  31.483   9.377
  439   2HB   GLN  55          2HB       GLN  55 -21.733  33.095   9.183
  440   1HG   GLN  55          1HG       GLN  55 -23.092  30.714  10.485
  441   2HG   GLN  55          2HG       GLN  55 -22.460  32.135  11.318
  442   2HE2  GLN  55          2HE2      GLN  55 -25.259  31.349  11.405
  443   1HE2  GLN  55          1HE2      GLN  55 -26.157  32.570  10.638

  No H/Q in entry =         443
  Start of MODEL   18
    1    H1   LYS   1           H1       LYS   1 -19.091  13.244  31.253
    2    H2   LYS   1           H2       LYS   1 -20.589  13.743  31.873
    3    H3   LYS   1           H3       LYS   1 -19.912  12.269  32.378
    4    HA   LYS   1           HA       LYS   1 -20.563  11.154  30.527
    5   1HB   LYS   1          1HB       LYS   1 -22.342  13.610  30.671
    6   2HB   LYS   1          2HB       LYS   1 -22.773  12.117  29.836
    7   1HG   LYS   1          1HG       LYS   1 -22.553  10.868  31.955
    8   2HG   LYS   1          2HG       LYS   1 -22.117  12.360  32.790
    9   1HD   LYS   1          1HD       LYS   1 -24.307  13.335  32.177
   10   2HD   LYS   1          2HD       LYS   1 -24.742  11.834  31.360
   11   1HE   LYS   1          1HE       LYS   1 -24.373  10.637  33.573
   12   2HE   LYS   1          2HE       LYS   1 -24.240  12.239  34.326
   13   1HZ   LYS   1          1HZ       LYS   1 -26.509  11.327  32.628
   14   2HZ   LYS   1          2HZ       LYS   1 -26.542  11.404  34.325
   15   3HZ   LYS   1          3HZ       LYS   1 -26.386  12.826  33.409
   16    H    ASN   2           H        ASN   2 -21.418  11.517  28.105
   17    HA   ASN   2           HA       ASN   2 -19.308  13.109  26.742
   18   1HB   ASN   2          1HB       ASN   2 -21.303  11.018  25.810
   19   2HB   ASN   2          2HB       ASN   2 -20.050  11.731  24.794
   20   2HD2  ASN   2          2HD2      ASN   2 -20.557   8.906  26.199
   21   1HD2  ASN   2          1HD2      ASN   2 -19.014   8.531  26.798
   22    H    GLU   3           H        GLU   3 -19.824  14.810  25.330
   23    HA   GLU   3           HA       GLU   3 -22.140  16.368  25.737
   24   1HB   GLU   3          1HB       GLU   3 -21.404  17.331  23.457
   25   2HB   GLU   3          2HB       GLU   3 -20.201  17.328  24.746
   26   1HG   GLU   3          1HG       GLU   3 -20.177  14.813  23.291
   27   2HG   GLU   3          2HG       GLU   3 -19.928  16.177  22.202
   28    H    ASP   4           H        ASP   4 -21.614  13.631  23.598
   29    HA   ASP   4           HA       ASP   4 -23.111  12.462  22.187
   30   1HB   ASP   4          1HB       ASP   4 -24.773  13.816  24.291
   31   2HB   ASP   4          2HB       ASP   4 -25.583  12.946  22.988
   32    H    GLN   5           H        GLN   5 -22.181  15.133  21.339
   33    HA   GLN   5           HA       GLN   5 -23.949  15.563  19.107
   34   1HB   GLN   5          1HB       GLN   5 -24.950  17.674  19.838
   35   2HB   GLN   5          2HB       GLN   5 -25.328  16.415  21.014
   36   1HG   GLN   5          1HG       GLN   5 -23.534  17.181  22.475
   37   2HG   GLN   5          2HG       GLN   5 -23.013  18.359  21.271
   38   2HE2  GLN   5          2HE2      GLN   5 -23.772  20.426  21.719
   39   1HE2  GLN   5          1HE2      GLN   5 -25.235  20.783  22.504
   40    H    GLU   6           H        GLU   6 -21.481  16.866  21.271
   41    HA   GLU   6           HA       GLU   6 -20.263  18.307  18.938
   42   1HB   GLU   6          1HB       GLU   6 -20.487  18.825  21.887
   43   2HB   GLU   6          2HB       GLU   6 -19.118  19.502  21.005
   44   1HG   GLU   6          1HG       GLU   6 -20.750  20.491  19.366
   45   2HG   GLU   6          2HG       GLU   6 -22.060  19.938  20.410
   46    H    MET   7           H        MET   7 -19.042  16.431  18.240
   47    HA   MET   7           HA       MET   7 -17.534  14.612  19.661
   48   1HB   MET   7          1HB       MET   7 -16.834  16.203  17.175
   49   2HB   MET   7          2HB       MET   7 -15.959  14.759  17.686
   50   1HG   MET   7          1HG       MET   7 -18.917  14.915  17.027
   51   2HG   MET   7          2HG       MET   7 -17.671  14.159  16.034
   52   1HE   MET   7          1HE       MET   7 -19.825  14.390  18.760
   53   2HE   MET   7          2HE       MET   7 -20.307  12.710  19.036
   54   3HE   MET   7          3HE       MET   7 -19.119  13.474  20.090
   55    H    CYS   8           H        CYS   8 -16.420  17.898  18.756
   56    HA   CYS   8           HA       CYS   8 -13.968  17.655  20.329
   57   1HB   CYS   8          1HB       CYS   8 -14.131  18.982  18.267
   58   2HB   CYS   8          2HB       CYS   8 -15.382  19.989  18.996
   59    H    HIS   9           H        HIS   9 -13.543  18.707  22.328
   60    HA   HIS   9           HA       HIS   9 -15.602  20.336  23.643
   61   1HB   HIS   9          1HB       HIS   9 -16.537  18.131  23.964
   62   2HB   HIS   9          2HB       HIS   9 -14.974  17.487  24.466
   63    HD1  HIS   9           HD1      HIS   9 -17.794  19.686  25.655
   64    HD2  HIS   9           HD2      HIS   9 -14.263  18.049  27.151
   65    HE1  HIS   9           HE1      HIS   9 -17.826  20.076  28.157
   66    H    GLU  10           H        GLU  10 -12.585  18.473  23.929
   67    HA   GLU  10           HA       GLU  10 -11.672  20.056  26.239
   68   1HB   GLU  10          1HB       GLU  10  -9.816  18.525  26.180
   69   2HB   GLU  10          2HB       GLU  10 -11.254  17.584  25.784
   70   1HG   GLU  10          1HG       GLU  10 -10.744  17.813  23.380
   71   2HG   GLU  10          2HG       GLU  10  -9.310  18.762  23.773
   72    H    PHE  11           H        PHE  11 -11.302  20.070  22.751
   73    HA   PHE  11           HA       PHE  11  -8.947  21.829  22.775
   74   1HB   PHE  11          1HB       PHE  11 -10.854  20.759  20.685
   75   2HB   PHE  11          2HB       PHE  11  -9.523  21.839  20.282
   76    HD1  PHE  11           HD1      PHE  11  -7.194  21.118  20.505
   77    HD2  PHE  11           HD2      PHE  11 -10.440  18.469  21.449
   78    HE1  PHE  11           HE1      PHE  11  -5.630  19.197  20.493
   79    HE2  PHE  11           HE2      PHE  11  -8.876  16.548  21.431
   80    HZ   PHE  11           HZ       PHE  11  -6.472  16.916  20.955
   81    H    GLN  12           H        GLN  12 -12.393  22.193  22.902
   82    HA   GLN  12           HA       GLN  12 -12.976  24.573  21.610
   83   1HB   GLN  12          1HB       GLN  12 -14.451  23.107  23.058
   84   2HB   GLN  12          2HB       GLN  12 -13.748  23.903  24.467
   85   1HG   GLN  12          1HG       GLN  12 -14.723  25.967  23.948
   86   2HG   GLN  12          2HG       GLN  12 -14.914  25.559  22.243
   87   2HE2  GLN  12          2HE2      GLN  12 -17.171  25.619  21.951
   88   1HE2  GLN  12          1HE2      GLN  12 -18.279  24.740  22.891
   89    H    ALA  13           H        ALA  13 -11.430  24.251  24.820
   90    HA   ALA  13           HA       ALA  13 -11.143  27.028  25.382
   91   1HB   ALA  13          1HB       ALA  13 -10.003  26.209  27.201
   92   2HB   ALA  13          2HB       ALA  13  -8.999  25.145  26.215
   93   3HB   ALA  13          3HB       ALA  13 -10.645  24.666  26.634
   94    H    PHE  14           H        PHE  14  -9.480  24.974  23.122
   95    HA   PHE  14           HA       PHE  14  -7.130  26.745  22.905
   96   1HB   PHE  14          1HB       PHE  14  -8.061  24.323  21.330
   97   2HB   PHE  14          2HB       PHE  14  -6.455  25.044  21.252
   98    HD1  PHE  14           HD1      PHE  14  -6.687  25.722  24.402
   99    HD2  PHE  14           HD2      PHE  14  -6.974  22.170  22.008
  100    HE1  PHE  14           HE1      PHE  14  -5.983  24.353  26.346
  101    HE2  PHE  14           HE2      PHE  14  -6.271  20.801  23.948
  102    HZ   PHE  14           HZ       PHE  14  -5.774  21.893  26.120
  103    H    MET  15           H        MET  15 -10.134  27.369  22.057
  104    HA   MET  15           HA       MET  15  -9.810  27.924  19.187
  105   1HB   MET  15          1HB       MET  15 -11.957  28.456  21.257
  106   2HB   MET  15          2HB       MET  15 -12.128  28.859  19.548
  107   1HG   MET  15          1HG       MET  15 -11.662  26.471  18.989
  108   2HG   MET  15          2HG       MET  15 -11.635  26.108  20.710
  109   1HE   MET  15          1HE       MET  15 -13.671  27.316  22.233
  110   2HE   MET  15          2HE       MET  15 -13.817  28.690  21.139
  111   3HE   MET  15          3HE       MET  15 -15.244  27.738  21.543
  112    H    LYS  16           H        LYS  16  -9.031  29.813  18.406
  113    HA   LYS  16           HA       LYS  16  -8.760  32.133  20.287
  114   1HB   LYS  16          1HB       LYS  16  -6.656  31.187  19.488
  115   2HB   LYS  16          2HB       LYS  16  -7.216  31.277  17.818
  116   1HG   LYS  16          1HG       LYS  16  -5.706  33.165  18.388
  117   2HG   LYS  16          2HG       LYS  16  -7.324  33.726  17.967
  118   1HD   LYS  16          1HD       LYS  16  -6.583  34.899  19.968
  119   2HD   LYS  16          2HD       LYS  16  -7.880  33.788  20.409
  120   1HE   LYS  16          1HE       LYS  16  -6.212  32.132  21.180
  121   2HE   LYS  16          2HE       LYS  16  -4.904  33.242  20.727
  122   1HZ   LYS  16          1HZ       LYS  16  -7.128  34.138  22.456
  123   2HZ   LYS  16          2HZ       LYS  16  -5.797  33.326  23.129
  124   3HZ   LYS  16          3HZ       LYS  16  -5.567  34.792  22.307
  125    H    ASN  17           H        ASN  17 -10.697  33.260  19.860
  126    HA   ASN  17           HA       ASN  17 -12.229  34.571  18.626
  127   1HB   ASN  17          1HB       ASN  17  -9.708  34.812  16.950
  128   2HB   ASN  17          2HB       ASN  17 -11.096  35.896  16.843
  129   2HD2  ASN  17          2HD2      ASN  17  -8.102  36.003  18.009
  130   1HD2  ASN  17          1HD2      ASN  17  -8.332  36.856  19.457
  131    H    GLY  18           H        GLY  18 -12.655  31.915  18.139
  132   1HA   GLY  18          1HA       GLY  18 -13.720  31.944  15.433
  133   2HA   GLY  18          2HA       GLY  18 -13.841  30.606  16.575
  134    H    LYS  19           H        LYS  19 -10.763  30.925  16.879
  135    HA   LYS  19           HA       LYS  19 -10.078  29.361  14.412
  136   1HB   LYS  19          1HB       LYS  19  -9.249  31.790  14.632
  137   2HB   LYS  19          2HB       LYS  19  -8.219  31.194  15.933
  138   1HG   LYS  19          1HG       LYS  19  -8.224  29.742  13.306
  139   2HG   LYS  19          2HG       LYS  19  -7.327  31.255  13.438
  140   1HD   LYS  19          1HD       LYS  19  -6.997  28.944  15.373
  141   2HD   LYS  19          2HD       LYS  19  -5.971  29.182  13.961
  142   1HE   LYS  19          1HE       LYS  19  -6.370  31.384  16.001
  143   2HE   LYS  19          2HE       LYS  19  -5.098  30.161  16.180
  144   1HZ   LYS  19          1HZ       LYS  19  -5.403  31.326  13.530
  145   2HZ   LYS  19          2HZ       LYS  19  -4.798  32.375  14.722
  146   3HZ   LYS  19          3HZ       LYS  19  -3.990  30.921  14.375
  147    H    LEU  20           H        LEU  20 -10.118  27.303  15.388
  148    HA   LEU  20           HA       LEU  20  -8.880  26.830  18.005
  149   1HB   LEU  20          1HB       LEU  20 -10.814  25.556  17.429
  150   2HB   LEU  20          2HB       LEU  20 -10.171  25.162  15.838
  151    HG   LEU  20           HG       LEU  20 -10.089  23.337  17.690
  152   1HD1  LEU  20          1HD1      LEU  20  -8.670  23.743  15.412
  153   2HD1  LEU  20          2HD1      LEU  20  -7.361  23.690  16.592
  154   3HD1  LEU  20          3HD1      LEU  20  -8.468  22.326  16.443
  155   1HD2  LEU  20          1HD2      LEU  20  -8.999  25.116  19.274
  156   2HD2  LEU  20          2HD2      LEU  20  -8.403  23.456  19.308
  157   3HD2  LEU  20          3HD2      LEU  20  -7.508  24.695  18.428
  158    H    PHE  21           H        PHE  21  -6.670  26.735  18.154
  159    HA   PHE  21           HA       PHE  21  -5.094  25.919  15.770
  160   1HB   PHE  21          1HB       PHE  21  -3.184  26.622  17.386
  161   2HB   PHE  21          2HB       PHE  21  -4.251  27.880  16.776
  162    HD1  PHE  21           HD1      PHE  21  -3.387  25.814  19.722
  163    HD2  PHE  21           HD2      PHE  21  -5.810  29.031  18.223
  164    HE1  PHE  21           HE1      PHE  21  -3.979  26.449  22.042
  165    HE2  PHE  21           HE2      PHE  21  -6.401  29.665  20.547
  166    HZ   PHE  21           HZ       PHE  21  -5.486  28.375  22.456
  167    H    CYS  22           H        CYS  22  -5.651  23.652  15.848
  168    HA   CYS  22           HA       CYS  22  -5.384  21.938  18.083
  169   1HB   CYS  22          1HB       CYS  22  -6.490  21.124  16.180
  170   2HB   CYS  22          2HB       CYS  22  -5.203  21.623  15.092
  171    HA   PRO  23           HA       PRO  23  -0.809  21.182  16.641
  172   1HB   PRO  23          1HB       PRO  23   0.125  23.646  15.490
  173   2HB   PRO  23          2HB       PRO  23  -0.003  22.063  14.718
  174   1HG   PRO  23          1HG       PRO  23  -1.598  24.374  14.212
  175   2HG   PRO  23          2HG       PRO  23  -1.791  22.763  13.516
  176   1HD   PRO  23          1HD       PRO  23  -3.440  24.087  15.519
  177   2HD   PRO  23          2HD       PRO  23  -3.726  22.540  14.692
  178    H    GLN  24           H        GLN  24  -1.016  21.546  19.046
  179    HA   GLN  24           HA       GLN  24   0.452  24.026  19.871
  180   1HB   GLN  24          1HB       GLN  24  -1.006  23.814  21.980
  181   2HB   GLN  24          2HB       GLN  24  -1.826  24.341  20.512
  182   1HG   GLN  24          1HG       GLN  24  -2.856  22.255  20.191
  183   2HG   GLN  24          2HG       GLN  24  -1.691  21.415  21.214
  184   2HE2  GLN  24          2HE2      GLN  24  -1.901  21.729  23.587
  185   1HE2  GLN  24          1HE2      GLN  24  -3.376  22.243  24.253
  186    H    ASP  25           H        ASP  25  -0.423  22.012  22.467
  187    HA   ASP  25           HA       ASP  25   2.363  21.052  22.704
  188   1HB   ASP  25          1HB       ASP  25  -0.061  21.381  24.432
  189   2HB   ASP  25          2HB       ASP  25   1.167  20.222  24.941
  190    H    LYS  26           H        LYS  26   1.722  19.599  20.688
  191    HA   LYS  26           HA       LYS  26  -0.021  17.352  21.030
  192   1HB   LYS  26          1HB       LYS  26   2.235  18.165  19.236
  193   2HB   LYS  26          2HB       LYS  26   1.658  16.500  19.157
  194   1HG   LYS  26          1HG       LYS  26  -0.597  17.239  18.671
  195   2HG   LYS  26          2HG       LYS  26  -0.152  18.924  18.945
  196   1HD   LYS  26          1HD       LYS  26   0.830  17.113  16.721
  197   2HD   LYS  26          2HD       LYS  26  -0.184  18.545  16.554
  198   1HE   LYS  26          1HE       LYS  26   1.779  19.660  16.195
  199   2HE   LYS  26          2HE       LYS  26   2.029  19.503  17.944
  200   1HZ   LYS  26          1HZ       LYS  26   2.769  17.433  15.938
  201   2HZ   LYS  26          2HZ       LYS  26   3.865  18.539  16.610
  202   3HZ   LYS  26          3HZ       LYS  26   3.100  17.393  17.604
  203    H    LYS  27           H        LYS  27   2.891  18.019  22.620
  204    HA   LYS  27           HA       LYS  27   4.390  15.697  22.733
  205   1HB   LYS  27          1HB       LYS  27   3.415  17.517  24.954
  206   2HB   LYS  27          2HB       LYS  27   4.730  16.358  25.145
  207   1HG   LYS  27          1HG       LYS  27   4.693  18.523  23.025
  208   2HG   LYS  27          2HG       LYS  27   5.497  18.695  24.585
  209   1HD   LYS  27          1HD       LYS  27   6.934  16.780  24.097
  210   2HD   LYS  27          2HD       LYS  27   6.080  16.494  22.580
  211   1HE   LYS  27          1HE       LYS  27   6.751  18.935  21.981
  212   2HE   LYS  27          2HE       LYS  27   7.932  18.772  23.296
  213   1HZ   LYS  27          1HZ       LYS  27   8.502  16.558  22.219
  214   2HZ   LYS  27          2HZ       LYS  27   7.646  17.103  20.859
  215   3HZ   LYS  27          3HZ       LYS  27   9.019  17.952  21.394
  216    H    PHE  28           H        PHE  28   1.107  16.151  23.872
  217    HA   PHE  28           HA       PHE  28   0.731  14.123  25.744
  218   1HB   PHE  28          1HB       PHE  28  -1.045  14.799  23.376
  219   2HB   PHE  28          2HB       PHE  28  -1.571  14.121  24.915
  220    HD1  PHE  28           HD1      PHE  28  -0.144  15.621  26.923
  221    HD2  PHE  28           HD2      PHE  28  -1.832  16.998  23.221
  222    HE1  PHE  28           HE1      PHE  28  -0.347  17.905  27.865
  223    HE2  PHE  28           HE2      PHE  28  -2.036  19.282  24.163
  224    HZ   PHE  28           HZ       PHE  28  -1.293  19.736  26.485
  225    H    PHE  29           H        PHE  29   1.513  13.793  22.360
  226    HA   PHE  29           HA       PHE  29   0.544  11.213  21.753
  227   1HB   PHE  29          1HB       PHE  29   1.602  12.797  20.182
  228   2HB   PHE  29          2HB       PHE  29   3.151  12.572  20.992
  229    HD1  PHE  29           HD1      PHE  29   4.074  10.151  21.126
  230    HD2  PHE  29           HD2      PHE  29   0.967  11.373  18.424
  231    HE1  PHE  29           HE1      PHE  29   4.529   8.169  19.708
  232    HE2  PHE  29           HE2      PHE  29   1.422   9.390  17.004
  233    HZ   PHE  29           HZ       PHE  29   3.203   7.788  17.647
  234    H    GLN  30           H        GLN  30   2.957  12.129  24.046
  235    HA   GLN  30           HA       GLN  30   4.588   9.759  24.016
  236   1HB   GLN  30          1HB       GLN  30   3.923  11.739  26.217
  237   2HB   GLN  30          2HB       GLN  30   5.303  10.639  26.215
  238   1HG   GLN  30          1HG       GLN  30   5.105  12.210  23.751
  239   2HG   GLN  30          2HG       GLN  30   5.293  13.216  25.187
  240   2HE2  GLN  30          2HE2      GLN  30   7.128  11.795  22.864
  241   1HE2  GLN  30          1HE2      GLN  30   8.535  11.459  23.752
  242    H    SER  31           H        SER  31   1.332  10.164  24.924
  243    HA   SER  31           HA       SER  31   1.381   7.530  26.311
  244   1HB   SER  31          1HB       SER  31   1.610   9.096  28.114
  245   2HB   SER  31          2HB       SER  31   0.387  10.164  27.426
  246    HG   SER  31           HG       SER  31  -0.611   8.999  29.004
  247    H    LEU  32           H        LEU  32  -0.869   6.653  26.549
  248    HA   LEU  32           HA       LEU  32  -2.416   6.981  24.143
  249   1HB   LEU  32          1HB       LEU  32  -2.145   4.983  25.765
  250   2HB   LEU  32          2HB       LEU  32  -3.367   5.791  26.748
  251    HG   LEU  32           HG       LEU  32  -4.311   4.094  25.141
  252   1HD1  LEU  32          1HD1      LEU  32  -5.368   6.418  25.954
  253   2HD1  LEU  32          2HD1      LEU  32  -5.314   6.751  24.223
  254   3HD1  LEU  32          3HD1      LEU  32  -6.213   5.359  24.824
  255   1HD2  LEU  32          1HD2      LEU  32  -2.532   4.970  23.362
  256   2HD2  LEU  32          2HD2      LEU  32  -4.086   4.315  22.847
  257   3HD2  LEU  32          3HD2      LEU  32  -3.850   6.060  22.933
  258    H    ASP  33           H        ASP  33  -3.173   7.807  27.541
  259    HA   ASP  33           HA       ASP  33  -5.626   9.137  27.086
  260   1HB   ASP  33          1HB       ASP  33  -4.499   8.483  29.274
  261   2HB   ASP  33          2HB       ASP  33  -3.471   9.903  29.085
  262    H    GLY  34           H        GLY  34  -2.288  10.346  26.968
  263   1HA   GLY  34          1HA       GLY  34  -1.439  12.394  26.155
  264   2HA   GLY  34          2HA       GLY  34  -3.066  13.066  26.306
  265    H    ILE  35           H        ILE  35  -2.167  10.160  24.525
  266    HA   ILE  35           HA       ILE  35  -2.002  11.260  21.902
  267    HB   ILE  35           HB       ILE  35  -2.547   8.610  23.188
  268   1HG1  ILE  35          1HG1      ILE  35  -0.253   9.649  22.705
  269   2HG1  ILE  35          2HG1      ILE  35  -0.500   7.999  22.133
  270   1HG2  ILE  35          1HG2      ILE  35  -3.225   9.326  20.353
  271   2HG2  ILE  35          2HG2      ILE  35  -2.542   7.736  20.692
  272   3HG2  ILE  35          3HG2      ILE  35  -4.055   8.228  21.455
  273   1HD1  ILE  35          1HD1      ILE  35  -1.173  10.286  20.311
  274   2HD1  ILE  35          2HD1      ILE  35   0.516   9.822  20.514
  275   3HD1  ILE  35          3HD1      ILE  35  -0.650   8.651  19.903
  276    H    MET  36           H        MET  36  -4.772  10.083  23.801
  277    HA   MET  36           HA       MET  36  -6.836  10.021  21.964
  278   1HB   MET  36          1HB       MET  36  -6.592  11.065  24.778
  279   2HB   MET  36          2HB       MET  36  -8.144  11.122  23.944
  280   1HG   MET  36          1HG       MET  36  -6.459   8.632  24.347
  281   2HG   MET  36          2HG       MET  36  -7.912   9.038  25.259
  282   1HE   MET  36          1HE       MET  36 -10.180   8.583  24.641
  283   2HE   MET  36          2HE       MET  36 -10.066  10.030  23.643
  284   3HE   MET  36          3HE       MET  36 -10.823   8.580  22.992
  285    H    PHE  37           H        PHE  37  -5.667  13.002  23.597
  286    HA   PHE  37           HA       PHE  37  -7.341  14.880  22.408
  287   1HB   PHE  37          1HB       PHE  37  -5.953  16.172  23.634
  288   2HB   PHE  37          2HB       PHE  37  -4.900  14.779  23.864
  289    HD1  PHE  37           HD1      PHE  37  -3.068  14.331  22.150
  290    HD2  PHE  37           HD2      PHE  37  -5.299  17.995  22.278
  291    HE1  PHE  37           HE1      PHE  37  -1.330  15.439  20.778
  292    HE2  PHE  37           HE2      PHE  37  -3.565  19.100  20.900
  293    HZ   PHE  37           HZ       PHE  37  -1.589  17.813  20.147
  294    H    ILE  38           H        ILE  38  -4.302  13.569  21.001
  295    HA   ILE  38           HA       ILE  38  -4.255  15.008  18.589
  296    HB   ILE  38           HB       ILE  38  -3.570  12.134  19.267
  297   1HG1  ILE  38          1HG1      ILE  38  -2.022  14.730  19.133
  298   2HG1  ILE  38          2HG1      ILE  38  -2.236  13.669  20.526
  299   1HG2  ILE  38          1HG2      ILE  38  -3.825  13.253  16.700
  300   2HG2  ILE  38          2HG2      ILE  38  -2.095  13.278  17.046
  301   3HG2  ILE  38          3HG2      ILE  38  -2.987  11.759  17.121
  302   1HD1  ILE  38          1HD1      ILE  38  -0.796  12.865  17.981
  303   2HD1  ILE  38          2HD1      ILE  38   0.015  13.441  19.437
  304   3HD1  ILE  38          3HD1      ILE  38  -0.898  11.934  19.475
  305    H    ASN  39           H        ASN  39  -6.139  12.122  19.446
  306    HA   ASN  39           HA       ASN  39  -7.260  11.637  16.850
  307   1HB   ASN  39          1HB       ASN  39  -8.193  11.062  19.677
  308   2HB   ASN  39          2HB       ASN  39  -8.956  10.380  18.241
  309   2HD2  ASN  39          2HD2      ASN  39  -7.587   8.794  20.284
  310   1HD2  ASN  39          1HD2      ASN  39  -6.256   8.053  19.534
  311    H    LYS  40           H        LYS  40  -8.321  13.621  19.594
  312    HA   LYS  40           HA       LYS  40 -10.778  14.471  18.215
  313   1HB   LYS  40          1HB       LYS  40  -9.448  14.776  20.862
  314   2HB   LYS  40          2HB       LYS  40 -10.555  16.064  20.389
  315   1HG   LYS  40          1HG       LYS  40 -12.386  14.572  20.198
  316   2HG   LYS  40          2HG       LYS  40 -11.335  13.156  20.170
  317   1HD   LYS  40          1HD       LYS  40 -10.652  14.307  22.568
  318   2HD   LYS  40          2HD       LYS  40 -12.374  14.679  22.470
  319   1HE   LYS  40          1HE       LYS  40 -12.861  12.280  22.045
  320   2HE   LYS  40          2HE       LYS  40 -11.131  11.917  22.188
  321   1HZ   LYS  40          1HZ       LYS  40 -12.371  13.532  24.293
  322   2HZ   LYS  40          2HZ       LYS  40 -12.730  11.871  24.280
  323   3HZ   LYS  40          3HZ       LYS  40 -11.120  12.389  24.405
  324    H    CYS  41           H        CYS  41  -7.488  15.573  18.574
  325    HA   CYS  41           HA       CYS  41  -7.796  18.368  18.120
  326   1HB   CYS  41          1HB       CYS  41  -5.762  16.684  18.633
  327   2HB   CYS  41          2HB       CYS  41  -5.526  16.860  16.894
  328    H    ALA  42           H        ALA  42  -6.907  15.866  15.704
  329    HA   ALA  42           HA       ALA  42  -7.291  17.543  13.418
  330   1HB   ALA  42          1HB       ALA  42  -7.203  14.575  13.961
  331   2HB   ALA  42          2HB       ALA  42  -7.469  15.186  12.328
  332   3HB   ALA  42          3HB       ALA  42  -5.983  15.587  13.186
  333    H    THR  43           H        THR  43  -9.509  15.505  15.269
  334    HA   THR  43           HA       THR  43 -11.675  15.685  13.309
  335    HB   THR  43           HB       THR  43 -11.545  14.831  16.220
  336    HG1  THR  43           HG1      THR  43 -10.291  13.589  14.774
  337   1HG2  THR  43          1HG2      THR  43 -13.822  15.489  14.957
  338   2HG2  THR  43          2HG2      THR  43 -13.642  13.841  14.354
  339   3HG2  THR  43          3HG2      THR  43 -13.731  14.140  16.089
  340    H    CYS  44           H        CYS  44 -10.612  17.504  16.126
  341    HA   CYS  44           HA       CYS  44 -13.138  19.023  16.301
  342   1HB   CYS  44          1HB       CYS  44 -11.995  18.449  18.344
  343   2HB   CYS  44          2HB       CYS  44 -10.467  19.085  17.733
  344    H    LYS  45           H        LYS  45  -9.710  19.674  15.488
  345    HA   LYS  45           HA       LYS  45  -9.893  22.421  14.902
  346   1HB   LYS  45          1HB       LYS  45  -7.834  22.062  13.759
  347   2HB   LYS  45          2HB       LYS  45  -7.896  20.787  14.974
  348   1HG   LYS  45          1HG       LYS  45  -7.452  19.425  13.195
  349   2HG   LYS  45          2HG       LYS  45  -9.185  19.568  12.904
  350   1HD   LYS  45          1HD       LYS  45  -8.908  21.046  11.150
  351   2HD   LYS  45          2HD       LYS  45  -7.405  21.700  11.800
  352   1HE   LYS  45          1HE       LYS  45  -6.191  19.683  11.145
  353   2HE   LYS  45          2HE       LYS  45  -7.698  18.919  10.606
  354   1HZ   LYS  45          1HZ       LYS  45  -6.617  21.492   9.572
  355   2HZ   LYS  45          2HZ       LYS  45  -6.494  20.004   8.768
  356   3HZ   LYS  45          3HZ       LYS  45  -8.021  20.703   9.029
  357    H    MET  46           H        MET  46 -11.036  19.667  13.056
  358    HA   MET  46           HA       MET  46 -11.410  21.129  10.560
  359   1HB   MET  46          1HB       MET  46 -12.622  19.031   9.957
  360   2HB   MET  46          2HB       MET  46 -11.039  18.706  10.661
  361   1HG   MET  46          1HG       MET  46 -11.942  17.641  12.438
  362   2HG   MET  46          2HG       MET  46 -13.134  18.916  12.688
  363   1HE   MET  46          1HE       MET  46 -14.821  19.423  10.934
  364   2HE   MET  46          2HE       MET  46 -14.421  18.670   9.392
  365   3HE   MET  46          3HE       MET  46 -15.899  18.209  10.232
  366    H    ILE  47           H        ILE  47 -13.238  20.600  13.483
  367    HA   ILE  47           HA       ILE  47 -15.880  21.134  12.500
  368    HB   ILE  47           HB       ILE  47 -14.681  21.774  15.214
  369   1HG1  ILE  47          1HG1      ILE  47 -14.046  19.516  14.753
  370   2HG1  ILE  47          2HG1      ILE  47 -15.495  19.410  15.752
  371   1HG2  ILE  47          1HG2      ILE  47 -17.445  21.379  14.120
  372   2HG2  ILE  47          2HG2      ILE  47 -17.113  20.905  15.785
  373   3HG2  ILE  47          3HG2      ILE  47 -16.863  22.575  15.279
  374   1HD1  ILE  47          1HD1      ILE  47 -16.867  19.135  13.703
  375   2HD1  ILE  47          2HD1      ILE  47 -15.398  19.196  12.726
  376   3HD1  ILE  47          3HD1      ILE  47 -15.655  17.862  13.850
  377    H    LEU  48           H        LEU  48 -13.145  23.183  13.239
  378    HA   LEU  48           HA       LEU  48 -14.703  25.669  13.364
  379   1HB   LEU  48          1HB       LEU  48 -11.746  25.008  13.166
  380   2HB   LEU  48          2HB       LEU  48 -12.374  26.638  13.397
  381    HG   LEU  48           HG       LEU  48 -11.879  25.899  15.587
  382   1HD1  LEU  48          1HD1      LEU  48 -14.308  26.710  15.113
  383   2HD1  LEU  48          2HD1      LEU  48 -14.757  25.028  15.393
  384   3HD1  LEU  48          3HD1      LEU  48 -13.967  25.954  16.669
  385   1HD2  LEU  48          1HD2      LEU  48 -11.668  23.461  14.754
  386   2HD2  LEU  48          2HD2      LEU  48 -12.215  23.710  16.412
  387   3HD2  LEU  48          3HD2      LEU  48 -13.382  23.321  15.148
  388    H    GLU  49           H        GLU  49 -12.634  23.981  11.014
  389    HA   GLU  49           HA       GLU  49 -12.565  26.000   8.998
  390   1HB   GLU  49          1HB       GLU  49 -12.545  22.969   8.814
  391   2HB   GLU  49          2HB       GLU  49 -11.997  24.064   7.545
  392   1HG   GLU  49          1HG       GLU  49 -10.336  25.018   9.161
  393   2HG   GLU  49          2HG       GLU  49 -10.826  23.791  10.329
  394    H    LYS  50           H        LYS  50 -15.060  23.705   9.913
  395    HA   LYS  50           HA       LYS  50 -16.617  23.681   7.526
  396   1HB   LYS  50          1HB       LYS  50 -17.310  23.475  10.472
  397   2HB   LYS  50          2HB       LYS  50 -18.452  23.112   9.179
  398   1HG   LYS  50          1HG       LYS  50 -15.739  21.785   9.413
  399   2HG   LYS  50          2HG       LYS  50 -17.210  21.100  10.106
  400   1HD   LYS  50          1HD       LYS  50 -16.848  21.808   7.177
  401   2HD   LYS  50          2HD       LYS  50 -16.708  20.181   7.841
  402   1HE   LYS  50          1HE       LYS  50 -19.062  20.370   8.688
  403   2HE   LYS  50          2HE       LYS  50 -19.186  21.940   7.874
  404   1HZ   LYS  50          1HZ       LYS  50 -18.437  20.793   5.813
  405   2HZ   LYS  50          2HZ       LYS  50 -18.574  19.309   6.628
  406   3HZ   LYS  50          3HZ       LYS  50 -19.952  20.267   6.363
  407    H    GLU  51           H        GLU  51 -16.808  25.838  10.381
  408    HA   GLU  51           HA       GLU  51 -18.996  27.432   9.599
  409   1HB   GLU  51          1HB       GLU  51 -16.422  28.102  11.059
  410   2HB   GLU  51          2HB       GLU  51 -17.843  29.146  11.043
  411   1HG   GLU  51          1HG       GLU  51 -19.187  27.309  12.024
  412   2HG   GLU  51          2HG       GLU  51 -17.748  26.291  12.068
  413    H    ALA  52           H        ALA  52 -15.705  27.400   8.379
  414    HA   ALA  52           HA       ALA  52 -15.897  29.989   7.029
  415   1HB   ALA  52          1HB       ALA  52 -13.963  27.885   7.578
  416   2HB   ALA  52          2HB       ALA  52 -13.841  28.440   5.909
  417   3HB   ALA  52          3HB       ALA  52 -13.678  29.591   7.235
  418    H    LYS  53           H        LYS  53 -16.774  26.701   6.302
  419    HA   LYS  53           HA       LYS  53 -16.724  26.942   3.404
  420   1HB   LYS  53          1HB       LYS  53 -16.566  24.819   4.684
  421   2HB   LYS  53          2HB       LYS  53 -18.213  25.061   5.266
  422   1HG   LYS  53          1HG       LYS  53 -18.954  25.137   2.846
  423   2HG   LYS  53          2HG       LYS  53 -17.322  24.636   2.401
  424   1HD   LYS  53          1HD       LYS  53 -17.590  22.626   3.865
  425   2HD   LYS  53          2HD       LYS  53 -19.259  23.109   4.167
  426   1HE   LYS  53          1HE       LYS  53 -19.698  23.006   1.704
  427   2HE   LYS  53          2HE       LYS  53 -18.047  22.399   1.471
  428   1HZ   LYS  53          1HZ       LYS  53 -19.823  21.157   3.474
  429   2HZ   LYS  53          2HZ       LYS  53 -19.961  20.713   1.839
  430   3HZ   LYS  53          3HZ       LYS  53 -18.494  20.482   2.665
  431    H    SER  54           H        SER  54 -19.057  27.664   5.936
  432    HA   SER  54           HA       SER  54 -21.387  27.820   4.216
  433   1HB   SER  54          1HB       SER  54 -21.337  27.479   6.705
  434   2HB   SER  54          2HB       SER  54 -20.801  29.150   6.881
  435    HG   SER  54           HG       SER  54 -22.719  29.791   5.816
  436    H    GLN  55           H        GLN  55 -18.693  29.907   4.799
  437    HA   GLN  55           HA       GLN  55 -20.155  32.312   3.824
  438   1HB   GLN  55          1HB       GLN  55 -18.700  32.422   5.829
  439   2HB   GLN  55          2HB       GLN  55 -17.329  31.890   4.854
  440   1HG   GLN  55          1HG       GLN  55 -17.640  33.892   3.396
  441   2HG   GLN  55          2HG       GLN  55 -18.928  34.439   4.469
  442   2HE2  GLN  55          2HE2      GLN  55 -18.248  35.802   6.130
  443   1HE2  GLN  55          1HE2      GLN  55 -16.663  35.892   6.731

  No H/Q in entry =         443
  Start of MODEL   19
    1    H1   LYS   1           H1       LYS   1 -27.757  20.065  17.894
    2    H2   LYS   1           H2       LYS   1 -27.122  21.299  16.914
    3    H3   LYS   1           H3       LYS   1 -27.841  19.938  16.202
    4    HA   LYS   1           HA       LYS   1 -26.031  18.612  16.523
    5   1HB   LYS   1          1HB       LYS   1 -24.991  21.464  16.597
    6   2HB   LYS   1          2HB       LYS   1 -24.043  20.057  16.114
    7   1HG   LYS   1          1HG       LYS   1 -25.681  19.605  14.299
    8   2HG   LYS   1          2HG       LYS   1 -26.569  21.057  14.762
    9   1HD   LYS   1          1HD       LYS   1 -24.651  22.457  14.241
   10   2HD   LYS   1          2HD       LYS   1 -23.652  21.037  13.931
   11   1HE   LYS   1          1HE       LYS   1 -25.337  20.411  12.106
   12   2HE   LYS   1          2HE       LYS   1 -26.004  22.043  12.304
   13   1HZ   LYS   1          1HZ       LYS   1 -23.708  22.899  12.042
   14   2HZ   LYS   1          2HZ       LYS   1 -23.183  21.324  11.681
   15   3HZ   LYS   1          3HZ       LYS   1 -24.277  22.116  10.650
   16    H    ASN   2           H        ASN   2 -24.601  17.673  18.024
   17    HA   ASN   2           HA       ASN   2 -24.481  18.992  20.719
   18   1HB   ASN   2          1HB       ASN   2 -24.519  16.061  19.922
   19   2HB   ASN   2          2HB       ASN   2 -24.455  16.664  21.579
   20   2HD2  ASN   2          2HD2      ASN   2 -26.635  15.146  19.945
   21   1HD2  ASN   2          1HD2      ASN   2 -28.039  16.056  20.227
   22    H    GLU   3           H        GLU   3 -22.447  19.056  21.729
   23    HA   GLU   3           HA       GLU   3 -20.084  19.005  20.135
   24   1HB   GLU   3          1HB       GLU   3 -20.459  18.742  23.137
   25   2HB   GLU   3          2HB       GLU   3 -18.978  19.258  22.331
   26   1HG   GLU   3          1HG       GLU   3 -20.328  21.134  21.284
   27   2HG   GLU   3          2HG       GLU   3 -21.651  20.683  22.359
   28    H    ASP   4           H        ASP   4 -21.730  16.494  21.945
   29    HA   ASP   4           HA       ASP   4 -19.513  14.628  22.075
   30   1HB   ASP   4          1HB       ASP   4 -22.523  14.465  22.306
   31   2HB   ASP   4          2HB       ASP   4 -21.494  13.047  22.506
   32    H    GLN   5           H        GLN   5 -21.308  15.781  19.480
   33    HA   GLN   5           HA       GLN   5 -21.381  13.263  17.939
   34   1HB   GLN   5          1HB       GLN   5 -23.119  15.125  17.894
   35   2HB   GLN   5          2HB       GLN   5 -21.919  16.117  17.066
   36   1HG   GLN   5          1HG       GLN   5 -21.904  14.724  15.164
   37   2HG   GLN   5          2HG       GLN   5 -22.626  13.373  16.037
   38   2HE2  GLN   5          2HE2      GLN   5 -23.677  14.611  13.556
   39   1HE2  GLN   5          1HE2      GLN   5 -25.221  15.205  13.937
   40    H    GLU   6           H        GLU   6 -19.630  16.333  18.005
   41    HA   GLU   6           HA       GLU   6 -17.811  15.439  15.832
   42   1HB   GLU   6          1HB       GLU   6 -17.888  17.998  17.467
   43   2HB   GLU   6          2HB       GLU   6 -17.047  17.753  15.936
   44   1HG   GLU   6          1HG       GLU   6 -20.049  17.522  16.306
   45   2HG   GLU   6          2HG       GLU   6 -19.227  18.939  15.655
   46    H    MET   7           H        MET   7 -18.075  15.218  19.186
   47    HA   MET   7           HA       MET   7 -16.556  14.695  20.901
   48   1HB   MET   7          1HB       MET   7 -15.148  13.640  18.427
   49   2HB   MET   7          2HB       MET   7 -14.745  13.176  20.080
   50   1HG   MET   7          1HG       MET   7 -16.849  12.120  20.409
   51   2HG   MET   7          2HG       MET   7 -17.546  12.891  18.984
   52   1HE   MET   7          1HE       MET   7 -16.597  12.836  16.858
   53   2HE   MET   7          2HE       MET   7 -14.965  12.207  16.642
   54   3HE   MET   7          3HE       MET   7 -16.354  11.308  16.015
   55    H    CYS   8           H        CYS   8 -16.252  17.260  20.716
   56    HA   CYS   8           HA       CYS   8 -13.326  17.724  20.739
   57   1HB   CYS   8          1HB       CYS   8 -15.324  18.989  18.857
   58   2HB   CYS   8          2HB       CYS   8 -13.795  19.780  19.242
   59    H    HIS   9           H        HIS   9 -13.204  18.523  22.821
   60    HA   HIS   9           HA       HIS   9 -15.065  20.765  23.542
   61   1HB   HIS   9          1HB       HIS   9 -13.912  18.603  25.334
   62   2HB   HIS   9          2HB       HIS   9 -15.081  19.836  25.806
   63    HD1  HIS   9           HD1      HIS   9 -14.760  16.649  23.848
   64    HD2  HIS   9           HD2      HIS   9 -17.739  19.375  24.886
   65    HE1  HIS   9           HE1      HIS   9 -16.967  15.568  23.232
   66    H    GLU  10           H        GLU  10 -11.938  19.231  24.406
   67    HA   GLU  10           HA       GLU  10 -10.857  21.544  25.729
   68   1HB   GLU  10          1HB       GLU  10  -9.718  19.050  24.452
   69   2HB   GLU  10          2HB       GLU  10  -8.693  20.228  25.271
   70   1HG   GLU  10          1HG       GLU  10 -11.063  18.796  26.512
   71   2HG   GLU  10          2HG       GLU  10  -9.368  18.408  26.806
   72    H    PHE  11           H        PHE  11 -10.439  20.277  22.406
   73    HA   PHE  11           HA       PHE  11  -8.606  22.236  21.464
   74   1HB   PHE  11          1HB       PHE  11 -10.804  20.633  20.148
   75   2HB   PHE  11          2HB       PHE  11  -9.619  21.563  19.237
   76    HD1  PHE  11           HD1      PHE  11  -7.099  21.120  19.838
   77    HD2  PHE  11           HD2      PHE  11 -10.313  18.412  20.731
   78    HE1  PHE  11           HE1      PHE  11  -5.476  19.251  20.016
   79    HE2  PHE  11           HE2      PHE  11  -8.692  16.547  20.906
   80    HZ   PHE  11           HZ       PHE  11  -6.277  16.967  20.547
   81    H    GLN  12           H        GLN  12 -12.192  22.200  21.315
   82    HA   GLN  12           HA       GLN  12 -12.668  24.570  19.919
   83   1HB   GLN  12          1HB       GLN  12 -14.397  23.021  20.726
   84   2HB   GLN  12          2HB       GLN  12 -14.047  23.475  22.394
   85   1HG   GLN  12          1HG       GLN  12 -15.097  25.512  22.203
   86   2HG   GLN  12          2HG       GLN  12 -14.665  25.690  20.502
   87   2HE2  GLN  12          2HE2      GLN  12 -16.888  26.142  19.847
   88   1HE2  GLN  12          1HE2      GLN  12 -18.083  24.937  19.864
   89    H    ALA  13           H        ALA  13 -11.747  24.175  23.327
   90    HA   ALA  13           HA       ALA  13 -11.990  26.966  24.036
   91   1HB   ALA  13          1HB       ALA  13 -11.170  26.214  26.087
   92   2HB   ALA  13          2HB       ALA  13 -10.054  25.075  25.333
   93   3HB   ALA  13          3HB       ALA  13 -11.776  24.702  25.410
   94    H    PHE  14           H        PHE  14  -9.703  25.178  22.185
   95    HA   PHE  14           HA       PHE  14  -7.437  26.985  22.696
   96   1HB   PHE  14          1HB       PHE  14  -7.947  24.748  20.708
   97   2HB   PHE  14          2HB       PHE  14  -6.388  25.522  20.969
   98    HD1  PHE  14           HD1      PHE  14  -7.622  25.732  24.107
   99    HD2  PHE  14           HD2      PHE  14  -6.421  22.685  21.326
  100    HE1  PHE  14           HE1      PHE  14  -7.174  24.186  25.994
  101    HE2  PHE  14           HE2      PHE  14  -5.974  21.141  23.212
  102    HZ   PHE  14           HZ       PHE  14  -6.350  21.890  25.547
  103    H    MET  15           H        MET  15 -10.195  27.701  21.293
  104    HA   MET  15           HA       MET  15  -9.274  28.639  18.660
  105   1HB   MET  15          1HB       MET  15 -11.838  28.942  20.258
  106   2HB   MET  15          2HB       MET  15 -11.638  29.477  18.590
  107   1HG   MET  15          1HG       MET  15 -11.094  27.176  17.911
  108   2HG   MET  15          2HG       MET  15 -11.266  26.638  19.578
  109   1HE   MET  15          1HE       MET  15 -12.785  28.488  16.700
  110   2HE   MET  15          2HE       MET  15 -14.534  28.368  16.873
  111   3HE   MET  15          3HE       MET  15 -13.624  29.443  17.932
  112    H    LYS  16           H        LYS  16  -7.615  30.155  19.304
  113    HA   LYS  16           HA       LYS  16  -8.233  32.379  21.107
  114   1HB   LYS  16          1HB       LYS  16  -5.987  31.351  20.843
  115   2HB   LYS  16          2HB       LYS  16  -5.951  31.886  19.163
  116   1HG   LYS  16          1HG       LYS  16  -6.312  34.254  20.057
  117   2HG   LYS  16          2HG       LYS  16  -5.969  33.598  21.658
  118   1HD   LYS  16          1HD       LYS  16  -3.787  32.751  20.814
  119   2HD   LYS  16          2HD       LYS  16  -4.128  33.489  19.249
  120   1HE   LYS  16          1HE       LYS  16  -4.071  35.703  20.178
  121   2HE   LYS  16          2HE       LYS  16  -4.087  35.075  21.837
  122   1HZ   LYS  16          1HZ       LYS  16  -2.009  34.100  20.015
  123   2HZ   LYS  16          2HZ       LYS  16  -1.836  35.678  20.612
  124   3HZ   LYS  16          3HZ       LYS  16  -1.937  34.371  21.691
  125    H    ASN  17           H        ASN  17  -9.838  33.733  20.270
  126    HA   ASN  17           HA       ASN  17 -10.835  35.310  18.816
  127   1HB   ASN  17          1HB       ASN  17  -8.414  36.118  19.221
  128   2HB   ASN  17          2HB       ASN  17  -8.063  35.480  17.614
  129   2HD2  ASN  17          2HD2      ASN  17  -8.818  38.325  19.108
  130   1HD2  ASN  17          1HD2      ASN  17  -9.654  39.104  17.854
  131    H    GLY  18           H        GLY  18 -11.520  32.892  17.948
  132   1HA   GLY  18          1HA       GLY  18 -11.795  33.151  15.114
  133   2HA   GLY  18          2HA       GLY  18 -12.181  31.699  16.038
  134    H    LYS  19           H        LYS  19  -9.303  31.788  17.097
  135    HA   LYS  19           HA       LYS  19  -8.013  30.614  14.655
  136   1HB   LYS  19          1HB       LYS  19  -7.255  32.908  15.623
  137   2HB   LYS  19          2HB       LYS  19  -6.563  31.954  16.934
  138   1HG   LYS  19          1HG       LYS  19  -5.990  31.392  14.014
  139   2HG   LYS  19          2HG       LYS  19  -4.986  32.459  14.994
  140   1HD   LYS  19          1HD       LYS  19  -4.668  30.580  16.620
  141   2HD   LYS  19          2HD       LYS  19  -5.555  29.527  15.517
  142   1HE   LYS  19          1HE       LYS  19  -3.877  29.882  13.767
  143   2HE   LYS  19          2HE       LYS  19  -3.014  31.038  14.801
  144   1HZ   LYS  19          1HZ       LYS  19  -3.672  28.431  15.947
  145   2HZ   LYS  19          2HZ       LYS  19  -2.432  28.459  14.787
  146   3HZ   LYS  19          3HZ       LYS  19  -2.301  29.403  16.191
  147    H    LEU  20           H        LEU  20  -8.500  28.434  15.229
  148    HA   LEU  20           HA       LEU  20  -8.083  27.375  17.900
  149   1HB   LEU  20          1HB       LEU  20  -9.663  26.265  16.550
  150   2HB   LEU  20          2HB       LEU  20  -8.620  26.313  15.131
  151    HG   LEU  20           HG       LEU  20  -7.127  24.656  16.128
  152   1HD1  LEU  20          1HD1      LEU  20  -7.441  25.398  18.486
  153   2HD1  LEU  20          2HD1      LEU  20  -9.048  24.671  18.474
  154   3HD1  LEU  20          3HD1      LEU  20  -7.619  23.652  18.303
  155   1HD2  LEU  20          1HD2      LEU  20 -10.072  23.954  16.220
  156   2HD2  LEU  20          2HD2      LEU  20  -8.949  23.705  14.881
  157   3HD2  LEU  20          3HD2      LEU  20  -8.791  22.748  16.354
  158    H    PHE  21           H        PHE  21  -5.981  27.372  18.694
  159    HA   PHE  21           HA       PHE  21  -3.751  26.733  16.831
  160   1HB   PHE  21          1HB       PHE  21  -2.377  27.406  18.870
  161   2HB   PHE  21          2HB       PHE  21  -3.405  28.671  18.204
  162    HD1  PHE  21           HD1      PHE  21  -2.911  26.332  21.014
  163    HD2  PHE  21           HD2      PHE  21  -5.386  29.452  19.399
  164    HE1  PHE  21           HE1      PHE  21  -4.016  26.597  23.216
  165    HE2  PHE  21           HE2      PHE  21  -6.481  29.722  21.608
  166    HZ   PHE  21           HZ       PHE  21  -5.798  28.293  23.514
  167    H    CYS  22           H        CYS  22  -4.582  24.458  16.701
  168    HA   CYS  22           HA       CYS  22  -4.722  22.652  18.875
  169   1HB   CYS  22          1HB       CYS  22  -5.047  22.617  16.152
  170   2HB   CYS  22          2HB       CYS  22  -3.597  21.632  16.347
  171    HA   PRO  23           HA       PRO  23  -0.060  21.628  17.954
  172   1HB   PRO  23          1HB       PRO  23   1.133  24.047  16.948
  173   2HB   PRO  23          2HB       PRO  23   1.011  22.476  16.152
  174   1HG   PRO  23          1HG       PRO  23  -0.409  24.871  15.506
  175   2HG   PRO  23          2HG       PRO  23  -0.582  23.282  14.757
  176   1HD   PRO  23          1HD       PRO  23  -2.415  24.639  16.546
  177   2HD   PRO  23          2HD       PRO  23  -2.645  23.086  15.711
  178    H    GLN  24           H        GLN  24  -0.480  21.929  20.299
  179    HA   GLN  24           HA       GLN  24   0.886  24.365  21.400
  180   1HB   GLN  24          1HB       GLN  24  -1.443  24.526  21.895
  181   2HB   GLN  24          2HB       GLN  24  -1.553  22.808  22.278
  182   1HG   GLN  24          1HG       GLN  24   0.016  23.218  24.209
  183   2HG   GLN  24          2HG       GLN  24  -0.108  24.943  23.874
  184   2HE2  GLN  24          2HE2      GLN  24  -2.122  22.079  24.684
  185   1HE2  GLN  24          1HE2      GLN  24  -3.350  22.966  25.449
  186    H    ASP  25           H        ASP  25  -0.286  21.423  22.987
  187    HA   ASP  25           HA       ASP  25   2.551  20.690  23.627
  188   1HB   ASP  25          1HB       ASP  25   1.095  21.899  25.408
  189   2HB   ASP  25          2HB       ASP  25   0.213  20.375  25.512
  190    H    LYS  26           H        LYS  26   2.032  19.214  21.685
  191    HA   LYS  26           HA       LYS  26   0.063  17.135  21.869
  192   1HB   LYS  26          1HB       LYS  26   2.449  17.850  20.260
  193   2HB   LYS  26          2HB       LYS  26   2.005  16.143  20.242
  194   1HG   LYS  26          1HG       LYS  26  -0.230  16.659  19.483
  195   2HG   LYS  26          2HG       LYS  26   0.037  18.387  19.713
  196   1HD   LYS  26          1HD       LYS  26   2.113  17.794  18.061
  197   2HD   LYS  26          2HD       LYS  26   0.924  16.613  17.509
  198   1HE   LYS  26          1HE       LYS  26  -0.724  18.675  17.547
  199   2HE   LYS  26          2HE       LYS  26   0.776  19.618  17.450
  200   1HZ   LYS  26          1HZ       LYS  26   1.446  18.052  15.621
  201   2HZ   LYS  26          2HZ       LYS  26  -0.153  17.475  15.614
  202   3HZ   LYS  26          3HZ       LYS  26   0.164  19.097  15.231
  203    H    LYS  27           H        LYS  27   2.843  17.604  23.736
  204    HA   LYS  27           HA       LYS  27   4.166  15.205  24.043
  205   1HB   LYS  27          1HB       LYS  27   3.116  17.262  25.977
  206   2HB   LYS  27          2HB       LYS  27   4.024  15.874  26.573
  207   1HG   LYS  27          1HG       LYS  27   5.908  16.446  25.112
  208   2HG   LYS  27          2HG       LYS  27   4.997  17.797  24.438
  209   1HD   LYS  27          1HD       LYS  27   4.822  18.704  26.811
  210   2HD   LYS  27          2HD       LYS  27   5.999  17.475  27.277
  211   1HE   LYS  27          1HE       LYS  27   7.210  19.537  26.789
  212   2HE   LYS  27          2HE       LYS  27   7.531  18.398  25.467
  213   1HZ   LYS  27          1HZ       LYS  27   5.152  20.115  25.311
  214   2HZ   LYS  27          2HZ       LYS  27   6.663  20.815  24.972
  215   3HZ   LYS  27          3HZ       LYS  27   6.117  19.495  24.057
  216    H    PHE  28           H        PHE  28   0.808  15.857  24.828
  217    HA   PHE  28           HA       PHE  28   0.166  13.765  26.602
  218   1HB   PHE  28          1HB       PHE  28  -1.434  14.749  24.218
  219   2HB   PHE  28          2HB       PHE  28  -2.078  14.070  25.712
  220    HD1  PHE  28           HD1      PHE  28  -0.681  15.315  27.853
  221    HD2  PHE  28           HD2      PHE  28  -1.871  17.040  24.104
  222    HE1  PHE  28           HE1      PHE  28  -0.676  17.568  28.889
  223    HE2  PHE  28           HE2      PHE  28  -1.869  19.292  25.141
  224    HZ   PHE  28           HZ       PHE  28  -1.271  19.558  27.531
  225    H    PHE  29           H        PHE  29   1.187  13.588  23.295
  226    HA   PHE  29           HA       PHE  29   0.004  11.196  22.377
  227   1HB   PHE  29          1HB       PHE  29   1.318  12.672  20.978
  228   2HB   PHE  29          2HB       PHE  29   2.744  12.436  21.986
  229    HD1  PHE  29           HD1      PHE  29   3.552   9.939  22.255
  230    HD2  PHE  29           HD2      PHE  29   1.043  11.354  19.067
  231    HE1  PHE  29           HE1      PHE  29   4.209   7.989  20.870
  232    HE2  PHE  29           HE2      PHE  29   1.703   9.405  17.683
  233    HZ   PHE  29           HZ       PHE  29   3.285   7.722  18.585
  234    H    GLN  30           H        GLN  30   2.321  11.656  24.913
  235    HA   GLN  30           HA       GLN  30   3.688   9.145  24.852
  236   1HB   GLN  30          1HB       GLN  30   2.982  11.173  26.975
  237   2HB   GLN  30          2HB       GLN  30   3.927   9.735  27.360
  238   1HG   GLN  30          1HG       GLN  30   5.333  10.504  25.242
  239   2HG   GLN  30          2HG       GLN  30   4.653  12.081  25.646
  240   2HE2  GLN  30          2HE2      GLN  30   6.039  13.235  26.983
  241   1HE2  GLN  30          1HE2      GLN  30   7.024  12.560  28.189
  242    H    SER  31           H        SER  31   0.400   9.846  25.553
  243    HA   SER  31           HA       SER  31   0.090   7.108  26.738
  244   1HB   SER  31          1HB       SER  31  -0.082   8.656  28.552
  245   2HB   SER  31          2HB       SER  31  -1.061   9.770  27.598
  246    HG   SER  31           HG       SER  31  -2.687   8.753  28.420
  247    H    LEU  32           H        LEU  32  -1.958   6.094  26.247
  248    HA   LEU  32           HA       LEU  32  -3.000   6.551  23.631
  249   1HB   LEU  32          1HB       LEU  32  -3.064   4.531  25.332
  250   2HB   LEU  32          2HB       LEU  32  -4.590   5.265  25.828
  251    HG   LEU  32           HG       LEU  32  -3.842   4.382  23.029
  252   1HD1  LEU  32          1HD1      LEU  32  -5.815   3.369  25.091
  253   2HD1  LEU  32          2HD1      LEU  32  -5.855   2.883  23.396
  254   3HD1  LEU  32          3HD1      LEU  32  -4.452   2.494  24.392
  255   1HD2  LEU  32          1HD2      LEU  32  -6.030   6.099  24.114
  256   2HD2  LEU  32          2HD2      LEU  32  -5.214   6.176  22.552
  257   3HD2  LEU  32          3HD2      LEU  32  -6.449   4.951  22.843
  258    H    ASP  33           H        ASP  33  -3.987   7.726  26.802
  259    HA   ASP  33           HA       ASP  33  -6.474   8.920  25.794
  260   1HB   ASP  33          1HB       ASP  33  -4.934   9.046  28.408
  261   2HB   ASP  33          2HB       ASP  33  -6.503   9.813  28.165
  262    H    GLY  34           H        GLY  34  -3.230  10.034  26.767
  263   1HA   GLY  34          1HA       GLY  34  -2.225  12.150  26.521
  264   2HA   GLY  34          2HA       GLY  34  -3.837  12.833  26.299
  265    H    ILE  35           H        ILE  35  -2.551  10.166  24.395
  266    HA   ILE  35           HA       ILE  35  -1.739  11.805  22.133
  267    HB   ILE  35           HB       ILE  35  -1.022   9.420  22.865
  268   1HG1  ILE  35          1HG1      ILE  35  -1.566  10.442  20.107
  269   2HG1  ILE  35          2HG1      ILE  35  -0.027  10.095  20.886
  270   1HG2  ILE  35          1HG2      ILE  35  -3.552   8.784  21.320
  271   2HG2  ILE  35          2HG2      ILE  35  -2.351   7.603  21.844
  272   3HG2  ILE  35          3HG2      ILE  35  -3.291   8.494  23.038
  273   1HD1  ILE  35          1HD1      ILE  35  -0.548   7.650  20.715
  274   2HD1  ILE  35          2HD1      ILE  35  -2.000   8.066  19.803
  275   3HD1  ILE  35          3HD1      ILE  35  -0.407   8.442  19.145
  276    H    MET  36           H        MET  36  -4.586   9.859  22.965
  277    HA   MET  36           HA       MET  36  -6.112   9.855  20.674
  278   1HB   MET  36          1HB       MET  36  -6.613  10.145  23.577
  279   2HB   MET  36          2HB       MET  36  -7.956  10.624  22.536
  280   1HG   MET  36          1HG       MET  36  -8.026   8.474  21.487
  281   2HG   MET  36          2HG       MET  36  -6.485   8.001  22.200
  282   1HE   MET  36          1HE       MET  36  -9.843   9.631  23.297
  283   2HE   MET  36          2HE       MET  36 -10.247   8.119  22.470
  284   3HE   MET  36          3HE       MET  36 -10.595   8.309  24.188
  285    H    PHE  37           H        PHE  37  -5.608  12.663  22.824
  286    HA   PHE  37           HA       PHE  37  -7.376  14.494  21.646
  287   1HB   PHE  37          1HB       PHE  37  -6.320  15.843  23.133
  288   2HB   PHE  37          2HB       PHE  37  -5.290  14.468  23.511
  289    HD1  PHE  37           HD1      PHE  37  -3.172  14.136  22.062
  290    HD2  PHE  37           HD2      PHE  37  -5.407  17.797  22.201
  291    HE1  PHE  37           HE1      PHE  37  -1.206  15.367  21.194
  292    HE2  PHE  37           HE2      PHE  37  -3.441  19.029  21.329
  293    HZ   PHE  37           HZ       PHE  37  -1.346  17.807  20.823
  294    H    ILE  38           H        ILE  38  -4.104  13.546  20.549
  295    HA   ILE  38           HA       ILE  38  -3.791  15.333  18.385
  296    HB   ILE  38           HB       ILE  38  -3.063  12.397  18.666
  297   1HG1  ILE  38          1HG1      ILE  38  -1.585  14.960  19.325
  298   2HG1  ILE  38          2HG1      ILE  38  -2.138  13.735  20.466
  299   1HG2  ILE  38          1HG2      ILE  38  -2.671  14.329  16.508
  300   2HG2  ILE  38          2HG2      ILE  38  -1.145  13.676  17.105
  301   3HG2  ILE  38          3HG2      ILE  38  -2.399  12.585  16.513
  302   1HD1  ILE  38          1HD1      ILE  38  -0.432  12.693  18.294
  303   2HD1  ILE  38          2HD1      ILE  38   0.379  13.813  19.387
  304   3HD1  ILE  38          3HD1      ILE  38  -0.385  12.357  20.024
  305    H    ASN  39           H        ASN  39  -5.414  12.165  18.486
  306    HA   ASN  39           HA       ASN  39  -6.228  12.030  15.766
  307   1HB   ASN  39          1HB       ASN  39  -7.433  11.000  18.351
  308   2HB   ASN  39          2HB       ASN  39  -7.985  10.491  16.755
  309   2HD2  ASN  39          2HD2      ASN  39  -6.541   8.908  18.922
  310   1HD2  ASN  39          1HD2      ASN  39  -5.169   8.275  18.151
  311    H    LYS  40           H        LYS  40  -7.648  13.679  18.548
  312    HA   LYS  40           HA       LYS  40 -10.026  14.509  16.992
  313   1HB   LYS  40          1HB       LYS  40  -9.032  14.896  19.829
  314   2HB   LYS  40          2HB       LYS  40 -10.523  15.630  19.237
  315   1HG   LYS  40          1HG       LYS  40 -11.417  13.415  18.673
  316   2HG   LYS  40          2HG       LYS  40  -9.910  12.658  19.192
  317   1HD   LYS  40          1HD       LYS  40 -10.383  13.927  21.448
  318   2HD   LYS  40          2HD       LYS  40 -12.044  13.966  20.855
  319   1HE   LYS  40          1HE       LYS  40 -11.579  11.383  20.387
  320   2HE   LYS  40          2HE       LYS  40 -10.380  11.610  21.673
  321   1HZ   LYS  40          1HZ       LYS  40 -13.078  12.758  21.969
  322   2HZ   LYS  40          2HZ       LYS  40 -12.847  11.106  22.288
  323   3HZ   LYS  40          3HZ       LYS  40 -11.984  12.268  23.173
  324    H    CYS  41           H        CYS  41  -6.926  15.756  18.018
  325    HA   CYS  41           HA       CYS  41  -7.263  18.534  17.967
  326   1HB   CYS  41          1HB       CYS  41  -5.161  17.544  18.528
  327   2HB   CYS  41          2HB       CYS  41  -5.077  16.680  16.993
  328    H    ALA  42           H        ALA  42  -5.858  16.892  15.144
  329    HA   ALA  42           HA       ALA  42  -6.444  18.872  13.239
  330   1HB   ALA  42          1HB       ALA  42  -5.204  16.443  13.312
  331   2HB   ALA  42          2HB       ALA  42  -5.538  17.320  11.820
  332   3HB   ALA  42          3HB       ALA  42  -6.635  16.048  12.359
  333    H    THR  43           H        THR  43  -8.460  16.142  14.311
  334    HA   THR  43           HA       THR  43 -10.563  16.432  12.401
  335    HB   THR  43           HB       THR  43 -10.800  15.557  15.293
  336    HG1  THR  43           HG1      THR  43  -9.925  13.641  14.680
  337   1HG2  THR  43          1HG2      THR  43 -12.443  15.375  12.883
  338   2HG2  THR  43          2HG2      THR  43 -12.151  13.800  13.621
  339   3HG2  THR  43          3HG2      THR  43 -12.887  15.094  14.567
  340    H    CYS  44           H        CYS  44 -10.527  17.533  15.821
  341    HA   CYS  44           HA       CYS  44 -12.848  19.041  15.901
  342   1HB   CYS  44          1HB       CYS  44 -10.086  19.654  17.000
  343   2HB   CYS  44          2HB       CYS  44 -11.557  20.464  17.538
  344    H    LYS  45           H        LYS  45  -9.695  20.078  14.583
  345    HA   LYS  45           HA       LYS  45 -10.274  22.755  13.953
  346   1HB   LYS  45          1HB       LYS  45  -8.078  21.754  13.707
  347   2HB   LYS  45          2HB       LYS  45  -8.680  20.628  12.492
  348   1HG   LYS  45          1HG       LYS  45  -9.420  22.959  11.341
  349   2HG   LYS  45          2HG       LYS  45  -8.003  23.512  12.234
  350   1HD   LYS  45          1HD       LYS  45  -6.655  21.718  11.202
  351   2HD   LYS  45          2HD       LYS  45  -8.073  21.167  10.310
  352   1HE   LYS  45          1HE       LYS  45  -8.144  23.155   8.992
  353   2HE   LYS  45          2HE       LYS  45  -7.039  24.008  10.086
  354   1HZ   LYS  45          1HZ       LYS  45  -6.314  21.511   8.649
  355   2HZ   LYS  45          2HZ       LYS  45  -5.971  23.057   8.039
  356   3HZ   LYS  45          3HZ       LYS  45  -5.277  22.550   9.504
  357    H    MET  46           H        MET  46 -10.966  19.829  12.002
  358    HA   MET  46           HA       MET  46 -12.205  21.315   9.842
  359   1HB   MET  46          1HB       MET  46 -12.666  19.126   8.979
  360   2HB   MET  46          2HB       MET  46 -11.119  19.006   9.810
  361   1HG   MET  46          1HG       MET  46 -11.940  17.437  11.192
  362   2HG   MET  46          2HG       MET  46 -13.249  18.504  11.682
  363   1HE   MET  46          1HE       MET  46 -11.723  16.332   9.273
  364   2HE   MET  46          2HE       MET  46 -12.963  15.175   8.766
  365   3HE   MET  46          3HE       MET  46 -12.719  16.666   7.859
  366    H    ILE  47           H        ILE  47 -13.295  20.081  12.910
  367    HA   ILE  47           HA       ILE  47 -16.098  19.853  12.412
  368    HB   ILE  47           HB       ILE  47 -14.580  20.726  14.897
  369   1HG1  ILE  47          1HG1      ILE  47 -13.809  18.571  13.901
  370   2HG1  ILE  47          2HG1      ILE  47 -14.574  18.351  15.476
  371   1HG2  ILE  47          1HG2      ILE  47 -17.350  19.555  14.508
  372   2HG2  ILE  47          2HG2      ILE  47 -16.557  19.733  16.074
  373   3HG2  ILE  47          3HG2      ILE  47 -16.964  21.162  15.123
  374   1HD1  ILE  47          1HD1      ILE  47 -16.618  18.252  13.480
  375   2HD1  ILE  47          2HD1      ILE  47 -16.079  16.958  14.550
  376   3HD1  ILE  47          3HD1      ILE  47 -15.314  17.178  12.975
  377    H    LEU  48           H        LEU  48 -14.065  22.630  13.323
  378    HA   LEU  48           HA       LEU  48 -16.212  24.526  13.638
  379   1HB   LEU  48          1HB       LEU  48 -13.247  24.665  13.049
  380   2HB   LEU  48          2HB       LEU  48 -14.224  26.125  13.204
  381    HG   LEU  48           HG       LEU  48 -13.280  25.684  15.368
  382   1HD1  LEU  48          1HD1      LEU  48 -15.964  25.933  14.946
  383   2HD1  LEU  48          2HD1      LEU  48 -15.914  24.452  15.901
  384   3HD1  LEU  48          3HD1      LEU  48 -15.216  25.939  16.542
  385   1HD2  LEU  48          1HD2      LEU  48 -12.789  23.255  14.846
  386   2HD2  LEU  48          2HD2      LEU  48 -13.402  23.548  16.473
  387   3HD2  LEU  48          3HD2      LEU  48 -14.474  22.905  15.230
  388    H    GLU  49           H        GLU  49 -14.158  23.571  10.895
  389    HA   GLU  49           HA       GLU  49 -15.043  25.514   9.006
  390   1HB   GLU  49          1HB       GLU  49 -14.164  22.626   8.669
  391   2HB   GLU  49          2HB       GLU  49 -14.209  23.824   7.376
  392   1HG   GLU  49          1HG       GLU  49 -12.670  25.257   8.808
  393   2HG   GLU  49          2HG       GLU  49 -12.479  23.854   9.860
  394    H    LYS  50           H        LYS  50 -16.587  22.646  10.271
  395    HA   LYS  50           HA       LYS  50 -18.473  22.166   8.157
  396   1HB   LYS  50          1HB       LYS  50 -18.497  21.664  11.150
  397   2HB   LYS  50          2HB       LYS  50 -19.685  20.988  10.037
  398   1HG   LYS  50          1HG       LYS  50 -17.594  20.131   8.721
  399   2HG   LYS  50          2HG       LYS  50 -16.739  20.404  10.239
  400   1HD   LYS  50          1HD       LYS  50 -18.498  19.004  11.387
  401   2HD   LYS  50          2HD       LYS  50 -19.140  18.609   9.792
  402   1HE   LYS  50          1HE       LYS  50 -16.236  18.139  10.537
  403   2HE   LYS  50          2HE       LYS  50 -17.493  16.903  10.732
  404   1HZ   LYS  50          1HZ       LYS  50 -18.115  17.435   8.354
  405   2HZ   LYS  50          2HZ       LYS  50 -16.648  18.279   8.241
  406   3HZ   LYS  50          3HZ       LYS  50 -16.644  16.610   8.563
  407    H    GLU  51           H        GLU  51 -18.587  24.215  11.071
  408    HA   GLU  51           HA       GLU  51 -21.284  25.017  11.027
  409   1HB   GLU  51          1HB       GLU  51 -18.756  26.570  11.669
  410   2HB   GLU  51          2HB       GLU  51 -20.379  27.053  12.164
  411   1HG   GLU  51          1HG       GLU  51 -19.070  24.413  12.889
  412   2HG   GLU  51          2HG       GLU  51 -19.158  25.814  13.957
  413    H    ALA  52           H        ALA  52 -18.667  25.899   8.870
  414    HA   ALA  52           HA       ALA  52 -20.006  28.245   7.749
  415   1HB   ALA  52          1HB       ALA  52 -17.562  27.984   7.826
  416   2HB   ALA  52          2HB       ALA  52 -18.101  28.100   6.151
  417   3HB   ALA  52          3HB       ALA  52 -17.673  26.530   6.833
  418    H    LYS  53           H        LYS  53 -21.240  28.307   5.854
  419    HA   LYS  53           HA       LYS  53 -22.684  26.004   5.011
  420   1HB   LYS  53          1HB       LYS  53 -22.082  28.621   3.593
  421   2HB   LYS  53          2HB       LYS  53 -23.397  27.522   3.177
  422   1HG   LYS  53          1HG       LYS  53 -23.049  28.827   5.893
  423   2HG   LYS  53          2HG       LYS  53 -24.135  29.417   4.637
  424   1HD   LYS  53          1HD       LYS  53 -25.338  27.263   4.660
  425   2HD   LYS  53          2HD       LYS  53 -24.248  26.666   5.912
  426   1HE   LYS  53          1HE       LYS  53 -25.005  28.477   7.430
  427   2HE   LYS  53          2HE       LYS  53 -26.118  29.052   6.173
  428   1HZ   LYS  53          1HZ       LYS  53 -26.138  26.200   6.861
  429   2HZ   LYS  53          2HZ       LYS  53 -26.875  27.274   7.946
  430   3HZ   LYS  53          3HZ       LYS  53 -27.414  27.192   6.337
  431    H    SER  54           H        SER  54 -19.492  27.041   4.229
  432    HA   SER  54           HA       SER  54 -19.259  25.939   1.573
  433   1HB   SER  54          1HB       SER  54 -16.887  26.275   1.976
  434   2HB   SER  54          2HB       SER  54 -17.761  27.614   2.720
  435    HG   SER  54           HG       SER  54 -16.199  25.735   3.866
  436    H    GLN  55           H        GLN  55 -19.241  24.530   4.766
  437    HA   GLN  55           HA       GLN  55 -19.325  21.832   3.739
  438   1HB   GLN  55          1HB       GLN  55 -16.945  22.483   3.317
  439   2HB   GLN  55          2HB       GLN  55 -16.745  22.754   5.047
  440   1HG   GLN  55          1HG       GLN  55 -17.199  20.430   5.531
  441   2HG   GLN  55          2HG       GLN  55 -17.652  20.120   3.854
  442   2HE2  GLN  55          2HE2      GLN  55 -15.240  19.312   5.800
  443   1HE2  GLN  55          1HE2      GLN  55 -13.899  19.462   4.769

  No H/Q in entry =         443
  Start of MODEL   20
    1    H1   LYS   1           H1       LYS   1 -24.108  22.163   9.722
    2    H2   LYS   1           H2       LYS   1 -22.569  21.707   9.166
    3    H3   LYS   1           H3       LYS   1 -23.758  22.198   8.060
    4    HA   LYS   1           HA       LYS   1 -24.880  20.219   8.138
    5   1HB   LYS   1          1HB       LYS   1 -22.005  19.645   8.929
    6   2HB   LYS   1          2HB       LYS   1 -23.095  18.470   8.193
    7   1HG   LYS   1          1HG       LYS   1 -23.365  19.995   6.239
    8   2HG   LYS   1          2HG       LYS   1 -22.191  21.092   6.965
    9   1HD   LYS   1          1HD       LYS   1 -20.482  19.326   6.912
   10   2HD   LYS   1          2HD       LYS   1 -21.654  18.197   6.232
   11   1HE   LYS   1          1HE       LYS   1 -21.866  19.563   4.214
   12   2HE   LYS   1          2HE       LYS   1 -20.800  20.799   4.909
   13   1HZ   LYS   1          1HZ       LYS   1 -19.167  18.900   5.240
   14   2HZ   LYS   1          2HZ       LYS   1 -20.139  18.002   4.179
   15   3HZ   LYS   1          3HZ       LYS   1 -19.392  19.430   3.641
   16    H    ASN   2           H        ASN   2 -22.699  20.230  10.991
   17    HA   ASN   2           HA       ASN   2 -24.602  18.482  12.449
   18   1HB   ASN   2          1HB       ASN   2 -21.833  19.585  13.012
   19   2HB   ASN   2          2HB       ASN   2 -22.703  18.522  14.118
   20   2HD2  ASN   2          2HD2      ASN   2 -23.892  16.724  12.269
   21   1HD2  ASN   2          1HD2      ASN   2 -22.667  15.863  11.469
   22    H    GLU   3           H        GLU   3 -25.938  19.260  14.057
   23    HA   GLU   3           HA       GLU   3 -26.316  22.103  14.405
   24   1HB   GLU   3          1HB       GLU   3 -27.287  19.631  15.867
   25   2HB   GLU   3          2HB       GLU   3 -27.894  21.253  16.198
   26   1HG   GLU   3          1HG       GLU   3 -28.606  21.473  13.848
   27   2HG   GLU   3          2HG       GLU   3 -27.983  19.859  13.504
   28    H    ASP   4           H        ASP   4 -24.391  19.689  16.059
   29    HA   ASP   4           HA       ASP   4 -24.022  21.189  18.523
   30   1HB   ASP   4          1HB       ASP   4 -23.804  18.709  18.216
   31   2HB   ASP   4          2HB       ASP   4 -22.355  18.994  17.252
   32    H    GLN   5           H        GLN   5 -22.472  21.130  15.380
   33    HA   GLN   5           HA       GLN   5 -20.732  22.454  14.485
   34   1HB   GLN   5          1HB       GLN   5 -21.481  24.068  16.948
   35   2HB   GLN   5          2HB       GLN   5 -20.492  24.669  15.618
   36   1HG   GLN   5          1HG       GLN   5 -22.432  24.061  14.075
   37   2HG   GLN   5          2HG       GLN   5 -23.396  23.821  15.533
   38   2HE2  GLN   5          2HE2      GLN   5 -24.122  25.868  13.719
   39   1HE2  GLN   5          1HE2      GLN   5 -23.810  27.378  14.429
   40    H    GLU   6           H        GLU   6 -20.011  23.347  17.824
   41    HA   GLU   6           HA       GLU   6 -17.257  22.497  17.606
   42   1HB   GLU   6          1HB       GLU   6 -19.062  23.253  19.928
   43   2HB   GLU   6          2HB       GLU   6 -17.319  23.024  20.080
   44   1HG   GLU   6          1HG       GLU   6 -16.836  24.882  18.709
   45   2HG   GLU   6          2HG       GLU   6 -18.459  24.908  18.019
   46    H    MET   7           H        MET   7 -18.368  20.244  16.811
   47    HA   MET   7           HA       MET   7 -19.509  18.314  18.372
   48   1HB   MET   7          1HB       MET   7 -17.109  18.161  16.529
   49   2HB   MET   7          2HB       MET   7 -17.944  16.728  17.130
   50   1HG   MET   7          1HG       MET   7 -20.088  17.719  16.203
   51   2HG   MET   7          2HG       MET   7 -19.096  18.948  15.420
   52   1HE   MET   7          1HE       MET   7 -20.123  15.358  15.796
   53   2HE   MET   7          2HE       MET   7 -19.193  14.437  14.617
   54   3HE   MET   7          3HE       MET   7 -18.408  15.071  16.070
   55    H    CYS   8           H        CYS   8 -16.100  19.342  18.575
   56    HA   CYS   8           HA       CYS   8 -15.633  17.506  20.861
   57   1HB   CYS   8          1HB       CYS   8 -13.879  19.416  19.281
   58   2HB   CYS   8          2HB       CYS   8 -13.290  18.340  20.549
   59    H    HIS   9           H        HIS   9 -15.326  18.256  22.970
   60    HA   HIS   9           HA       HIS   9 -15.832  21.176  23.422
   61   1HB   HIS   9          1HB       HIS   9 -16.870  20.476  25.482
   62   2HB   HIS   9          2HB       HIS   9 -17.467  19.395  24.224
   63    HD1  HIS   9           HD1      HIS   9 -15.028  19.506  27.108
   64    HD2  HIS   9           HD2      HIS   9 -16.697  16.701  24.515
   65    HE1  HIS   9           HE1      HIS   9 -14.370  17.228  27.998
   66    H    GLU  10           H        GLU  10 -13.499  18.679  23.705
   67    HA   GLU  10           HA       GLU  10 -12.063  19.732  26.018
   68   1HB   GLU  10          1HB       GLU  10 -11.412  17.783  23.787
   69   2HB   GLU  10          2HB       GLU  10 -10.337  18.088  25.152
   70   1HG   GLU  10          1HG       GLU  10 -11.935  17.252  26.719
   71   2HG   GLU  10          2HG       GLU  10 -13.226  17.264  25.517
   72    H    PHE  11           H        PHE  11 -11.569  19.837  22.473
   73    HA   PHE  11           HA       PHE  11  -9.211  21.543  22.669
   74   1HB   PHE  11          1HB       PHE  11 -11.045  20.543  20.497
   75   2HB   PHE  11          2HB       PHE  11  -9.769  21.702  20.134
   76    HD1  PHE  11           HD1      PHE  11  -7.396  21.104  20.427
   77    HD2  PHE  11           HD2      PHE  11 -10.527  18.248  21.117
   78    HE1  PHE  11           HE1      PHE  11  -5.734  19.270  20.365
   79    HE2  PHE  11           HE2      PHE  11  -8.863  16.414  21.052
   80    HZ   PHE  11           HZ       PHE  11  -6.467  16.927  20.678
   81    H    GLN  12           H        GLN  12 -12.629  22.087  22.702
   82    HA   GLN  12           HA       GLN  12 -13.005  24.545  21.449
   83   1HB   GLN  12          1HB       GLN  12 -14.627  23.074  22.766
   84   2HB   GLN  12          2HB       GLN  12 -14.012  23.854  24.224
   85   1HG   GLN  12          1HG       GLN  12 -14.560  26.082  23.080
   86   2HG   GLN  12          2HG       GLN  12 -15.465  25.135  21.900
   87   2HE2  GLN  12          2HE2      GLN  12 -17.356  26.447  22.892
   88   1HE2  GLN  12          1HE2      GLN  12 -18.099  25.810  24.278
   89    H    ALA  13           H        ALA  13 -11.457  23.916  24.586
   90    HA   ALA  13           HA       ALA  13 -11.132  26.697  25.320
   91   1HB   ALA  13          1HB       ALA  13  -9.285  25.472  26.776
   92   2HB   ALA  13          2HB       ALA  13 -10.996  25.184  27.092
   93   3HB   ALA  13          3HB       ALA  13 -10.064  24.017  26.154
   94    H    PHE  14           H        PHE  14  -9.552  24.656  23.044
   95    HA   PHE  14           HA       PHE  14  -6.986  26.112  23.106
   96   1HB   PHE  14          1HB       PHE  14  -8.202  23.931  21.388
   97   2HB   PHE  14          2HB       PHE  14  -6.573  24.551  21.146
   98    HD1  PHE  14           HD1      PHE  14  -7.360  24.766  24.588
   99    HD2  PHE  14           HD2      PHE  14  -6.206  21.950  21.557
  100    HE1  PHE  14           HE1      PHE  14  -6.523  23.222  26.339
  101    HE2  PHE  14           HE2      PHE  14  -5.373  20.408  23.304
  102    HZ   PHE  14           HZ       PHE  14  -5.529  21.043  25.698
  103    H    MET  15           H        MET  15  -9.810  27.245  22.261
  104    HA   MET  15           HA       MET  15  -9.337  28.020  19.463
  105   1HB   MET  15          1HB       MET  15 -11.433  28.560  21.572
  106   2HB   MET  15          2HB       MET  15 -11.485  29.334  19.988
  107   1HG   MET  15          1HG       MET  15 -11.230  26.940  19.041
  108   2HG   MET  15          2HG       MET  15 -11.686  26.403  20.654
  109   1HE   MET  15          1HE       MET  15 -13.613  27.285  21.933
  110   2HE   MET  15          2HE       MET  15 -13.699  28.974  21.439
  111   3HE   MET  15          3HE       MET  15 -15.115  27.927  21.272
  112    H    LYS  16           H        LYS  16  -8.747  30.079  18.782
  113    HA   LYS  16           HA       LYS  16  -7.980  32.049  20.914
  114   1HB   LYS  16          1HB       LYS  16  -6.113  30.747  19.772
  115   2HB   LYS  16          2HB       LYS  16  -6.574  31.557  18.275
  116   1HG   LYS  16          1HG       LYS  16  -6.409  33.639  20.107
  117   2HG   LYS  16          2HG       LYS  16  -5.065  32.591  20.560
  118   1HD   LYS  16          1HD       LYS  16  -4.293  32.583  18.205
  119   2HD   LYS  16          2HD       LYS  16  -5.621  33.663  17.776
  120   1HE   LYS  16          1HE       LYS  16  -3.334  34.773  18.249
  121   2HE   LYS  16          2HE       LYS  16  -4.725  35.443  19.121
  122   1HZ   LYS  16          1HZ       LYS  16  -3.142  33.192  20.215
  123   2HZ   LYS  16          2HZ       LYS  16  -2.675  34.800  20.489
  124   3HZ   LYS  16          3HZ       LYS  16  -4.186  34.250  21.040
  125    H    ASN  17           H        ASN  17  -9.842  33.366  20.624
  126    HA   ASN  17           HA       ASN  17 -11.237  34.941  19.546
  127   1HB   ASN  17          1HB       ASN  17  -8.656  35.224  17.970
  128   2HB   ASN  17          2HB       ASN  17  -9.948  36.422  18.022
  129   2HD2  ASN  17          2HD2      ASN  17  -6.978  36.042  19.240
  130   1HD2  ASN  17          1HD2      ASN  17  -7.172  36.702  20.790
  131    H    GLY  18           H        GLY  18 -11.731  32.366  18.674
  132   1HA   GLY  18          1HA       GLY  18 -12.714  32.858  15.963
  133   2HA   GLY  18          2HA       GLY  18 -13.004  31.407  16.922
  134    H    LYS  19           H        LYS  19  -9.902  31.472  17.358
  135    HA   LYS  19           HA       LYS  19  -9.255  30.099  14.771
  136   1HB   LYS  19          1HB       LYS  19  -8.296  32.452  15.225
  137   2HB   LYS  19          2HB       LYS  19  -7.318  31.676  16.471
  138   1HG   LYS  19          1HG       LYS  19  -7.393  30.721  13.596
  139   2HG   LYS  19          2HG       LYS  19  -6.204  31.878  14.191
  140   1HD   LYS  19          1HD       LYS  19  -5.620  30.173  15.989
  141   2HD   LYS  19          2HD       LYS  19  -6.613  29.019  15.098
  142   1HE   LYS  19          1HE       LYS  19  -5.177  29.089  13.196
  143   2HE   LYS  19          2HE       LYS  19  -4.368  30.561  13.768
  144   1HZ   LYS  19          1HZ       LYS  19  -4.397  28.014  15.297
  145   2HZ   LYS  19          2HZ       LYS  19  -3.148  28.426  14.227
  146   3HZ   LYS  19          3HZ       LYS  19  -3.445  29.389  15.594
  147    H    LEU  20           H        LEU  20  -9.171  27.949  15.372
  148    HA   LEU  20           HA       LEU  20  -8.298  27.112  18.041
  149   1HB   LEU  20          1HB       LEU  20 -10.067  26.092  16.444
  150   2HB   LEU  20          2HB       LEU  20  -8.695  25.393  15.585
  151    HG   LEU  20           HG       LEU  20  -9.395  24.974  18.507
  152   1HD1  LEU  20          1HD1      LEU  20  -9.818  23.461  15.990
  153   2HD1  LEU  20          2HD1      LEU  20  -9.251  22.515  17.366
  154   3HD1  LEU  20          3HD1      LEU  20 -10.750  23.437  17.488
  155   1HD2  LEU  20          1HD2      LEU  20  -6.995  24.206  16.852
  156   2HD2  LEU  20          2HD2      LEU  20  -7.035  24.957  18.447
  157   3HD2  LEU  20          3HD2      LEU  20  -7.471  23.259  18.262
  158    H    PHE  21           H        PHE  21  -6.167  26.793  18.574
  159    HA   PHE  21           HA       PHE  21  -4.200  26.447  16.344
  160   1HB   PHE  21          1HB       PHE  21  -2.598  27.093  18.285
  161   2HB   PHE  21          2HB       PHE  21  -3.648  28.349  17.634
  162    HD1  PHE  21           HD1      PHE  21  -3.031  26.093  20.483
  163    HD2  PHE  21           HD2      PHE  21  -5.551  29.189  18.901
  164    HE1  PHE  21           HE1      PHE  21  -4.020  26.436  22.730
  165    HE2  PHE  21           HE2      PHE  21  -6.538  29.535  21.149
  166    HZ   PHE  21           HZ       PHE  21  -5.772  28.159  23.064
  167    H    CYS  22           H        CYS  22  -4.954  24.116  16.324
  168    HA   CYS  22           HA       CYS  22  -4.715  22.285  18.427
  169   1HB   CYS  22          1HB       CYS  22  -5.673  21.563  16.409
  170   2HB   CYS  22          2HB       CYS  22  -4.328  22.154  15.443
  171    HA   PRO  23           HA       PRO  23  -0.037  21.693  17.205
  172   1HB   PRO  23          1HB       PRO  23   0.895  24.266  16.321
  173   2HB   PRO  23          2HB       PRO  23   0.882  22.745  15.426
  174   1HG   PRO  23          1HG       PRO  23  -0.780  25.044  15.012
  175   2HG   PRO  23          2HG       PRO  23  -0.808  23.516  14.131
  176   1HD   PRO  23          1HD       PRO  23  -2.741  24.515  16.020
  177   2HD   PRO  23          2HD       PRO  23  -2.789  22.989  15.114
  178    H    GLN  24           H        GLN  24  -0.813  22.035  19.606
  179    HA   GLN  24           HA       GLN  24   0.445  24.471  20.803
  180   1HB   GLN  24          1HB       GLN  24  -1.813  24.279  21.463
  181   2HB   GLN  24          2HB       GLN  24  -1.718  22.523  21.588
  182   1HG   GLN  24          1HG       GLN  24  -0.277  22.719  23.565
  183   2HG   GLN  24          2HG       GLN  24  -0.290  24.474  23.422
  184   2HE2  GLN  24          2HE2      GLN  24  -2.648  21.749  23.655
  185   1HE2  GLN  24          1HE2      GLN  24  -3.747  22.592  24.637
  186    H    ASP  25           H        ASP  25  -0.138  21.209  22.072
  187    HA   ASP  25           HA       ASP  25   2.787  20.772  22.409
  188   1HB   ASP  25          1HB       ASP  25   0.696  21.165  24.538
  189   2HB   ASP  25          2HB       ASP  25   2.068  20.105  24.861
  190    H    LYS  26           H        LYS  26   1.710  19.275  20.607
  191    HA   LYS  26           HA       LYS  26   0.016  17.106  21.261
  192   1HB   LYS  26          1HB       LYS  26   2.220  17.584  19.259
  193   2HB   LYS  26          2HB       LYS  26   1.338  16.057  19.286
  194   1HG   LYS  26          1HG       LYS  26  -0.786  17.249  19.004
  195   2HG   LYS  26          2HG       LYS  26   0.056  18.797  19.056
  196   1HD   LYS  26          1HD       LYS  26   1.435  17.913  17.067
  197   2HD   LYS  26          2HD       LYS  26   0.202  16.660  16.927
  198   1HE   LYS  26          1HE       LYS  26  -1.542  18.345  16.622
  199   2HE   LYS  26          2HE       LYS  26  -0.369  19.648  16.900
  200   1HZ   LYS  26          1HZ       LYS  26  -0.180  17.583  14.762
  201   2HZ   LYS  26          2HZ       LYS  26  -0.672  19.191  14.521
  202   3HZ   LYS  26          3HZ       LYS  26   0.916  18.851  15.019
  203    H    LYS  27           H        LYS  27   3.217  17.705  22.355
  204    HA   LYS  27           HA       LYS  27   4.541  15.304  22.549
  205   1HB   LYS  27          1HB       LYS  27   4.002  17.450  24.617
  206   2HB   LYS  27          2HB       LYS  27   5.194  16.175  24.861
  207   1HG   LYS  27          1HG       LYS  27   5.175  18.102  22.519
  208   2HG   LYS  27          2HG       LYS  27   6.218  18.246  23.934
  209   1HD   LYS  27          1HD       LYS  27   7.110  15.948  23.417
  210   2HD   LYS  27          2HD       LYS  27   6.185  15.984  21.916
  211   1HE   LYS  27          1HE       LYS  27   7.399  18.123  21.313
  212   2HE   LYS  27          2HE       LYS  27   8.435  17.857  22.729
  213   1HZ   LYS  27          1HZ       LYS  27   7.964  15.595  20.930
  214   2HZ   LYS  27          2HZ       LYS  27   9.011  16.814  20.380
  215   3HZ   LYS  27          3HZ       LYS  27   9.353  15.993  21.824
  216    H    PHE  28           H        PHE  28   1.506  16.139  24.115
  217    HA   PHE  28           HA       PHE  28   1.323  14.229  26.168
  218   1HB   PHE  28          1HB       PHE  28  -0.844  15.019  24.194
  219   2HB   PHE  28          2HB       PHE  28  -1.069  14.522  25.870
  220    HD1  PHE  28           HD1      PHE  28   1.002  15.963  27.316
  221    HD2  PHE  28           HD2      PHE  28  -1.453  17.282  24.047
  222    HE1  PHE  28           HE1      PHE  28   1.283  18.315  28.053
  223    HE2  PHE  28           HE2      PHE  28  -1.169  19.636  24.783
  224    HZ   PHE  28           HZ       PHE  28   0.198  20.149  26.787
  225    H    PHE  29           H        PHE  29   1.236  13.777  22.695
  226    HA   PHE  29           HA       PHE  29  -0.072  11.402  22.237
  227   1HB   PHE  29          1HB       PHE  29   1.273  12.773  20.634
  228   2HB   PHE  29          2HB       PHE  29   2.742  12.090  21.331
  229    HD1  PHE  29           HD1      PHE  29  -0.285  11.368  19.343
  230    HD2  PHE  29           HD2      PHE  29   3.383   9.782  20.916
  231    HE1  PHE  29           HE1      PHE  29  -0.505   9.391  17.862
  232    HE2  PHE  29           HE2      PHE  29   3.164   7.805  19.436
  233    HZ   PHE  29           HZ       PHE  29   1.220   7.610  17.908
  234    H    GLN  30           H        GLN  30   2.836  11.818  24.158
  235    HA   GLN  30           HA       GLN  30   3.736   9.098  24.209
  236   1HB   GLN  30          1HB       GLN  30   3.971  11.492  26.041
  237   2HB   GLN  30          2HB       GLN  30   4.786   9.969  26.395
  238   1HG   GLN  30          1HG       GLN  30   5.637  10.172  23.917
  239   2HG   GLN  30          2HG       GLN  30   5.245  11.879  24.121
  240   2HE2  GLN  30          2HE2      GLN  30   7.046  13.044  24.783
  241   1HE2  GLN  30          1HE2      GLN  30   8.256  12.469  25.825
  242    H    SER  31           H        SER  31   0.870  10.447  25.430
  243    HA   SER  31           HA       SER  31   0.544   8.131  27.313
  244   1HB   SER  31          1HB       SER  31   0.928  10.191  28.559
  245   2HB   SER  31          2HB       SER  31  -0.296  11.033  27.607
  246    HG   SER  31           HG       SER  31  -1.851  10.014  28.648
  247    H    LEU  32           H        LEU  32  -1.597   7.238  27.356
  248    HA   LEU  32           HA       LEU  32  -3.080   7.068  25.011
  249   1HB   LEU  32          1HB       LEU  32  -3.291   5.710  27.115
  250   2HB   LEU  32          2HB       LEU  32  -4.182   7.052  27.831
  251    HG   LEU  32           HG       LEU  32  -5.965   6.836  26.261
  252   1HD1  LEU  32          1HD1      LEU  32  -4.085   4.986  24.769
  253   2HD1  LEU  32          2HD1      LEU  32  -5.799   5.146  24.384
  254   3HD1  LEU  32          3HD1      LEU  32  -4.723   6.534  24.215
  255   1HD2  LEU  32          1HD2      LEU  32  -5.918   5.107  28.046
  256   2HD2  LEU  32          2HD2      LEU  32  -6.689   4.514  26.576
  257   3HD2  LEU  32          3HD2      LEU  32  -5.036   4.034  26.960
  258    H    ASP  33           H        ASP  33  -3.895   9.193  27.772
  259    HA   ASP  33           HA       ASP  33  -6.060  10.572  26.633
  260   1HB   ASP  33          1HB       ASP  33  -3.822  11.372  28.511
  261   2HB   ASP  33          2HB       ASP  33  -5.149  12.471  28.137
  262    H    GLY  34           H        GLY  34  -2.581  11.063  26.224
  263   1HA   GLY  34          1HA       GLY  34  -1.404  12.460  24.732
  264   2HA   GLY  34          2HA       GLY  34  -2.880  13.401  24.524
  265    H    ILE  35           H        ILE  35  -2.315   9.936  24.007
  266    HA   ILE  35           HA       ILE  35  -2.122   9.933  21.186
  267    HB   ILE  35           HB       ILE  35  -3.005   8.045  23.341
  268   1HG1  ILE  35          1HG1      ILE  35  -0.627   8.329  22.843
  269   2HG1  ILE  35          2HG1      ILE  35  -1.143   6.713  22.358
  270   1HG2  ILE  35          1HG2      ILE  35  -3.702   7.816  20.448
  271   2HG2  ILE  35          2HG2      ILE  35  -3.096   6.364  21.246
  272   3HG2  ILE  35          3HG2      ILE  35  -4.540   7.170  21.859
  273   1HD1  ILE  35          1HD1      ILE  35  -1.614   8.476  20.159
  274   2HD1  ILE  35          2HD1      ILE  35   0.030   8.756  20.734
  275   3HD1  ILE  35          3HD1      ILE  35  -0.470   7.136  20.252
  276    H    MET  36           H        MET  36  -4.943  10.049  23.327
  277    HA   MET  36           HA       MET  36  -6.895   9.822  21.176
  278   1HB   MET  36          1HB       MET  36  -6.815  10.407  24.097
  279   2HB   MET  36          2HB       MET  36  -8.240  10.949  23.212
  280   1HG   MET  36          1HG       MET  36  -7.138   8.121  23.205
  281   2HG   MET  36          2HG       MET  36  -8.558   8.660  24.103
  282   1HE   MET  36          1HE       MET  36 -10.553   9.638  23.209
  283   2HE   MET  36          2HE       MET  36 -11.354   8.940  21.795
  284   3HE   MET  36          3HE       MET  36 -10.837   7.901  23.122
  285    H    PHE  37           H        PHE  37  -6.213  12.605  23.353
  286    HA   PHE  37           HA       PHE  37  -7.532  14.592  21.935
  287   1HB   PHE  37          1HB       PHE  37  -6.600  15.724  23.656
  288   2HB   PHE  37          2HB       PHE  37  -5.534  14.359  23.974
  289    HD1  PHE  37           HD1      PHE  37  -3.285  14.257  22.921
  290    HD2  PHE  37           HD2      PHE  37  -5.812  17.698  22.533
  291    HE1  PHE  37           HE1      PHE  37  -1.346  15.588  22.151
  292    HE2  PHE  37           HE2      PHE  37  -3.873  19.034  21.756
  293    HZ   PHE  37           HZ       PHE  37  -1.643  17.969  21.561
  294    H    ILE  38           H        ILE  38  -4.134  13.539  21.359
  295    HA   ILE  38           HA       ILE  38  -3.472  15.182  19.201
  296    HB   ILE  38           HB       ILE  38  -2.948  12.244  19.734
  297   1HG1  ILE  38          1HG1      ILE  38  -2.061  13.918  21.360
  298   2HG1  ILE  38          2HG1      ILE  38  -0.782  13.052  20.515
  299   1HG2  ILE  38          1HG2      ILE  38  -2.721  12.909  17.290
  300   2HG2  ILE  38          2HG2      ILE  38  -1.461  14.034  17.797
  301   3HG2  ILE  38          3HG2      ILE  38  -1.243  12.300  18.037
  302   1HD1  ILE  38          1HD1      ILE  38  -0.741  14.975  18.851
  303   2HD1  ILE  38          2HD1      ILE  38  -1.788  15.853  19.965
  304   3HD1  ILE  38          3HD1      ILE  38  -0.170  15.369  20.471
  305    H    ASN  39           H        ASN  39  -5.415  12.201  19.183
  306    HA   ASN  39           HA       ASN  39  -5.836  12.168  16.316
  307   1HB   ASN  39          1HB       ASN  39  -7.473  10.968  18.573
  308   2HB   ASN  39          2HB       ASN  39  -7.457  10.429  16.894
  309   2HD2  ASN  39          2HD2      ASN  39  -4.354  11.119  17.057
  310   1HD2  ASN  39          1HD2      ASN  39  -3.713   9.714  17.758
  311    H    LYS  40           H        LYS  40  -7.505  13.647  19.046
  312    HA   LYS  40           HA       LYS  40  -9.839  14.429  17.434
  313   1HB   LYS  40          1HB       LYS  40  -8.858  14.727  20.257
  314   2HB   LYS  40          2HB       LYS  40 -10.192  15.736  19.700
  315   1HG   LYS  40          1HG       LYS  40 -11.407  13.689  18.982
  316   2HG   LYS  40          2HG       LYS  40 -10.089  12.705  19.618
  317   1HD   LYS  40          1HD       LYS  40 -11.276  12.711  21.554
  318   2HD   LYS  40          2HD       LYS  40 -10.660  14.351  21.751
  319   1HE   LYS  40          1HE       LYS  40 -12.668  15.328  21.046
  320   2HE   LYS  40          2HE       LYS  40 -13.149  13.897  20.115
  321   1HZ   LYS  40          1HZ       LYS  40 -12.688  13.504  22.965
  322   2HZ   LYS  40          2HZ       LYS  40 -14.069  14.408  22.560
  323   3HZ   LYS  40          3HZ       LYS  40 -13.876  12.829  21.960
  324    H    CYS  41           H        CYS  41  -6.715  15.730  18.185
  325    HA   CYS  41           HA       CYS  41  -7.158  18.520  18.129
  326   1HB   CYS  41          1HB       CYS  41  -5.036  16.882  18.343
  327   2HB   CYS  41          2HB       CYS  41  -4.833  17.361  16.658
  328    H    ALA  42           H        ALA  42  -6.085  16.571  15.313
  329    HA   ALA  42           HA       ALA  42  -6.884  18.636  13.423
  330   1HB   ALA  42          1HB       ALA  42  -6.300  15.732  12.829
  331   2HB   ALA  42          2HB       ALA  42  -5.936  17.145  11.838
  332   3HB   ALA  42          3HB       ALA  42  -5.017  16.842  13.312
  333    H    THR  43           H        THR  43  -8.331  15.673  14.685
  334    HA   THR  43           HA       THR  43 -10.416  15.413  12.707
  335    HB   THR  43           HB       THR  43 -10.203  14.514  15.600
  336    HG1  THR  43           HG1      THR  43  -9.384  13.456  13.121
  337   1HG2  THR  43          1HG2      THR  43 -12.475  14.510  14.120
  338   2HG2  THR  43          2HG2      THR  43 -11.770  12.976  13.608
  339   3HG2  THR  43          3HG2      THR  43 -12.097  13.269  15.316
  340    H    CYS  44           H        CYS  44 -10.118  17.235  15.724
  341    HA   CYS  44           HA       CYS  44 -12.963  18.003  15.723
  342   1HB   CYS  44          1HB       CYS  44 -10.535  18.754  17.380
  343   2HB   CYS  44          2HB       CYS  44 -12.165  19.337  17.715
  344    H    LYS  45           H        LYS  45  -9.805  19.509  15.042
  345    HA   LYS  45           HA       LYS  45 -10.620  22.185  14.650
  346   1HB   LYS  45          1HB       LYS  45  -8.299  21.482  14.682
  347   2HB   LYS  45          2HB       LYS  45  -8.545  20.448  13.276
  348   1HG   LYS  45          1HG       LYS  45  -9.373  22.772  12.217
  349   2HG   LYS  45          2HG       LYS  45  -8.262  23.413  13.427
  350   1HD   LYS  45          1HD       LYS  45  -7.574  21.299  11.363
  351   2HD   LYS  45          2HD       LYS  45  -7.112  22.999  11.271
  352   1HE   LYS  45          1HE       LYS  45  -6.372  21.247  13.635
  353   2HE   LYS  45          2HE       LYS  45  -5.319  21.444  12.220
  354   1HZ   LYS  45          1HZ       LYS  45  -5.855  23.948  12.592
  355   2HZ   LYS  45          2HZ       LYS  45  -6.209  23.459  14.180
  356   3HZ   LYS  45          3HZ       LYS  45  -4.658  23.204  13.535
  357    H    MET  46           H        MET  46 -10.536  19.491  12.298
  358    HA   MET  46           HA       MET  46 -11.470  20.912  10.023
  359   1HB   MET  46          1HB       MET  46 -12.254  18.551   9.384
  360   2HB   MET  46          2HB       MET  46 -10.551  18.713   9.812
  361   1HG   MET  46          1HG       MET  46 -10.836  17.190  11.443
  362   2HG   MET  46          2HG       MET  46 -11.994  18.263  12.227
  363   1HE   MET  46          1HE       MET  46 -11.505  16.595   9.078
  364   2HE   MET  46          2HE       MET  46 -12.416  15.089   9.152
  365   3HE   MET  46          3HE       MET  46 -13.162  16.546   8.482
  366    H    ILE  47           H        ILE  47 -13.206  19.550  12.783
  367    HA   ILE  47           HA       ILE  47 -15.852  19.533  11.774
  368    HB   ILE  47           HB       ILE  47 -14.890  20.333  14.542
  369   1HG1  ILE  47          1HG1      ILE  47 -13.752  18.305  14.050
  370   2HG1  ILE  47          2HG1      ILE  47 -15.182  17.810  14.952
  371   1HG2  ILE  47          1HG2      ILE  47 -17.374  20.529  13.870
  372   2HG2  ILE  47          2HG2      ILE  47 -17.362  18.767  13.801
  373   3HG2  ILE  47          3HG2      ILE  47 -17.004  19.592  15.318
  374   1HD1  ILE  47          1HD1      ILE  47 -15.002  17.860  11.925
  375   2HD1  ILE  47          2HD1      ILE  47 -14.784  16.415  12.912
  376   3HD1  ILE  47          3HD1      ILE  47 -16.343  17.240  12.888
  377    H    LEU  48           H        LEU  48 -13.898  22.188  13.093
  378    HA   LEU  48           HA       LEU  48 -15.997  24.169  13.093
  379   1HB   LEU  48          1HB       LEU  48 -12.968  24.325  12.940
  380   2HB   LEU  48          2HB       LEU  48 -14.019  25.703  13.274
  381    HG   LEU  48           HG       LEU  48 -14.630  23.397  14.966
  382   1HD1  LEU  48          1HD1      LEU  48 -11.834  24.524  14.889
  383   2HD1  LEU  48          2HD1      LEU  48 -12.513  23.887  16.386
  384   3HD1  LEU  48          3HD1      LEU  48 -12.339  22.837  14.980
  385   1HD2  LEU  48          1HD2      LEU  48 -15.322  25.860  15.172
  386   2HD2  LEU  48          2HD2      LEU  48 -14.756  25.077  16.647
  387   3HD2  LEU  48          3HD2      LEU  48 -13.685  26.158  15.756
  388    H    GLU  49           H        GLU  49 -13.478  23.250  10.737
  389    HA   GLU  49           HA       GLU  49 -13.779  25.249   8.805
  390   1HB   GLU  49          1HB       GLU  49 -13.404  22.248   8.551
  391   2HB   GLU  49          2HB       GLU  49 -13.156  23.376   7.218
  392   1HG   GLU  49          1HG       GLU  49 -11.525  24.617   8.729
  393   2HG   GLU  49          2HG       GLU  49 -11.642  23.251   9.838
  394    H    LYS  50           H        LYS  50 -16.033  22.758   9.738
  395    HA   LYS  50           HA       LYS  50 -17.687  22.914   7.333
  396   1HB   LYS  50          1HB       LYS  50 -18.394  21.885  10.095
  397   2HB   LYS  50          2HB       LYS  50 -19.070  21.367   8.551
  398   1HG   LYS  50          1HG       LYS  50 -16.493  20.848   8.040
  399   2HG   LYS  50          2HG       LYS  50 -16.442  20.693   9.796
  400   1HD   LYS  50          1HD       LYS  50 -17.972  18.912   9.808
  401   2HD   LYS  50          2HD       LYS  50 -18.612  19.327   8.219
  402   1HE   LYS  50          1HE       LYS  50 -16.803  18.354   7.092
  403   2HE   LYS  50          2HE       LYS  50 -15.722  18.519   8.489
  404   1HZ   LYS  50          1HZ       LYS  50 -18.168  16.834   8.517
  405   2HZ   LYS  50          2HZ       LYS  50 -16.640  16.219   8.104
  406   3HZ   LYS  50          3HZ       LYS  50 -16.907  16.851   9.654
  407    H    GLU  51           H        GLU  51 -17.607  24.467  10.509
  408    HA   GLU  51           HA       GLU  51 -20.229  25.597  10.521
  409   1HB   GLU  51          1HB       GLU  51 -17.587  26.577  11.652
  410   2HB   GLU  51          2HB       GLU  51 -19.174  27.168  12.147
  411   1HG   GLU  51          1HG       GLU  51 -19.803  24.909  12.884
  412   2HG   GLU  51          2HG       GLU  51 -18.243  24.286  12.347
  413    H    ALA  52           H        ALA  52 -17.369  26.416   8.705
  414    HA   ALA  52           HA       ALA  52 -18.116  29.168   8.109
  415   1HB   ALA  52          1HB       ALA  52 -16.131  27.135   7.105
  416   2HB   ALA  52          2HB       ALA  52 -16.315  28.684   6.282
  417   3HB   ALA  52          3HB       ALA  52 -15.822  28.637   7.975
  418    H    LYS  53           H        LYS  53 -18.940  26.037   6.819
  419    HA   LYS  53           HA       LYS  53 -19.813  27.036   4.204
  420   1HB   LYS  53          1HB       LYS  53 -20.102  24.429   5.724
  421   2HB   LYS  53          2HB       LYS  53 -20.677  24.656   4.073
  422   1HG   LYS  53          1HG       LYS  53 -18.394  25.245   3.352
  423   2HG   LYS  53          2HG       LYS  53 -17.815  25.036   5.005
  424   1HD   LYS  53          1HD       LYS  53 -18.474  22.671   4.959
  425   2HD   LYS  53          2HD       LYS  53 -19.121  22.869   3.330
  426   1HE   LYS  53          1HE       LYS  53 -16.841  23.509   2.532
  427   2HE   LYS  53          2HE       LYS  53 -16.214  23.200   4.163
  428   1HZ   LYS  53          1HZ       LYS  53 -17.575  20.988   3.828
  429   2HZ   LYS  53          2HZ       LYS  53 -17.284  21.313   2.186
  430   3HZ   LYS  53          3HZ       LYS  53 -15.981  21.127   3.255
  431    H    SER  54           H        SER  54 -21.255  26.427   7.357
  432    HA   SER  54           HA       SER  54 -23.473  26.726   8.133
  433   1HB   SER  54          1HB       SER  54 -23.379  28.761   5.880
  434   2HB   SER  54          2HB       SER  54 -24.437  28.818   7.291
  435    HG   SER  54           HG       SER  54 -22.263  30.005   7.224
  436    H    GLN  55           H        GLN  55 -23.336  24.533   6.427
  437    HA   GLN  55           HA       GLN  55 -25.615  24.859   4.519
  438   1HB   GLN  55          1HB       GLN  55 -23.485  22.725   4.881
  439   2HB   GLN  55          2HB       GLN  55 -24.723  22.701   3.625
  440   1HG   GLN  55          1HG       GLN  55 -22.942  25.107   3.951
  441   2HG   GLN  55          2HG       GLN  55 -22.375  23.698   3.055
  442   2HE2  GLN  55          2HE2      GLN  55 -22.882  26.258   1.794
  443   1HE2  GLN  55          1HE2      GLN  55 -24.180  26.057   0.719

  No H/Q in entry =         443
  Start of MODEL   21
    1    H1   LYS   1           H1       LYS   1 -28.672  15.758  20.859
    2    H2   LYS   1           H2       LYS   1 -29.770  14.953  19.849
    3    H3   LYS   1           H3       LYS   1 -29.008  14.112  21.113
    4    HA   LYS   1           HA       LYS   1 -26.934  14.108  20.037
    5   1HB   LYS   1          1HB       LYS   1 -29.234  13.741  18.089
    6   2HB   LYS   1          2HB       LYS   1 -27.610  13.098  17.846
    7   1HG   LYS   1          1HG       LYS   1 -27.802  11.776  19.905
    8   2HG   LYS   1          2HG       LYS   1 -29.401  12.454  20.208
    9   1HD   LYS   1          1HD       LYS   1 -30.284  11.422  18.200
   10   2HD   LYS   1          2HD       LYS   1 -28.675  10.885  17.718
   11   1HE   LYS   1          1HE       LYS   1 -28.549   9.417  19.692
   12   2HE   LYS   1          2HE       LYS   1 -30.143   9.985  20.227
   13   1HZ   LYS   1          1HZ       LYS   1 -30.774   9.368  17.778
   14   2HZ   LYS   1          2HZ       LYS   1 -29.434   8.329  17.901
   15   3HZ   LYS   1          3HZ       LYS   1 -30.735   8.166  18.977
   16    H    ASN   2           H        ASN   2 -25.707  15.965  19.700
   17    HA   ASN   2           HA       ASN   2 -26.574  18.210  18.095
   18   1HB   ASN   2          1HB       ASN   2 -23.853  17.282  19.073
   19   2HB   ASN   2          2HB       ASN   2 -24.190  18.886  18.421
   20   2HD2  ASN   2          2HD2      ASN   2 -26.070  20.080  19.621
   21   1HD2  ASN   2          1HD2      ASN   2 -26.143  19.878  21.305
   22    H    GLU   3           H        GLU   3 -25.655  18.852  16.017
   23    HA   GLU   3           HA       GLU   3 -25.439  16.682  14.109
   24   1HB   GLU   3          1HB       GLU   3 -25.026  19.680  14.037
   25   2HB   GLU   3          2HB       GLU   3 -24.888  18.674  12.595
   26   1HG   GLU   3          1HG       GLU   3 -27.183  17.896  12.872
   27   2HG   GLU   3          2HG       GLU   3 -27.330  18.776  14.393
   28    H    ASP   4           H        ASP   4 -23.141  18.496  16.007
   29    HA   ASP   4           HA       ASP   4 -20.813  18.030  14.348
   30   1HB   ASP   4          1HB       ASP   4 -21.291  18.730  17.255
   31   2HB   ASP   4          2HB       ASP   4 -19.675  18.647  16.552
   32    H    GLN   5           H        GLN   5 -22.419  16.241  16.927
   33    HA   GLN   5           HA       GLN   5 -22.108  14.019  17.666
   34   1HB   GLN   5          1HB       GLN   5 -22.050  13.791  15.127
   35   2HB   GLN   5          2HB       GLN   5 -20.292  13.802  15.256
   36   1HG   GLN   5          1HG       GLN   5 -20.368  11.846  16.738
   37   2HG   GLN   5          2HG       GLN   5 -22.131  11.848  16.669
   38   2HE2  GLN   5          2HE2      GLN   5 -19.267  11.650  14.483
   39   1HE2  GLN   5          1HE2      GLN   5 -20.021  10.642  13.344
   40    H    GLU   6           H        GLU   6 -18.943  14.699  16.168
   41    HA   GLU   6           HA       GLU   6 -17.379  13.559  18.242
   42   1HB   GLU   6          1HB       GLU   6 -16.837  15.747  16.212
   43   2HB   GLU   6          2HB       GLU   6 -15.575  14.973  17.171
   44   1HG   GLU   6          1HG       GLU   6 -17.481  13.547  15.290
   45   2HG   GLU   6          2HG       GLU   6 -15.785  13.900  14.956
   46    H    MET   7           H        MET   7 -18.781  16.774  17.919
   47    HA   MET   7           HA       MET   7 -18.866  18.581  19.442
   48   1HB   MET   7          1HB       MET   7 -19.727  16.559  20.746
   49   2HB   MET   7          2HB       MET   7 -18.113  16.438  21.447
   50   1HG   MET   7          1HG       MET   7 -18.352  18.857  22.163
   51   2HG   MET   7          2HG       MET   7 -20.041  18.764  21.664
   52   1HE   MET   7          1HE       MET   7 -19.769  19.801  23.916
   53   2HE   MET   7          2HE       MET   7 -20.587  18.929  25.212
   54   3HE   MET   7          3HE       MET   7 -18.828  19.033  25.202
   55    H    CYS   8           H        CYS   8 -17.106  19.912  19.003
   56    HA   CYS   8           HA       CYS   8 -14.355  19.134  19.590
   57   1HB   CYS   8          1HB       CYS   8 -15.877  21.338  18.360
   58   2HB   CYS   8          2HB       CYS   8 -14.399  21.859  19.170
   59    H    HIS   9           H        HIS   9 -16.828  19.975  21.616
   60    HA   HIS   9           HA       HIS   9 -16.095  21.992  23.340
   61   1HB   HIS   9          1HB       HIS   9 -18.034  20.497  23.599
   62   2HB   HIS   9          2HB       HIS   9 -16.962  19.166  24.035
   63    HD1  HIS   9           HD1      HIS   9 -17.997  22.604  25.286
   64    HD2  HIS   9           HD2      HIS   9 -16.264  19.100  26.730
   65    HE1  HIS   9           HE1      HIS   9 -17.805  22.882  27.795
   66    H    GLU  10           H        GLU  10 -14.636  18.733  23.226
   67    HA   GLU  10           HA       GLU  10 -12.914  18.925  25.462
   68   1HB   GLU  10          1HB       GLU  10 -12.735  17.560  22.767
   69   2HB   GLU  10          2HB       GLU  10 -11.529  17.299  24.027
   70   1HG   GLU  10          1HG       GLU  10 -14.509  16.781  24.260
   71   2HG   GLU  10          2HG       GLU  10 -13.241  15.559  24.169
   72    H    PHE  11           H        PHE  11 -12.398  20.007  22.097
   73    HA   PHE  11           HA       PHE  11  -9.788  21.206  22.873
   74   1HB   PHE  11          1HB       PHE  11 -11.231  20.454  20.361
   75   2HB   PHE  11          2HB       PHE  11  -9.988  21.697  20.265
   76    HD1  PHE  11           HD1      PHE  11 -10.427  18.414  22.053
   77    HD2  PHE  11           HD2      PHE  11  -7.887  20.918  19.660
   78    HE1  PHE  11           HE1      PHE  11  -8.671  16.667  22.087
   79    HE2  PHE  11           HE2      PHE  11  -6.130  19.172  19.701
   80    HZ   PHE  11           HZ       PHE  11  -6.521  17.051  20.912
   81    H    GLN  12           H        GLN  12 -13.066  22.105  22.616
   82    HA   GLN  12           HA       GLN  12 -13.136  24.648  21.489
   83   1HB   GLN  12          1HB       GLN  12 -15.069  23.523  22.466
   84   2HB   GLN  12          2HB       GLN  12 -14.355  23.625  24.076
   85   1HG   GLN  12          1HG       GLN  12 -15.650  25.514  24.205
   86   2HG   GLN  12          2HG       GLN  12 -14.271  26.238  23.378
   87   2HE2  GLN  12          2HE2      GLN  12 -16.996  27.206  23.074
   88   1HE2  GLN  12          1HE2      GLN  12 -17.450  26.956  21.458
   89    H    ALA  13           H        ALA  13 -11.578  23.642  24.478
   90    HA   ALA  13           HA       ALA  13 -11.143  26.303  25.545
   91   1HB   ALA  13          1HB       ALA  13  -9.178  24.317  26.321
   92   2HB   ALA  13          2HB       ALA  13 -10.479  25.017  27.284
   93   3HB   ALA  13          3HB       ALA  13 -10.789  23.598  26.283
   94    H    PHE  14           H        PHE  14  -9.549  24.308  23.157
   95    HA   PHE  14           HA       PHE  14  -7.070  25.914  23.196
   96   1HB   PHE  14          1HB       PHE  14  -7.991  23.718  21.318
   97   2HB   PHE  14          2HB       PHE  14  -6.336  24.246  21.606
   98    HD1  PHE  14           HD1      PHE  14  -6.500  24.600  24.608
   99    HD2  PHE  14           HD2      PHE  14  -7.854  21.442  22.032
  100    HE1  PHE  14           HE1      PHE  14  -6.309  22.988  26.484
  101    HE2  PHE  14           HE2      PHE  14  -7.665  19.830  23.907
  102    HZ   PHE  14           HZ       PHE  14  -6.892  20.603  26.132
  103    H    MET  15           H        MET  15  -9.930  26.857  22.278
  104    HA   MET  15           HA       MET  15  -9.343  27.577  19.462
  105   1HB   MET  15          1HB       MET  15 -11.670  28.091  19.388
  106   2HB   MET  15          2HB       MET  15 -11.550  26.651  20.391
  107   1HG   MET  15          1HG       MET  15 -11.467  28.219  22.401
  108   2HG   MET  15          2HG       MET  15 -11.924  29.513  21.295
  109   1HE   MET  15          1HE       MET  15 -13.310  29.621  23.269
  110   2HE   MET  15          2HE       MET  15 -14.908  29.803  22.532
  111   3HE   MET  15          3HE       MET  15 -14.626  28.547  23.735
  112    H    LYS  16           H        LYS  16  -8.281  29.482  19.097
  113    HA   LYS  16           HA       LYS  16  -8.292  31.589  21.197
  114   1HB   LYS  16          1HB       LYS  16  -6.176  30.753  20.205
  115   2HB   LYS  16          2HB       LYS  16  -6.734  31.261  18.611
  116   1HG   LYS  16          1HG       LYS  16  -6.927  33.604  19.494
  117   2HG   LYS  16          2HG       LYS  16  -6.198  33.048  21.002
  118   1HD   LYS  16          1HD       LYS  16  -4.215  32.260  19.703
  119   2HD   LYS  16          2HD       LYS  16  -4.934  32.944  18.246
  120   1HE   LYS  16          1HE       LYS  16  -4.848  35.187  19.186
  121   2HE   LYS  16          2HE       LYS  16  -4.307  34.549  20.751
  122   1HZ   LYS  16          1HZ       LYS  16  -2.835  33.789  18.326
  123   2HZ   LYS  16          2HZ       LYS  16  -2.577  35.341  18.960
  124   3HZ   LYS  16          3HZ       LYS  16  -2.269  33.971  19.917
  125    H    ASN  17           H        ASN  17 -10.447  32.433  20.821
  126    HA   ASN  17           HA       ASN  17 -11.936  33.982  19.836
  127   1HB   ASN  17          1HB       ASN  17  -9.602  35.093  19.599
  128   2HB   ASN  17          2HB       ASN  17  -9.691  34.589  17.911
  129   2HD2  ASN  17          2HD2      ASN  17 -10.124  37.287  19.628
  130   1HD2  ASN  17          1HD2      ASN  17 -11.454  37.978  18.832
  131    H    GLY  18           H        GLY  18 -12.328  31.407  19.009
  132   1HA   GLY  18          1HA       GLY  18 -13.373  31.788  16.306
  133   2HA   GLY  18          2HA       GLY  18 -13.566  30.342  17.296
  134    H    LYS  19           H        LYS  19 -10.339  31.100  17.367
  135    HA   LYS  19           HA       LYS  19  -9.720  29.576  14.866
  136   1HB   LYS  19          1HB       LYS  19  -8.815  31.944  15.498
  137   2HB   LYS  19          2HB       LYS  19  -7.758  31.065  16.603
  138   1HG   LYS  19          1HG       LYS  19  -7.985  30.555  13.620
  139   2HG   LYS  19          2HG       LYS  19  -6.672  31.433  14.405
  140   1HD   LYS  19          1HD       LYS  19  -6.299  29.341  15.822
  141   2HD   LYS  19          2HD       LYS  19  -7.393  28.509  14.717
  142   1HE   LYS  19          1HE       LYS  19  -5.854  28.495  13.011
  143   2HE   LYS  19          2HE       LYS  19  -5.216  30.093  13.443
  144   1HZ   LYS  19          1HZ       LYS  19  -4.846  27.677  15.132
  145   2HZ   LYS  19          2HZ       LYS  19  -3.710  28.164  13.970
  146   3HZ   LYS  19          3HZ       LYS  19  -4.065  29.178  15.286
  147    H    LEU  20           H        LEU  20  -9.775  27.407  15.498
  148    HA   LEU  20           HA       LEU  20  -8.689  26.531  18.078
  149   1HB   LEU  20          1HB       LEU  20 -10.620  25.429  17.139
  150   2HB   LEU  20          2HB       LEU  20  -9.787  25.156  15.612
  151    HG   LEU  20           HG       LEU  20  -9.957  23.175  17.287
  152   1HD1  LEU  20          1HD1      LEU  20  -8.299  23.681  15.243
  153   2HD1  LEU  20          2HD1      LEU  20  -7.109  23.650  16.543
  154   3HD1  LEU  20          3HD1      LEU  20  -8.129  22.242  16.248
  155   1HD2  LEU  20          1HD2      LEU  20  -9.221  24.529  19.254
  156   2HD2  LEU  20          2HD2      LEU  20  -8.216  23.104  18.991
  157   3HD2  LEU  20          3HD2      LEU  20  -7.633  24.696  18.506
  158    H    PHE  21           H        PHE  21  -6.492  26.412  18.327
  159    HA   PHE  21           HA       PHE  21  -4.801  25.841  15.946
  160   1HB   PHE  21          1HB       PHE  21  -2.973  26.427  17.686
  161   2HB   PHE  21          2HB       PHE  21  -4.039  27.725  17.160
  162    HD1  PHE  21           HD1      PHE  21  -3.213  25.418  19.927
  163    HD2  PHE  21           HD2      PHE  21  -5.697  28.684  18.654
  164    HE1  PHE  21           HE1      PHE  21  -3.901  25.811  22.275
  165    HE2  PHE  21           HE2      PHE  21  -6.378  29.080  21.006
  166    HZ   PHE  21           HZ       PHE  21  -5.481  27.643  22.815
  167    H    CYS  22           H        CYS  22  -5.329  23.569  15.806
  168    HA   CYS  22           HA       CYS  22  -5.252  21.652  17.838
  169   1HB   CYS  22          1HB       CYS  22  -5.995  21.008  15.702
  170   2HB   CYS  22          2HB       CYS  22  -4.565  21.645  14.903
  171    HA   PRO  23           HA       PRO  23  -0.469  21.179  17.075
  172   1HB   PRO  23          1HB       PRO  23   0.501  23.790  16.359
  173   2HB   PRO  23          2HB       PRO  23   0.602  22.296  15.425
  174   1HG   PRO  23          1HG       PRO  23  -1.048  24.582  14.910
  175   2HG   PRO  23          2HG       PRO  23  -0.969  23.077  13.992
  176   1HD   PRO  23          1HD       PRO  23  -3.087  24.003  15.719
  177   2HD   PRO  23          2HD       PRO  23  -3.029  22.507  14.764
  178    H    GLN  24           H        GLN  24  -1.121  21.259  19.414
  179    HA   GLN  24           HA       GLN  24   0.031  23.666  20.784
  180   1HB   GLN  24          1HB       GLN  24  -2.430  23.666  20.872
  181   2HB   GLN  24          2HB       GLN  24  -2.419  22.018  21.499
  182   1HG   GLN  24          1HG       GLN  24  -1.041  22.871  23.445
  183   2HG   GLN  24          2HG       GLN  24  -1.338  24.505  22.852
  184   2HE2  GLN  24          2HE2      GLN  24  -3.374  21.552  23.354
  185   1HE2  GLN  24          1HE2      GLN  24  -4.623  22.378  24.155
  186    H    ASP  25           H        ASP  25   1.985  22.186  20.761
  187    HA   ASP  25           HA       ASP  25   3.435  20.689  21.869
  188   1HB   ASP  25          1HB       ASP  25   2.846  22.069  23.768
  189   2HB   ASP  25          2HB       ASP  25   1.303  21.241  23.951
  190    H    LYS  26           H        LYS  26   1.901  19.381  20.078
  191    HA   LYS  26           HA       LYS  26   0.085  17.401  20.942
  192   1HB   LYS  26          1HB       LYS  26   1.982  17.813  18.670
  193   2HB   LYS  26          2HB       LYS  26   1.235  16.225  18.838
  194   1HG   LYS  26          1HG       LYS  26  -0.986  17.197  18.767
  195   2HG   LYS  26          2HG       LYS  26  -0.320  18.828  18.813
  196   1HD   LYS  26          1HD       LYS  26   0.839  18.364  16.645
  197   2HD   LYS  26          2HD       LYS  26   0.036  16.796  16.588
  198   1HE   LYS  26          1HE       LYS  26  -2.172  17.926  16.615
  199   2HE   LYS  26          2HE       LYS  26  -1.354  19.501  16.652
  200   1HZ   LYS  26          1HZ       LYS  26  -0.165  18.842  14.617
  201   2HZ   LYS  26          2HZ       LYS  26  -1.059  17.398  14.564
  202   3HZ   LYS  26          3HZ       LYS  26  -1.843  18.894  14.374
  203    H    LYS  27           H        LYS  27   3.439  17.648  21.635
  204    HA   LYS  27           HA       LYS  27   4.532  15.132  21.691
  205   1HB   LYS  27          1HB       LYS  27   4.432  17.213  23.896
  206   2HB   LYS  27          2HB       LYS  27   5.604  15.900  23.823
  207   1HG   LYS  27          1HG       LYS  27   5.246  18.134  21.806
  208   2HG   LYS  27          2HG       LYS  27   6.631  17.878  22.867
  209   1HD   LYS  27          1HD       LYS  27   6.929  15.618  21.737
  210   2HD   LYS  27          2HD       LYS  27   5.732  16.145  20.553
  211   1HE   LYS  27          1HE       LYS  27   7.128  17.963  19.821
  212   2HE   LYS  27          2HE       LYS  27   8.239  17.738  21.187
  213   1HZ   LYS  27          1HZ       LYS  27   7.632  15.552  19.282
  214   2HZ   LYS  27          2HZ       LYS  27   8.883  16.662  18.981
  215   3HZ   LYS  27          3HZ       LYS  27   8.934  15.673  20.362
  216    H    PHE  28           H        PHE  28   1.772  16.220  23.565
  217    HA   PHE  28           HA       PHE  28   1.550  14.502  25.704
  218   1HB   PHE  28          1HB       PHE  28  -0.655  14.920  23.670
  219   2HB   PHE  28          2HB       PHE  28  -0.828  14.734  25.413
  220    HD1  PHE  28           HD1      PHE  28   1.347  16.517  26.392
  221    HD2  PHE  28           HD2      PHE  28  -1.506  17.068  23.232
  222    HE1  PHE  28           HE1      PHE  28   1.529  18.978  26.653
  223    HE2  PHE  28           HE2      PHE  28  -1.327  19.523  23.492
  224    HZ   PHE  28           HZ       PHE  28   0.193  20.482  25.198
  225    H    PHE  29           H        PHE  29   1.418  13.650  22.302
  226    HA   PHE  29           HA       PHE  29   0.198  11.186  22.160
  227   1HB   PHE  29          1HB       PHE  29   1.395  12.407  20.352
  228   2HB   PHE  29          2HB       PHE  29   2.933  11.931  21.072
  229    HD1  PHE  29           HD1      PHE  29   3.171   9.318  21.547
  230    HD2  PHE  29           HD2      PHE  29   0.500  11.065  18.671
  231    HE1  PHE  29           HE1      PHE  29   3.073   7.161  20.326
  232    HE2  PHE  29           HE2      PHE  29   0.403   8.908  17.451
  233    HZ   PHE  29           HZ       PHE  29   1.690   6.956  18.278
  234    H    GLN  30           H        GLN  30   3.138  11.942  23.920
  235    HA   GLN  30           HA       GLN  30   4.206   9.306  24.216
  236   1HB   GLN  30          1HB       GLN  30   4.315  11.897  25.756
  237   2HB   GLN  30          2HB       GLN  30   5.166  10.467  26.342
  238   1HG   GLN  30          1HG       GLN  30   6.055  10.358  23.858
  239   2HG   GLN  30          2HG       GLN  30   5.644  12.073  23.854
  240   2HE2  GLN  30          2HE2      GLN  30   7.245  13.437  24.656
  241   1HE2  GLN  30          1HE2      GLN  30   8.513  12.955  25.675
  242    H    SER  31           H        SER  31   1.290  10.605  25.397
  243    HA   SER  31           HA       SER  31   1.078   8.364  27.373
  244   1HB   SER  31          1HB       SER  31   0.308  11.279  27.713
  245   2HB   SER  31          2HB       SER  31  -0.094  10.005  28.865
  246    HG   SER  31           HG       SER  31   1.930  11.305  29.165
  247    H    LEU  32           H        LEU  32  -1.019   7.452  27.503
  248    HA   LEU  32           HA       LEU  32  -2.697   7.371  25.285
  249   1HB   LEU  32          1HB       LEU  32  -2.607   6.143  27.647
  250   2HB   LEU  32          2HB       LEU  32  -3.892   7.291  28.026
  251    HG   LEU  32           HG       LEU  32  -3.979   5.643  25.501
  252   1HD1  LEU  32          1HD1      LEU  32  -4.370   4.772  28.293
  253   2HD1  LEU  32          2HD1      LEU  32  -5.713   4.388  27.217
  254   3HD1  LEU  32          3HD1      LEU  32  -4.090   3.808  26.843
  255   1HD2  LEU  32          1HD2      LEU  32  -5.972   7.139  27.217
  256   2HD2  LEU  32          2HD2      LEU  32  -5.554   7.438  25.531
  257   3HD2  LEU  32          3HD2      LEU  32  -6.472   5.998  25.969
  258    H    ASP  33           H        ASP  33  -3.341   9.318  28.216
  259    HA   ASP  33           HA       ASP  33  -5.564  10.763  27.290
  260   1HB   ASP  33          1HB       ASP  33  -3.234  11.495  29.090
  261   2HB   ASP  33          2HB       ASP  33  -4.658  12.521  28.916
  262    H    GLY  34           H        GLY  34  -2.118  11.273  26.709
  263   1HA   GLY  34          1HA       GLY  34  -1.013  12.800  25.288
  264   2HA   GLY  34          2HA       GLY  34  -2.484  13.774  25.275
  265    H    ILE  35           H        ILE  35  -2.063  10.369  24.372
  266    HA   ILE  35           HA       ILE  35  -2.042  10.698  21.546
  267    HB   ILE  35           HB       ILE  35  -2.737   8.556  23.527
  268   1HG1  ILE  35          1HG1      ILE  35  -0.391   9.154  22.759
  269   2HG1  ILE  35          2HG1      ILE  35  -0.838   7.462  22.539
  270   1HG2  ILE  35          1HG2      ILE  35  -3.310   8.449  20.555
  271   2HG2  ILE  35          2HG2      ILE  35  -3.094   7.001  21.539
  272   3HG2  ILE  35          3HG2      ILE  35  -4.423   8.108  21.880
  273   1HD1  ILE  35          1HD1      ILE  35  -1.197   9.525  20.356
  274   2HD1  ILE  35          2HD1      ILE  35   0.293   8.599  20.540
  275   3HD1  ILE  35          3HD1      ILE  35  -1.226   7.768  20.203
  276    H    MET  36           H        MET  36  -4.706  10.573  23.880
  277    HA   MET  36           HA       MET  36  -6.872  10.318  22.030
  278   1HB   MET  36          1HB       MET  36  -6.403  11.219  24.819
  279   2HB   MET  36          2HB       MET  36  -7.887  11.801  24.063
  280   1HG   MET  36          1HG       MET  36  -8.460   9.456  23.450
  281   2HG   MET  36          2HG       MET  36  -7.013   8.904  24.296
  282   1HE   MET  36          1HE       MET  36 -10.325   9.562  24.079
  283   2HE   MET  36          2HE       MET  36 -11.033   9.213  25.654
  284   3HE   MET  36          3HE       MET  36 -10.669  10.879  25.210
  285    H    PHE  37           H        PHE  37  -5.698  13.312  23.640
  286    HA   PHE  37           HA       PHE  37  -7.193  15.212  22.304
  287   1HB   PHE  37          1HB       PHE  37  -5.823  16.377  23.676
  288   2HB   PHE  37          2HB       PHE  37  -4.692  15.029  23.753
  289    HD1  PHE  37           HD1      PHE  37  -2.828  14.863  22.135
  290    HD2  PHE  37           HD2      PHE  37  -5.452  18.253  22.201
  291    HE1  PHE  37           HE1      PHE  37  -1.230  16.115  20.731
  292    HE2  PHE  37           HE2      PHE  37  -3.850  19.514  20.791
  293    HZ   PHE  37           HZ       PHE  37  -1.749  18.433  20.055
  294    H    ILE  38           H        ILE  38  -4.037  13.951  21.085
  295    HA   ILE  38           HA       ILE  38  -3.972  15.265  18.613
  296    HB   ILE  38           HB       ILE  38  -3.161  12.465  19.447
  297   1HG1  ILE  38          1HG1      ILE  38  -1.728  15.123  19.215
  298   2HG1  ILE  38          2HG1      ILE  38  -1.954  14.144  20.664
  299   1HG2  ILE  38          1HG2      ILE  38  -3.495  12.798  16.932
  300   2HG2  ILE  38          2HG2      ILE  38  -2.182  13.973  17.013
  301   3HG2  ILE  38          3HG2      ILE  38  -1.883  12.286  17.433
  302   1HD1  ILE  38          1HD1      ILE  38  -0.394  13.227  18.231
  303   2HD1  ILE  38          2HD1      ILE  38   0.347  13.950  19.658
  304   3HD1  ILE  38          3HD1      ILE  38  -0.502  12.409  19.791
  305    H    ASN  39           H        ASN  39  -5.744  12.322  19.527
  306    HA   ASN  39           HA       ASN  39  -6.724  11.643  16.926
  307   1HB   ASN  39          1HB       ASN  39  -7.996  11.269  19.658
  308   2HB   ASN  39          2HB       ASN  39  -8.346  10.320  18.214
  309   2HD2  ASN  39          2HD2      ASN  39  -7.344   9.077  20.596
  310   1HD2  ASN  39          1HD2      ASN  39  -5.776   8.506  20.284
  311    H    LYS  40           H        LYS  40  -7.960  13.809  19.447
  312    HA   LYS  40           HA       LYS  40 -10.338  14.516  17.842
  313   1HB   LYS  40          1HB       LYS  40  -9.247  14.949  20.575
  314   2HB   LYS  40          2HB       LYS  40 -10.295  16.223  19.953
  315   1HG   LYS  40          1HG       LYS  40 -12.141  14.807  19.788
  316   2HG   LYS  40          2HG       LYS  40 -11.144  13.357  19.670
  317   1HD   LYS  40          1HD       LYS  40 -10.399  14.126  22.118
  318   2HD   LYS  40          2HD       LYS  40 -11.988  14.890  22.092
  319   1HE   LYS  40          1HE       LYS  40 -12.294  12.662  22.987
  320   2HE   LYS  40          2HE       LYS  40 -12.917  12.629  21.327
  321   1HZ   LYS  40          1HZ       LYS  40 -10.058  12.152  21.708
  322   2HZ   LYS  40          2HZ       LYS  40 -11.105  10.904  22.180
  323   3HZ   LYS  40          3HZ       LYS  40 -11.126  11.469  20.577
  324    H    CYS  41           H        CYS  41  -7.092  15.623  18.303
  325    HA   CYS  41           HA       CYS  41  -7.283  18.404  17.830
  326   1HB   CYS  41          1HB       CYS  41  -5.322  16.605  18.256
  327   2HB   CYS  41          2HB       CYS  41  -5.119  16.825  16.519
  328    H    ALA  42           H        ALA  42  -6.357  16.028  15.316
  329    HA   ALA  42           HA       ALA  42  -6.962  17.778  13.121
  330   1HB   ALA  42          1HB       ALA  42  -6.898  14.752  13.129
  331   2HB   ALA  42          2HB       ALA  42  -6.448  15.834  11.811
  332   3HB   ALA  42          3HB       ALA  42  -5.437  15.732  13.253
  333    H    THR  43           H        THR  43  -8.904  15.483  14.953
  334    HA   THR  43           HA       THR  43 -11.082  15.394  12.999
  335    HB   THR  43           HB       THR  43 -10.829  14.567  15.909
  336    HG1  THR  43           HG1      THR  43 -10.693  13.105  13.482
  337   1HG2  THR  43          1HG2      THR  43 -13.087  14.581  14.036
  338   2HG2  THR  43          2HG2      THR  43 -12.767  12.994  14.735
  339   3HG2  THR  43          3HG2      THR  43 -13.081  14.374  15.786
  340    H    CYS  44           H        CYS  44 -10.124  17.499  15.579
  341    HA   CYS  44           HA       CYS  44 -12.844  18.622  15.928
  342   1HB   CYS  44          1HB       CYS  44 -11.336  18.239  17.848
  343   2HB   CYS  44          2HB       CYS  44 -10.137  19.310  17.122
  344    H    LYS  45           H        LYS  45  -9.593  19.825  14.977
  345    HA   LYS  45           HA       LYS  45 -10.312  22.439  14.212
  346   1HB   LYS  45          1HB       LYS  45  -8.293  22.245  12.754
  347   2HB   LYS  45          2HB       LYS  45  -8.019  21.582  14.365
  348   1HG   LYS  45          1HG       LYS  45  -7.715  19.486  13.561
  349   2HG   LYS  45          2HG       LYS  45  -9.106  19.612  12.486
  350   1HD   LYS  45          1HD       LYS  45  -7.398  19.504  10.930
  351   2HD   LYS  45          2HD       LYS  45  -7.513  21.250  11.150
  352   1HE   LYS  45          1HE       LYS  45  -5.636  21.254  12.680
  353   2HE   LYS  45          2HE       LYS  45  -5.611  19.481  12.729
  354   1HZ   LYS  45          1HZ       LYS  45  -5.398  19.634  10.213
  355   2HZ   LYS  45          2HZ       LYS  45  -5.000  21.270  10.445
  356   3HZ   LYS  45          3HZ       LYS  45  -4.023  20.058  11.117
  357    H    MET  46           H        MET  46 -10.913  19.394  12.596
  358    HA   MET  46           HA       MET  46 -11.519  20.499   9.985
  359   1HB   MET  46          1HB       MET  46 -12.491  18.186   9.688
  360   2HB   MET  46          2HB       MET  46 -10.831  18.191  10.281
  361   1HG   MET  46          1HG       MET  46 -11.446  17.130  12.170
  362   2HG   MET  46          2HG       MET  46 -12.682  18.343  12.499
  363   1HE   MET  46          1HE       MET  46 -11.898  16.272   9.600
  364   2HE   MET  46          2HE       MET  46 -12.147  14.744  10.458
  365   3HE   MET  46          3HE       MET  46 -13.305  15.274   9.240
  366    H    ILE  47           H        ILE  47 -13.296  20.037  12.965
  367    HA   ILE  47           HA       ILE  47 -15.963  20.195  11.844
  368    HB   ILE  47           HB       ILE  47 -15.031  20.988  14.617
  369   1HG1  ILE  47          1HG1      ILE  47 -13.966  18.889  14.265
  370   2HG1  ILE  47          2HG1      ILE  47 -15.462  18.504  15.116
  371   1HG2  ILE  47          1HG2      ILE  47 -17.431  21.343  13.953
  372   2HG2  ILE  47          2HG2      ILE  47 -17.557  19.606  13.668
  373   3HG2  ILE  47          3HG2      ILE  47 -17.227  20.212  15.291
  374   1HD1  ILE  47          1HD1      ILE  47 -16.551  17.982  12.958
  375   2HD1  ILE  47          2HD1      ILE  47 -15.047  18.352  12.115
  376   3HD1  ILE  47          3HD1      ILE  47 -15.126  16.975  13.214
  377    H    LEU  48           H        LEU  48 -13.595  22.544  13.016
  378    HA   LEU  48           HA       LEU  48 -15.350  24.836  13.030
  379   1HB   LEU  48          1HB       LEU  48 -12.358  24.403  12.846
  380   2HB   LEU  48          2HB       LEU  48 -13.077  26.011  12.963
  381    HG   LEU  48           HG       LEU  48 -14.224  24.230  14.942
  382   1HD1  LEU  48          1HD1      LEU  48 -11.229  24.375  14.707
  383   2HD1  LEU  48          2HD1      LEU  48 -11.980  24.281  16.300
  384   3HD1  LEU  48          3HD1      LEU  48 -12.244  22.994  15.123
  385   1HD2  LEU  48          1HD2      LEU  48 -14.092  26.805  14.791
  386   2HD2  LEU  48          2HD2      LEU  48 -13.817  26.072  16.373
  387   3HD2  LEU  48          3HD2      LEU  48 -12.449  26.626  15.408
  388    H    GLU  49           H        GLU  49 -13.092  23.483  10.611
  389    HA   GLU  49           HA       GLU  49 -13.139  25.427   8.621
  390   1HB   GLU  49          1HB       GLU  49 -13.382  22.406   8.429
  391   2HB   GLU  49          2HB       GLU  49 -12.955  23.446   7.070
  392   1HG   GLU  49          1HG       GLU  49 -11.024  24.313   8.408
  393   2HG   GLU  49          2HG       GLU  49 -11.419  23.143   9.667
  394    H    LYS  50           H        LYS  50 -15.769  23.391   9.704
  395    HA   LYS  50           HA       LYS  50 -17.496  23.747   7.405
  396   1HB   LYS  50          1HB       LYS  50 -18.182  23.150  10.301
  397   2HB   LYS  50          2HB       LYS  50 -19.142  22.733   8.882
  398   1HG   LYS  50          1HG       LYS  50 -16.343  21.755   8.860
  399   2HG   LYS  50          2HG       LYS  50 -17.395  21.016  10.066
  400   1HD   LYS  50          1HD       LYS  50 -19.047  20.502   8.288
  401   2HD   LYS  50          2HD       LYS  50 -17.963  21.209   7.090
  402   1HE   LYS  50          1HE       LYS  50 -17.124  19.092   6.888
  403   2HE   LYS  50          2HE       LYS  50 -16.314  19.419   8.432
  404   1HZ   LYS  50          1HZ       LYS  50 -19.144  18.588   8.389
  405   2HZ   LYS  50          2HZ       LYS  50 -17.926  17.411   8.252
  406   3HZ   LYS  50          3HZ       LYS  50 -17.998  18.407   9.626
  407    H    GLU  51           H        GLU  51 -16.815  25.616  10.307
  408    HA   GLU  51           HA       GLU  51 -19.179  27.305  10.155
  409   1HB   GLU  51          1HB       GLU  51 -17.973  26.949  12.234
  410   2HB   GLU  51          2HB       GLU  51 -16.475  27.538  11.514
  411   1HG   GLU  51          1HG       GLU  51 -17.597  29.754  11.143
  412   2HG   GLU  51          2HG       GLU  51 -18.993  29.146  12.033
  413    H    ALA  52           H        ALA  52 -15.966  27.364   8.730
  414    HA   ALA  52           HA       ALA  52 -16.089  30.166   7.903
  415   1HB   ALA  52          1HB       ALA  52 -14.154  28.242   8.241
  416   2HB   ALA  52          2HB       ALA  52 -13.907  29.761   7.379
  417   3HB   ALA  52          3HB       ALA  52 -14.303  28.293   6.484
  418    H    LYS  53           H        LYS  53 -17.134  27.098   6.596
  419    HA   LYS  53           HA       LYS  53 -17.324  27.970   3.822
  420   1HB   LYS  53          1HB       LYS  53 -17.052  25.622   4.539
  421   2HB   LYS  53          2HB       LYS  53 -18.606  25.693   5.371
  422   1HG   LYS  53          1HG       LYS  53 -19.724  26.176   3.211
  423   2HG   LYS  53          2HG       LYS  53 -18.168  26.061   2.390
  424   1HD   LYS  53          1HD       LYS  53 -17.943  23.720   3.211
  425   2HD   LYS  53          2HD       LYS  53 -19.543  23.846   3.942
  426   1HE   LYS  53          1HE       LYS  53 -18.996  24.264   0.981
  427   2HE   LYS  53          2HE       LYS  53 -19.605  22.753   1.683
  428   1HZ   LYS  53          1HZ       LYS  53 -21.338  24.221   2.792
  429   2HZ   LYS  53          2HZ       LYS  53 -20.875  25.434   1.701
  430   3HZ   LYS  53          3HZ       LYS  53 -21.518  23.972   1.121
  431    H    SER  54           H        SER  54 -19.439  28.030   6.640
  432    HA   SER  54           HA       SER  54 -21.869  28.624   5.133
  433   1HB   SER  54          1HB       SER  54 -21.057  28.806   8.050
  434   2HB   SER  54          2HB       SER  54 -22.701  29.086   7.476
  435    HG   SER  54           HG       SER  54 -21.174  26.721   7.422
  436    H    GLN  55           H        GLN  55 -19.218  30.468   6.461
  437    HA   GLN  55           HA       GLN  55 -20.045  32.899   5.146
  438   1HB   GLN  55          1HB       GLN  55 -21.734  32.745   6.968
  439   2HB   GLN  55          2HB       GLN  55 -20.428  32.728   8.154
  440   1HG   GLN  55          1HG       GLN  55 -21.172  35.000   8.028
  441   2HG   GLN  55          2HG       GLN  55 -19.654  34.938   7.133
  442   2HE2  GLN  55          2HE2      GLN  55 -22.610  36.324   6.909
  443   1HE2  GLN  55          1HE2      GLN  55 -22.823  36.327   5.225

  No H/Q in entry =         443