*HEADER    UNKNOWN FUNCTION                        21-AUG-07   2JUC              
*TITLE     URN1 FF DOMAIN YEAST                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PRE-MRNA-SPLICING FACTOR URN1;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: FF DOMAIN (RESIDUES 212-266);                              
*COMPND   5 SYNONYM: U2-U5-U6 SNRNP, RES COMPLEX AND NTC-INTERACTING             
*COMPND   6 PRE-MRNA-SPLICING FACTOR 1;                                          
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 GENE: URN1;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PETM30                                    
*KEYWDS    FF, HELICAL BUNDLE, NMR, SOLUTION, MRNA PROCESSING, MRNA              
*KEYWDS   2 SPLICING, NUCLEUS, SPLICEOSOME, UNKNOWN FUNCTION                     
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    R.BONET, X.RAMIREZ-ESPAIN, M.J.MACIAS                                 
*REVDAT   1   17-JUN-08 2JUC    0                                                


!From manual noes, file hbonds-2 
assign ( residue 16 and name O and segid A) ( residue 21 and name HN  and segid A ) 1.8 1 1 
assign ( residue 22 and name O and segid A) ( residue 25 and name HN  and segid A ) 3 1 1 
assign ( residue 30 and name OE1 and segid A) ( residue 22 and name HN  and segid A ) 3 1 1 
!From xeasy noes, file 2D-noesy-calc28-bis-7-integr 
assign ( resid 48 and name HN ) ( resid 47 and name HN ) 2.2824 0.601846153846154 0.601846153846154 
 assign ( resid 47 and name HD+ ) ( resid 48 and name HN ) 3.5388 1.56830769230769 1.56830769230769 
 assign ( resid 47 and name HB ) ( resid 48 and name HN ) 3.1249 1.24992307692308 1.24992307692308 
 assign ( resid 47 and name HN ) ( resid 46 and name HN ) 2.7649 0.973 0.973 
 assign ( resid 46 and name HA ) ( resid 47 and name HN ) 3.5514 1.578 1.578 
 assign ( resid 46 and name HB2 ) ( resid 47 and name HN ) 3.4047 1.46515384615385 1.46515384615385 
 assign ( resid 46 and name HB1 ) ( resid 47 and name HN ) 3.2110 1.31615384615385 1.31615384615385 
 assign ( resid 45 and name HA ) ( resid 46 and name HN ) 1.6729 0.5 0.5 
 assign ( resid 45 and name HB1 ) ( resid 46 and name HN ) 3.5628 1.58676923076923 1.58676923076923 
 assign ( resid 45 and name HN ) ( resid 46 and name HN ) 3.6271 1.63623076923077 1.63623076923077 
 assign ( resid 44 and name HA ) ( resid 45 and name HN ) 3.2504 1.34646153846154 1.34646153846154 
 assign ( resid 45 and name HN ) ( resid 44 and name HN ) 2.3568 0.659076923076923 0.659076923076923 
 assign ( resid 44 and name HB2 ) ( resid 45 and name HN ) 3.5068 1.54369230769231 1.54369230769231 
 assign ( resid 44 and name HG2 ) ( resid 45 and name HN ) 3.1925 1.30192307692308 1.30192307692308 
 assign ( resid 43 and name HD+ ) ( resid 44 and name HN ) 3.1165 1.24346153846154 1.24346153846154 
 assign ( resid 43 and name HA ) ( resid 44 and name HN ) 1.7664 0.5 0.5 
 assign ( resid 43 and name HN ) ( resid 44 and name HN ) 3.6296 1.63815384615385 1.63815384615385 
 assign ( resid 18 and name HG1 ) ( resid 19 and name HD+ ) 3.6918 1.686 1.686 
 assign ( resid 42 and name HA ) ( resid 43 and name HN ) 3.2555 1.35038461538462 1.35038461538462 
 assign ( resid 42 and name HB2 ) ( resid 43 and name HN ) 3.2599 1.35376923076923 1.35376923076923 
 assign ( resid 18 and name HG2 ) ( resid 19 and name HD+ ) 3.7147 1.70361538461538 1.70361538461538 
 assign ( resid 41 and name HA ) ( resid 42 and name HN ) 3.1213 1.24715384615385 1.24715384615385 
 assign ( resid 39 and name HA ) ( resid 40 and name HN ) 3.1419 1.263 1.263 
 assign ( resid 39 and name HB2 ) ( resid 40 and name HN ) 3.4493 1.49946153846154 1.49946153846154 
 assign ( resid 39 and name HB1 ) ( resid 40 and name HN ) 3.5445 1.57269230769231 1.57269230769231 
 assign ( resid 43 and name HN ) ( resid 42 and name HN ) 2.4579 0.736846153846154 0.736846153846154 
 assign ( resid 40 and name HN ) ( resid 39 and name HN ) 2.3405 0.646538461538462 0.646538461538462 
 assign ( resid 41 and name HN ) ( resid 42 and name HN ) 2.2999 0.615307692307692 0.615307692307692 
 assign ( resid 41 and name HN ) ( resid 40 and name HN ) 2.3762 0.674 0.674 
 assign ( resid 51 and name HN ) ( resid 50 and name HN ) 2.6344 0.872615384615384 0.872615384615384 
 assign ( resid 53 and name HN ) ( resid 54 and name HN ) 2.4778 0.752153846153846 0.752153846153846 
 assign ( resid 52 and name HN ) ( resid 53 and name HN ) 2.4139 0.703 0.703 
 assign ( resid 51 and name HN ) ( resid 52 and name HN ) 2.5064 0.774153846153846 0.774153846153846 
 assign ( resid 53 and name HB1 ) ( resid 54 and name HN ) 2.6991 0.922384615384615 0.922384615384615 
 assign ( resid 53 and name HB2 ) ( resid 54 and name HN ) 2.7830 0.986923076923077 0.986923076923077 
 assign ( resid 53 and name HA ) ( resid 54 and name HN ) 3.4523 1.50176923076923 1.50176923076923 
 assign ( resid 55 and name HN ) ( resid 54 and name HN ) 2.2648 0.588307692307692 0.588307692307692 
 assign ( resid 52 and name HB2 ) ( resid 53 and name HN ) 2.4320 0.716923076923077 0.716923076923077 
 assign ( resid 52 and name HA ) ( resid 53 and name HN ) 3.4084 1.468 1.468 
 assign ( resid 51 and name HA ) ( resid 52 and name HN ) 2.9546 1.11892307692308 1.11892307692308 
 assign ( resid 51 and name HB2 ) ( resid 52 and name HN ) 2.6360 0.873846153846154 0.873846153846154 
 assign ( resid 52 and name HB1 ) ( resid 53 and name HN ) 3.2170 1.32076923076923 1.32076923076923 
 assign ( resid 52 and name HD+ ) ( resid 53 and name HN ) 3.9060 1.85076923076923 1.85076923076923 
 assign ( resid 52 and name HG ) ( resid 53 and name HN ) 3.6307 1.639 1.639 
 assign ( resid 54 and name HA ) ( resid 55 and name HN ) 3.1274 1.25184615384615 1.25184615384615 
 assign ( resid 54 and name HB1 ) ( resid 55 and name HN ) 2.9892 1.14553846153846 1.14553846153846 
 assign ( resid 54 and name HG1 ) ( resid 55 and name HN ) 2.4956 0.765846153846154 0.765846153846154 
 assign ( resid 55 and name HN ) ( resid 56 and name HN ) 2.2913 0.608692307692308 0.608692307692308 
 assign ( resid 57 and name HN ) ( resid 56 and name HN ) 2.5257 0.789 0.789 
 assign ( resid 55 and name HA ) ( resid 56 and name HN ) 3.2023 1.30946153846154 1.30946153846154 
 assign ( resid 56 and name HA ) ( resid 57 and name HN ) 3.4081 1.46776923076923 1.46776923076923 
 assign ( resid 56 and name HB2 ) ( resid 57 and name HN ) 3.0364 1.18184615384615 1.18184615384615 
 assign ( resid 58 and name HN ) ( resid 57 and name HN ) 2.5923 0.840230769230769 0.840230769230769 
 assign ( resid 57 and name HB2 ) ( resid 58 and name HN ) 3.2533 1.34869230769231 1.34869230769231 
 assign ( resid 57 and name HA ) ( resid 58 and name HN ) 3.3559 1.42761538461538 1.42761538461538 
 assign ( resid 48 and name HD+ ) ( resid 49 and name HN ) 3.2701 1.36161538461538 1.36161538461538 
 assign ( resid 48 and name HD+ ) ( resid 49 and name HN ) 3.4983 1.53715384615385 1.53715384615385 
 assign ( resid 48 and name HB ) ( resid 49 and name HN ) 2.6260 0.866153846153846 0.866153846153846 
 assign ( resid 48 and name HA ) ( resid 49 and name HN ) 3.3223 1.40176923076923 1.40176923076923 
 assign ( resid 35 and name HN ) ( resid 34 and name HN ) 2.2158 0.550615384615384 0.550615384615384 
 assign ( resid 34 and name HG11 ) ( resid 35 and name HN ) 3.1570 1.27461538461538 1.27461538461538 
 assign ( resid 34 and name HD+ ) ( resid 35 and name HN ) 2.6326 0.871230769230769 0.871230769230769 
 assign ( resid 34 and name HG12 ) ( resid 35 and name HN ) 2.7642 0.972461538461538 0.972461538461538 
 assign ( resid 34 and name HB ) ( resid 35 and name HN ) 3.4535 1.50269230769231 1.50269230769231 
 assign ( resid 34 and name HA ) ( resid 35 and name HN ) 3.0487 1.19130769230769 1.19130769230769 
 assign ( resid 34 and name HN ) ( resid 33 and name HN ) 2.4204 0.708 0.708 
 assign ( resid 33 and name HA ) ( resid 34 and name HN ) 3.2484 1.34492307692308 1.34492307692308 
 assign ( resid 32 and name HB2 ) ( resid 33 and name HN ) 3.1673 1.28253846153846 1.28253846153846 
 assign ( resid 32 and name HN ) ( resid 31 and name HN ) 2.4506 0.731230769230769 0.731230769230769 
 assign ( resid 32 and name HN ) ( resid 33 and name HN ) 2.4871 0.759307692307692 0.759307692307692 
 assign ( resid 32 and name HA ) ( resid 33 and name HN ) 3.3500 1.42307692307692 1.42307692307692 
 assign ( resid 31 and name HA ) ( resid 32 and name HN ) 3.6713 1.67023076923077 1.67023076923077 
 assign ( resid 31 and name HB2 ) ( resid 32 and name HN ) 3.5851 1.60392307692308 1.60392307692308 
 assign ( resid 31 and name HN ) ( resid 30 and name HN ) 2.4774 0.751846153846154 0.751846153846154 
 assign ( resid 29 and name HN ) ( resid 30 and name HN ) 2.2435 0.571923076923077 0.571923076923077 
 assign ( resid 29 and name HN ) ( resid 28 and name HN ) 2.5933 0.841 0.841 
 assign ( resid 28 and name HN ) ( resid 27 and name HN ) 2.6323 0.871 0.871 
 assign ( resid 28 and name HB1 ) ( resid 29 and name HN ) 3.3048 1.38830769230769 1.38830769230769 
 assign ( resid 28 and name HB2 ) ( resid 29 and name HN ) 2.7767 0.982076923076923 0.982076923076923 
 assign ( resid 27 and name HB1 ) ( resid 28 and name HN ) 2.6281 0.867769230769231 0.867769230769231 
 assign ( resid 27 and name HB2 ) ( resid 28 and name HN ) 3.0186 1.16815384615385 1.16815384615385 
 assign ( resid 25 and name HN ) ( resid 24 and name HN ) 2.3397 0.645923076923077 0.645923076923077 
 assign ( resid 24 and name HB1 ) ( resid 25 and name HN ) 3.4479 1.49838461538462 1.49838461538462 
 assign ( resid 24 and name HB2 ) ( resid 25 and name HN ) 3.6804 1.67723076923077 1.67723076923077 
 assign ( resid 24 and name HA ) ( resid 25 and name HN ) 3.1533 1.27176923076923 1.27176923076923 
 assign ( resid 23 and name HN ) ( resid 24 and name HN ) 2.8671 1.05161538461538 1.05161538461538 
 assign ( resid 23 and name HA ) ( resid 24 and name HN ) 3.3408 1.416 1.416 
 assign ( resid 22 and name HN ) ( resid 23 and name HN ) 3.4923 1.53253846153846 1.53253846153846 
 assign ( resid 22 and name HA ) ( resid 23 and name HN ) 1.5000 0.5 0.5 
 assign ( resid 22 and name HB2 ) ( resid 23 and name HN ) 3.1442 1.26476923076923 1.26476923076923 
 assign ( resid 21 and name HN ) ( resid 20 and name HN ) 2.8242 1.01861538461538 1.01861538461538 
 assign ( resid 21 and name HA ) ( resid 22 and name HN ) 2.0139 0.5 0.5 
 assign ( resid 21 and name HG ) ( resid 22 and name HN ) 3.3220 1.40153846153846 1.40153846153846 
 assign ( resid 21 and name HB2 ) ( resid 22 and name HN ) 3.1190 1.24538461538462 1.24538461538462 
 assign ( resid 21 and name HB1 ) ( resid 22 and name HN ) 2.7887 0.991307692307692 0.991307692307692 
 assign ( resid 21 and name HD+ ) ( resid 22 and name HN ) 3.3160 1.39692307692308 1.39692307692308 
 assign ( resid 21 and name HD+ ) ( resid 22 and name HN ) 3.6865 1.68192307692308 1.68192307692308 
 assign ( resid 29 and name HA ) ( resid 30 and name HN ) 3.3211 1.40084615384615 1.40084615384615 
 assign ( resid 29 and name HB2 ) ( resid 30 and name HN ) 2.8091 1.007 1.007 
 assign ( resid 29 and name HB1 ) ( resid 30 and name HN ) 3.1061 1.23546153846154 1.23546153846154 
 assign ( resid 29 and name HG ) ( resid 30 and name HN ) 3.6783 1.67561538461538 1.67561538461538 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HN ) 3.9778 1.906 1.906 
 assign ( resid 19 and name HN ) ( resid 20 and name HN ) 2.2781 0.598538461538462 0.598538461538462 
 assign ( resid 19 and name HN ) ( resid 18 and name HN ) 2.4354 0.719538461538462 0.719538461538462 
 assign ( resid 17 and name HN ) ( resid 18 and name HN ) 2.4025 0.694230769230769 0.694230769230769 
 assign ( resid 18 and name HA ) ( resid 19 and name HN ) 3.1871 1.29776923076923 1.29776923076923 
 assign ( resid 19 and name HA ) ( resid 20 and name HN ) 3.1030 1.23307692307692 1.23307692307692 
 assign ( resid 20 and name HA ) ( resid 21 and name HN ) 2.2718 0.593692307692308 0.593692307692308 
 assign ( resid 19 and name HB2 ) ( resid 20 and name HN ) 3.6450 1.65 1.65 
 assign ( resid 19 and name HB1 ) ( resid 20 and name HN ) 3.5943 1.611 1.611 
 assign ( resid 17 and name HN ) ( resid 16 and name HN ) 2.7754 0.981076923076923 0.981076923076923 
 assign ( resid 16 and name HN ) ( resid 17 and name HN ) 2.6100 0.853846153846154 0.853846153846154 
 assign ( resid 16 and name HA ) ( resid 17 and name HN ) 3.5122 1.54784615384615 1.54784615384615 
 assign ( resid 16 and name HB2 ) ( resid 17 and name HN ) 2.8472 1.03630769230769 1.03630769230769 
 assign ( resid 16 and name HB1 ) ( resid 17 and name HN ) 3.1881 1.29853846153846 1.29853846153846 
 assign ( resid 15 and name HN ) ( resid 16 and name HN ) 2.2666 0.589692307692308 0.589692307692308 
 assign ( resid 15 and name HA ) ( resid 16 and name HN ) 3.4275 1.48269230769231 1.48269230769231 
 assign ( resid 15 and name HD+ ) ( resid 16 and name HN ) 3.9078 1.85215384615385 1.85215384615385 
 assign ( resid 15 and name HB1 ) ( resid 16 and name HN ) 2.9910 1.14692307692308 1.14692307692308 
 assign ( resid 15 and name HG ) ( resid 16 and name HN ) 3.4116 1.47046153846154 1.47046153846154 
 assign ( resid 15 and name HB2 ) ( resid 16 and name HN ) 2.5262 0.789384615384616 0.789384615384616 
 assign ( resid 15 and name HN ) ( resid 14 and name HN ) 2.3476 0.652 0.652 
 assign ( resid 14 and name HA ) ( resid 15 and name HN ) 3.1436 1.26430769230769 1.26430769230769 
 assign ( resid 14 and name HB2 ) ( resid 15 and name HN ) 2.6224 0.863384615384615 0.863384615384615 
 assign ( resid 14 and name HN ) ( resid 13 and name HN ) 2.3329 0.640692307692308 0.640692307692308 
 assign ( resid 13 and name HA ) ( resid 14 and name HN ) 3.3694 1.438 1.438 
 assign ( resid 13 and name HB2 ) ( resid 14 and name HN ) 3.0303 1.17715384615385 1.17715384615385 
 assign ( resid 13 and name HB1 ) ( resid 14 and name HN ) 2.9976 1.152 1.152 
 assign ( resid 12 and name HN ) ( resid 13 and name HN ) 2.5968 0.843692307692308 0.843692307692308 
 assign ( resid 12 and name HB2 ) ( resid 13 and name HN ) 3.0984 1.22953846153846 1.22953846153846 
 assign ( resid 12 and name HB1 ) ( resid 13 and name HN ) 3.2518 1.34753846153846 1.34753846153846 
 assign ( resid 11 and name HN ) ( resid 12 and name HN ) 2.7245 0.941923076923077 0.941923076923077 
 assign ( resid 11 and name HA ) ( resid 12 and name HN ) 3.2751 1.36546153846154 1.36546153846154 
 assign ( resid 11 and name HB ) ( resid 12 and name HN ) 2.6059 0.850692307692308 0.850692307692308 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HN ) 3.5048 1.54215384615385 1.54215384615385 
 assign ( resid 11 and name HG12 ) ( resid 12 and name HN ) 3.7150 1.70384615384615 1.70384615384615 
 assign ( resid 9 and name HA ) ( resid 10 and name HN ) 3.1735 1.28730769230769 1.28730769230769 
 assign ( resid 9 and name HB1 ) ( resid 10 and name HN ) 2.7447 0.957461538461538 0.957461538461538 
 assign ( resid 9 and name HN ) ( resid 10 and name HN ) 2.5450 0.803846153846154 0.803846153846154 
 assign ( resid 10 and name HA ) ( resid 11 and name HN ) 3.2026 1.30969230769231 1.30969230769231 
 assign ( resid 9 and name HN ) ( resid 8 and name HN ) 2.4371 0.720846153846154 0.720846153846154 
 assign ( resid 8 and name HA ) ( resid 9 and name HN ) 3.0743 1.211 1.211 
 assign ( resid 8 and name HG2 ) ( resid 9 and name HN ) 3.4173 1.47484615384615 1.47484615384615 
 assign ( resid 7 and name HN ) ( resid 8 and name HN ) 2.8772 1.05938461538462 1.05938461538462 
 assign ( resid 7 and name HB2 ) ( resid 8 and name HN ) 3.2904 1.37723076923077 1.37723076923077 
 assign ( resid 7 and name HB1 ) ( resid 8 and name HN ) 2.9124 1.08646153846154 1.08646153846154 
 assign ( resid 7 and name HA ) ( resid 8 and name HN ) 2.0890 0.5 0.5 
 assign ( resid 6 and name HN ) ( resid 7 and name HN ) 2.7465 0.958846153846154 0.958846153846154 
 assign ( resid 6 and name HB ) ( resid 7 and name HN ) 2.7661 0.973923076923077 0.973923076923077 
 assign ( resid 6 and name HA ) ( resid 7 and name HN ) 1.7637 0.5 0.5 
 assign ( resid 6 and name HD+ ) ( resid 7 and name HN ) 3.3008 1.38523076923077 1.38523076923077 
 assign ( resid 6 and name HN ) ( resid 5 and name HN ) 3.1609 1.27761538461538 1.27761538461538 
 assign ( resid 5 and name HA ) ( resid 6 and name HN ) 1.8304 0.5 0.5 
 assign ( resid 5 and name HB1 ) ( resid 6 and name HN ) 3.3052 1.38861538461538 1.38861538461538 
 assign ( resid 47 and name HA ) ( resid 48 and name HN ) 3.3363 1.41253846153846 1.41253846153846 
 assign ( resid 58 and name HA2 ) ( resid 59 and name HN ) 3.2059 1.31223076923077 1.31223076923077 
 assign ( resid 58 and name HA1 ) ( resid 59 and name HN ) 3.2896 1.37661538461538 1.37661538461538 
 assign ( resid 30 and name HB1 ) ( resid 31 and name HN ) 3.1179 1.24453846153846 1.24453846153846 
 assign ( resid 26 and name HA ) ( resid 27 and name HN ) 1.5422 0.5 0.5 
 assign ( resid 26 and name HA ) ( resid 29 and name HN ) 3.3961 1.45853846153846 1.45853846153846 
 assign ( resid 25 and name HB1 ) ( resid 26 and name HN ) 3.3368 1.41292307692308 1.41292307692308 
 assign ( resid 25 and name HB2 ) ( resid 26 and name HN ) 3.3813 1.44715384615385 1.44715384615385 
 assign ( resid 26 and name HD+ ) ( resid 27 and name HN ) 3.2999 1.38453846153846 1.38453846153846 
 assign ( resid 26 and name HB ) ( resid 27 and name HN ) 2.1346 0.5 0.5 
 assign ( resid 26 and name HB ) ( resid 29 and name HN ) 3.3970 1.45923076923077 1.45923076923077 
 assign ( resid 27 and name HA ) ( resid 28 and name HN ) 3.4953 1.53484615384615 1.53484615384615 
 assign ( resid 26 and name HA ) ( resid 27 and name HA ) 3.7503 1.731 1.731 
 assign ( resid 26 and name HA ) ( resid 27 and name HB2 ) 3.6045 1.61884615384615 1.61884615384615 
 assign ( resid 26 and name HA ) ( resid 27 and name HB1 ) 3.4734 1.518 1.518 
 assign ( resid 17 and name HA ) ( resid 18 and name HN ) 3.6211 1.63161538461538 1.63161538461538 
 assign ( resid 17 and name HB2 ) ( resid 18 and name HN ) 2.6985 0.921923076923077 0.921923076923077 
 assign ( resid 17 and name HB1 ) ( resid 18 and name HN ) 2.8837 1.06438461538462 1.06438461538462 
 assign ( resid 14 and name HA ) ( resid 17 and name HB2 ) 2.6617 0.893615384615384 0.893615384615384 
 assign ( resid 14 and name HA ) ( resid 17 and name HB1 ) 3.0625 1.20192307692308 1.20192307692308 
 assign ( resid 14 and name HA ) ( resid 17 and name HN ) 2.9433 1.11023076923077 1.11023076923077 
 assign ( resid 2 and name HD+ ) ( resid 3 and name HN ) 3.5873 1.60561538461538 1.60561538461538 
 assign ( resid 2 and name HA ) ( resid 3 and name HN ) 2.4752 0.750153846153846 0.750153846153846 
 assign ( resid 35 and name HN ) ( resid 36 and name HN ) 3.0099 1.16146153846154 1.16146153846154 
 assign ( resid 34 and name HA ) ( resid 37 and name HB1 ) 3.4245 1.48038461538462 1.48038461538462 
 assign ( resid 34 and name HA ) ( resid 37 and name HB2 ) 3.3286 1.40661538461538 1.40661538461538 
 assign ( resid 35 and name HG2 ) ( resid 36 and name HN ) 2.5680 0.821538461538462 0.821538461538462 
 assign ( resid 35 and name HG1 ) ( resid 36 and name HN ) 2.9475 1.11346153846154 1.11346153846154 
 assign ( resid 37 and name HA ) ( resid 38 and name HD2 ) 2.8699 1.05376923076923 1.05376923076923 
 assign ( resid 37 and name HA ) ( resid 38 and name HD1 ) 2.8877 1.06746153846154 1.06746153846154 
 assign ( resid 38 and name HD2 ) ( resid 39 and name HN ) 3.4821 1.52469230769231 1.52469230769231 
 assign ( resid 38 and name HD1 ) ( resid 39 and name HN ) 3.0603 1.20023076923077 1.20023076923077 
 assign ( resid 38 and name HA ) ( resid 39 and name HN ) 3.3031 1.387 1.387 
 assign ( resid 38 and name HG2 ) ( resid 39 and name HN ) 3.3606 1.43123076923077 1.43123076923077 
 assign ( resid 38 and name HG1 ) ( resid 39 and name HN ) 3.6801 1.677 1.677 
 assign ( resid 38 and name HB1 ) ( resid 39 and name HN ) 3.1790 1.29153846153846 1.29153846153846 
 assign ( resid 38 and name HB2 ) ( resid 39 and name HN ) 3.6640 1.66461538461538 1.66461538461538 
 assign ( resid 3 and name HA ) ( resid 4 and name HN ) 2.1166 0.5 0.5 
 assign ( resid 3 and name HB2 ) ( resid 4 and name HN ) 3.5042 1.54169230769231 1.54169230769231 
 assign ( resid 3 and name HB1 ) ( resid 4 and name HN ) 3.6706 1.66969230769231 1.66969230769231 
 assign ( resid 31 and name HB1 ) ( resid 32 and name HN ) 3.3997 1.46130769230769 1.46130769230769 
 assign ( resid 49 and name HA ) ( resid 50 and name HN ) 3.4063 1.46638461538462 1.46638461538462 
 assign ( resid 50 and name HA ) ( resid 51 and name HN ) 3.7997 1.769 1.769 
 assign ( resid 18 and name HB2 ) ( resid 19 and name HN ) 3.3866 1.45123076923077 1.45123076923077 
 assign ( resid 18 and name HB1 ) ( resid 19 and name HN ) 3.2656 1.35815384615385 1.35815384615385 
 assign ( resid 18 and name HG2 ) ( resid 19 and name HN ) 3.6466 1.65123076923077 1.65123076923077 
 assign ( resid 18 and name HG1 ) ( resid 19 and name HN ) 3.4767 1.52053846153846 1.52053846153846 
 assign ( resid 9 and name HG1 ) ( resid 10 and name HN ) 3.4296 1.48430769230769 1.48430769230769 
 assign ( resid 9 and name HG2 ) ( resid 10 and name HN ) 3.7951 1.76546153846154 1.76546153846154 
 assign ( resid 8 and name HB2 ) ( resid 9 and name HN ) 3.1085 1.23730769230769 1.23730769230769 
 assign ( resid 9 and name HB2 ) ( resid 10 and name HN ) 2.9364 1.10492307692308 1.10492307692308 
 assign ( resid 49 and name HB1 ) ( resid 50 and name HN ) 3.2898 1.37676923076923 1.37676923076923 
 assign ( resid 49 and name HG2 ) ( resid 50 and name HN ) 3.6825 1.67884615384615 1.67884615384615 
 assign ( resid 49 and name HG1 ) ( resid 50 and name HN ) 3.6865 1.68192307692308 1.68192307692308 
 assign ( resid 49 and name HB2 ) ( resid 50 and name HN ) 2.8342 1.02630769230769 1.02630769230769 
 assign ( resid 31 and name HA ) ( resid 34 and name HN ) 3.2371 1.33623076923077 1.33623076923077 
 assign ( resid 8 and name HA ) ( resid 11 and name HD+ ) 3.0963 1.22792307692308 1.22792307692308 
 assign ( resid 8 and name HA ) ( resid 11 and name HD+ ) 3.5729 1.59453846153846 1.59453846153846 
 assign ( resid 8 and name HA ) ( resid 11 and name HN ) 2.9716 1.132 1.132 
 assign ( resid 54 and name HG2 ) ( resid 55 and name HN ) 3.4502 1.50015384615385 1.50015384615385 
 assign ( resid 10 and name HA ) ( resid 13 and name HN ) 2.9084 1.08338461538462 1.08338461538462 
 assign ( resid 51 and name HA ) ( resid 54 and name HN ) 2.7855 0.988846153846154 0.988846153846154 
 assign ( resid 50 and name HB2 ) ( resid 51 and name HN ) 2.8520 1.04 1.04 
 assign ( resid 50 and name HB1 ) ( resid 51 and name HN ) 3.1881 1.29853846153846 1.29853846153846 
 assign ( resid 57 and name HB1 ) ( resid 58 and name HN ) 3.6024 1.61723076923077 1.61723076923077 
 assign ( resid 55 and name HA ) ( resid 58 and name HN ) 2.7605 0.969615384615385 0.969615384615385 
 assign ( resid 54 and name HA ) ( resid 57 and name HN ) 3.0870 1.22076923076923 1.22076923076923 
 assign ( resid 53 and name HA ) ( resid 56 and name HN ) 3.2023 1.30946153846154 1.30946153846154 
 assign ( resid 48 and name HA ) ( resid 51 and name HN ) 2.7880 0.990769230769231 0.990769230769231 
 assign ( resid 46 and name HA ) ( resid 49 and name HN ) 3.0324 1.17876923076923 1.17876923076923 
 assign ( resid 45 and name HA ) ( resid 47 and name HN ) 3.3549 1.42684615384615 1.42684615384615 
 assign ( resid 22 and name HA ) ( resid 24 and name HN ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 26 and name HB ) ( resid 28 and name HN ) 2.4065 0.697307692307692 0.697307692307692 
 assign ( resid 7 and name HA ) ( resid 10 and name HN ) 3.3764 1.44338461538462 1.44338461538462 
 assign ( resid 7 and name HA ) ( resid 9 and name HN ) 3.3633 1.43330769230769 1.43330769230769 
 assign ( resid 7 and name HA ) ( resid 10 and name HD21 ) 3.4377 1.49053846153846 1.49053846153846 
 assign ( resid 7 and name HA ) ( resid 10 and name HD22 ) 3.7103 1.70023076923077 1.70023076923077 
 assign ( resid 38 and name HA ) ( resid 41 and name HD+ ) 2.9528 1.11753846153846 1.11753846153846 
 assign ( resid 38 and name HA ) ( resid 41 and name HN ) 3.5516 1.57815384615385 1.57815384615385 
 assign ( resid 41 and name HA ) ( resid 43 and name HN ) 3.1015 1.23192307692308 1.23192307692308 
 assign ( resid 39 and name HA ) ( resid 42 and name HN ) 3.2281 1.32930769230769 1.32930769230769 
 assign ( resid 39 and name HA ) ( resid 41 and name HN ) 3.3113 1.39330769230769 1.39330769230769 
 assign ( resid 32 and name HA ) ( resid 35 and name HN ) 3.0558 1.19676923076923 1.19676923076923 
 assign ( resid 29 and name HA ) ( resid 32 and name HN ) 3.3961 1.45853846153846 1.45853846153846 
 assign ( resid 28 and name HB1 ) ( resid 31 and name HN ) 3.4184 1.47569230769231 1.47569230769231 
 assign ( resid 28 and name HB2 ) ( resid 31 and name HN ) 3.0201 1.16930769230769 1.16930769230769 
 assign ( resid 27 and name HA ) ( resid 30 and name HN ) 3.3601 1.43084615384615 1.43084615384615 
 assign ( resid 15 and name HA ) ( resid 18 and name HN ) 3.2229 1.32530769230769 1.32530769230769 
 assign ( resid 13 and name HA ) ( resid 16 and name HN ) 2.4787 0.752846153846154 0.752846153846154 
 assign ( resid 12 and name HA ) ( resid 15 and name HN ) 2.6193 0.861 0.861 
 assign ( resid 12 and name HA ) ( resid 16 and name HN ) 3.1915 1.30115384615385 1.30115384615385 
 assign ( resid 11 and name HA ) ( resid 14 and name HN ) 2.8152 1.01169230769231 1.01169230769231 
 assign ( resid 9 and name HA ) ( resid 12 and name HN ) 3.4250 1.48076923076923 1.48076923076923 
 assign ( resid 6 and name HA ) ( resid 9 and name HN ) 3.4839 1.52607692307692 1.52607692307692 
 assign ( resid 25 and name HA ) ( resid 26 and name HN ) 3.1007 1.23130769230769 1.23130769230769 
 assign ( resid 52 and name HA ) ( resid 55 and name HB2 ) 2.8938 1.07215384615385 1.07215384615385 
 assign ( resid 53 and name HA ) ( resid 56 and name HB1 ) 3.3350 1.41153846153846 1.41153846153846 
 assign ( resid 53 and name HA ) ( resid 56 and name HB2 ) 3.0487 1.19130769230769 1.19130769230769 
 assign ( resid 56 and name HB1 ) ( resid 57 and name HN ) 3.2609 1.35453846153846 1.35453846153846 
 assign ( resid 56 and name HA ) ( resid 59 and name HN ) 3.5878 1.606 1.606 
 assign ( resid 26 and name HA ) ( resid 28 and name HN ) 3.2906 1.37738461538462 1.37738461538462 
 assign ( resid 32 and name HB1 ) ( resid 33 and name HN ) 3.2518 1.34753846153846 1.34753846153846 
 assign ( resid 23 and name HA ) ( resid 25 and name HN ) 3.5508 1.57753846153846 1.57753846153846 
 assign ( resid 6 and name HD+ ) ( resid 8 and name HN ) 3.5263 1.55869230769231 1.55869230769231 
 assign ( resid 50 and name HB1 ) ( resid 27 and name HE1 ) 3.2948 1.38061538461538 1.38061538461538 
 assign ( resid 50 and name HB2 ) ( resid 27 and name HE1 ) 3.8534 1.81030769230769 1.81030769230769 
 assign ( resid 49 and name HB1 ) ( resid 27 and name HE1 ) 3.7844 1.75723076923077 1.75723076923077 
 assign ( resid 49 and name HB2 ) ( resid 27 and name HE1 ) 3.8079 1.77530769230769 1.77530769230769 
 assign ( resid 43 and name HD+ ) ( resid 44 and name HN ) 4.0999 1.99992307692308 1.99992307692308 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HN ) 4.0983 1.99869230769231 1.99869230769231 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HZ ) 3.8676 1.82123076923077 1.82123076923077 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HD+ ) 3.5629 1.58684615384615 1.58684615384615 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HD+ ) 3.6558 1.65830769230769 1.65830769230769 
 assign ( resid 43 and name HB ) ( resid 12 and name HD+ ) 3.5399 1.56915384615385 1.56915384615385 
 assign ( resid 43 and name HB ) ( resid 12 and name HD+ ) 4.0574 1.96723076923077 1.96723076923077 
 assign ( resid 43 and name HB ) ( resid 12 and name HZ ) 2.8966 1.07430769230769 1.07430769230769 
 assign ( resid 16 and name HB1 ) ( resid 56 and name HE1 ) 3.5529 1.57915384615385 1.57915384615385 
 assign ( resid 16 and name HB2 ) ( resid 56 and name HE1 ) 3.4051 1.46546153846154 1.46546153846154 
 assign ( resid 17 and name HB1 ) ( resid 56 and name HE1 ) 3.7883 1.76023076923077 1.76023076923077 
 assign ( resid 17 and name HB2 ) ( resid 56 and name HE1 ) 3.5103 1.54638461538462 1.54638461538462 
 assign ( resid 16 and name HA ) ( resid 56 and name HE1 ) 4.5213 2.32407692307692 2.32407692307692 
 assign ( resid 13 and name HB1 ) ( resid 56 and name HE1 ) 3.7969 1.76684615384615 1.76684615384615 
 assign ( resid 13 and name HB2 ) ( resid 56 and name HE1 ) 3.4196 1.47661538461538 1.47661538461538 
 assign ( resid 14 and name HA ) ( resid 56 and name HE1 ) 3.8058 1.77369230769231 1.77369230769231 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HN ) 3.6224 1.63261538461538 1.63261538461538 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HN ) 3.7974 1.76723076923077 1.76723076923077 
 assign ( resid 37 and name HB1 ) ( resid 39 and name HN ) 3.6938 1.68753846153846 1.68753846153846 
 assign ( resid 37 and name HB2 ) ( resid 39 and name HN ) 3.2228 1.32523076923077 1.32523076923077 
 assign ( resid 47 and name HD+ ) ( resid 46 and name HN ) 3.9726 1.902 1.902 
 assign ( resid 29 and name HD+ ) ( resid 26 and name HN ) 3.4415 1.49346153846154 1.49346153846154 
 assign ( resid 29 and name HB2 ) ( resid 26 and name HN ) 3.1889 1.29915384615385 1.29915384615385 
 assign ( resid 29 and name HB1 ) ( resid 26 and name HN ) 3.7407 1.72361538461538 1.72361538461538 
 assign ( resid 30 and name HG1 ) ( resid 26 and name HN ) 3.4114 1.47030769230769 1.47030769230769 
 assign ( resid 30 and name HG2 ) ( resid 26 and name HN ) 3.4839 1.52607692307692 1.52607692307692 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HN ) 4.0736 1.97969230769231 1.97969230769231 
 assign ( resid 55 and name HB2 ) ( resid 56 and name HN ) 2.3311 0.639307692307692 0.639307692307692 
 assign ( resid 55 and name HG1 ) ( resid 56 and name HN ) 3.7069 1.69761538461538 1.69761538461538 
 assign ( resid 55 and name HG2 ) ( resid 56 and name HN ) 3.8108 1.77753846153846 1.77753846153846 
 assign ( resid 26 and name HD+ ) ( resid 28 and name HN ) 3.5580 1.58307692307692 1.58307692307692 
 assign ( resid 48 and name HB ) ( resid 47 and name HN ) 3.6328 1.64061538461538 1.64061538461538 
 assign ( resid 48 and name HD+ ) ( resid 47 and name HN ) 3.6420 1.64769230769231 1.64769230769231 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HD+ ) 3.7591 1.73776923076923 1.73776923076923 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HD+ ) 3.2292 1.33015384615385 1.33015384615385 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HN ) 3.8690 1.82230769230769 1.82230769230769 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HN ) 3.8495 1.80730769230769 1.80730769230769 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HN ) 3.5328 1.56369230769231 1.56369230769231 
 assign ( resid 30 and name HB2 ) ( resid 31 and name HN ) 3.4346 1.48815384615385 1.48815384615385 
 assign ( resid 37 and name HB1 ) ( resid 40 and name HN ) 3.5033 1.541 1.541 
 assign ( resid 37 and name HB2 ) ( resid 40 and name HN ) 2.4287 0.714384615384615 0.714384615384615 
 assign ( resid 52 and name HD+ ) ( resid 43 and name HD+ ) 4.0336 1.94892307692308 1.94892307692308 
 assign ( resid 52 and name HD+ ) ( resid 43 and name HD+ ) 2.9698 1.13061538461538 1.13061538461538 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HD+ ) 3.1462 1.26630769230769 1.26630769230769 
 assign ( resid 19 and name HB1 ) ( resid 34 and name HD+ ) 3.1264 1.25107692307692 1.25107692307692 
 assign ( resid 19 and name HB2 ) ( resid 34 and name HD+ ) 3.2326 1.33276923076923 1.33276923076923 
 assign ( resid 19 and name HB2 ) ( resid 21 and name HD+ ) 3.2138 1.31830769230769 1.31830769230769 
 assign ( resid 19 and name HB1 ) ( resid 21 and name HD+ ) 3.6208 1.63138461538462 1.63138461538462 
 assign ( resid 21 and name HD+ ) ( resid 34 and name HD+ ) 3.1727 1.28669230769231 1.28669230769231 
 assign ( resid 21 and name HD+ ) ( resid 34 and name HD+ ) 2.8291 1.02238461538462 1.02238461538462 
 assign ( resid 12 and name HA ) ( resid 15 and name HD+ ) 3.3138 1.39523076923077 1.39523076923077 
 assign ( resid 12 and name HA ) ( resid 15 and name HD+ ) 3.7431 1.72546153846154 1.72546153846154 
 assign ( resid 12 and name HA ) ( resid 15 and name HB1 ) 2.9798 1.13830769230769 1.13830769230769 
 assign ( resid 12 and name HA ) ( resid 15 and name HB2 ) 2.5285 0.791153846153846 0.791153846153846 
 assign ( resid 12 and name HA ) ( resid 15 and name HG ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 31 and name HA ) ( resid 34 and name HD+ ) 3.8830 1.83307692307692 1.83307692307692 
 assign ( resid 31 and name HA ) ( resid 34 and name HG11 ) 2.6612 0.893230769230769 0.893230769230769 
 assign ( resid 31 and name HA ) ( resid 34 and name HD+ ) 3.0127 1.16361538461538 1.16361538461538 
 assign ( resid 12 and name HB2 ) ( resid 43 and name HD+ ) 3.9110 1.85461538461538 1.85461538461538 
 assign ( resid 23 and name HA ) ( resid 57 and name HA ) 3.3363 1.41253846153846 1.41253846153846 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HD+ ) 3.3702 1.43861538461538 1.43861538461538 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HD+ ) 3.8184 1.78338461538462 1.78338461538462 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 3.8288 1.79138461538462 1.79138461538462 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 3.9251 1.86546153846154 1.86546153846154 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 4.0746 1.98046153846154 1.98046153846154 
 assign ( resid 11 and name HB ) ( resid 12 and name HD+ ) 3.1604 1.27723076923077 1.27723076923077 
 assign ( resid 11 and name HB ) ( resid 12 and name HD+ ) 3.1526 1.27123076923077 1.27123076923077 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 3.7559 1.73530769230769 1.73530769230769 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 2.7596 0.968923076923077 0.968923076923077 
 assign ( resid 41 and name HA ) ( resid 40 and name HD+ ) 3.6075 1.62115384615385 1.62115384615385 
 assign ( resid 51 and name HA ) ( resid 53 and name HN ) 3.7111 1.70084615384615 1.70084615384615 
 assign ( resid 29 and name HA ) ( resid 31 and name HN ) 3.7089 1.69915384615385 1.69915384615385 
 assign ( resid 38 and name HA ) ( resid 40 and name HN ) 3.5145 1.54961538461538 1.54961538461538 
 assign ( resid 55 and name HA ) ( resid 57 and name HN ) 3.4897 1.53053846153846 1.53053846153846 
 assign ( resid 57 and name HA ) ( resid 23 and name HG1 ) 3.0409 1.18530769230769 1.18530769230769 
 assign ( resid 42 and name HB1 ) ( resid 43 and name HN ) 3.3100 1.39230769230769 1.39230769230769 
 assign ( resid 57 and name HA ) ( resid 23 and name HB2 ) 3.1451 1.26546153846154 1.26546153846154 
 assign ( resid 57 and name HA ) ( resid 23 and name HB1 ) 3.4890 1.53 1.53 
 assign ( resid 57 and name HA ) ( resid 23 and name HD2 ) 3.4890 1.53 1.53 
 assign ( resid 57 and name HA ) ( resid 23 and name HG2 ) 3.6075 1.62115384615385 1.62115384615385 
 assign ( resid 14 and name HA ) ( resid 18 and name HN ) 3.5113 1.54715384615385 1.54715384615385 
 assign ( resid 52 and name HA ) ( resid 56 and name HN ) 3.5497 1.57669230769231 1.57669230769231 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HN ) 3.9819 1.90915384615385 1.90915384615385 
 assign ( resid 9 and name HA ) ( resid 13 and name HN ) 3.4834 1.52569230769231 1.52569230769231 
 assign ( resid 17 and name HN ) ( resid 56 and name HE1 ) 3.1829 1.29453846153846 1.29453846153846 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HE1 ) 3.8643 1.81869230769231 1.81869230769231 
 assign ( resid 16 and name HN ) ( resid 56 and name HE1 ) 3.8383 1.79869230769231 1.79869230769231 
 assign ( resid 16 and name HN ) ( resid 18 and name HN ) 3.4860 1.52769230769231 1.52769230769231 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HN ) 3.6296 1.63815384615385 1.63815384615385 
 assign ( resid 50 and name HN ) ( resid 27 and name HE1 ) 3.7889 1.76069230769231 1.76069230769231 
 assign ( resid 29 and name HN ) ( resid 27 and name HN ) 3.3986 1.46046153846154 1.46046153846154 
 assign ( resid 41 and name HN ) ( resid 39 and name HN ) 3.6406 1.64661538461538 1.64661538461538 
 assign ( resid 48 and name HN ) ( resid 46 and name HN ) 3.6133 1.62561538461538 1.62561538461538 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HN ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 13 and name HZ ) ( resid 56 and name HN ) 3.2127 1.31746153846154 1.31746153846154 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HN ) 3.2725 1.36346153846154 1.36346153846154 
 assign ( resid 30 and name HN ) ( resid 28 and name HN ) 3.8050 1.77307692307692 1.77307692307692 
 assign ( resid 11 and name HN ) ( resid 13 and name HN ) 3.4986 1.53738461538462 1.53738461538462 
 assign ( resid 12 and name HD+ ) ( resid 13 and name HN ) 3.8566 1.81276923076923 1.81276923076923 
 assign ( resid 15 and name HN ) ( resid 13 and name HN ) 3.5766 1.59738461538462 1.59738461538462 
 assign ( resid 16 and name HD+ ) ( resid 13 and name HN ) 3.9976 1.92123076923077 1.92123076923077 
 assign ( resid 25 and name HN ) ( resid 26 and name HN ) 3.8206 1.78507692307692 1.78507692307692 
 assign ( resid 29 and name HN ) ( resid 26 and name HN ) 3.4838 1.526 1.526 
 assign ( resid 24 and name HD+ ) ( resid 23 and name HN ) 3.8220 1.78615384615385 1.78615384615385 
 assign ( resid 25 and name HN ) ( resid 23 and name HN ) 3.6804 1.67723076923077 1.67723076923077 
 assign ( resid 5 and name HN ) ( resid 8 and name HN ) 2.9117 1.08592307692308 1.08592307692308 
 assign ( resid 29 and name HN ) ( resid 31 and name HN ) 3.3463 1.42023076923077 1.42023076923077 
 assign ( resid 33 and name HN ) ( resid 31 and name HN ) 3.7299 1.71530769230769 1.71530769230769 
 assign ( resid 49 and name HN ) ( resid 47 and name HN ) 3.3768 1.44369230769231 1.44369230769231 
 assign ( resid 32 and name HN ) ( resid 30 and name HN ) 3.8358 1.79676923076923 1.79676923076923 
 assign ( resid 41 and name HD+ ) ( resid 40 and name HN ) 3.9406 1.87738461538462 1.87738461538462 
 assign ( resid 42 and name HN ) ( resid 40 and name HN ) 3.5823 1.60176923076923 1.60176923076923 
 assign ( resid 27 and name HE3 ) ( resid 30 and name HN ) 3.7997 1.769 1.769 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HN ) 3.7711 1.747 1.747 
 assign ( resid 51 and name HN ) ( resid 53 and name HN ) 3.6830 1.67923076923077 1.67923076923077 
 assign ( resid 56 and name HE3 ) ( resid 57 and name HN ) 3.0099 1.16146153846154 1.16146153846154 
 assign ( resid 56 and name HZ3 ) ( resid 57 and name HN ) 3.7094 1.69953846153846 1.69953846153846 
 assign ( resid 14 and name HN ) ( resid 16 and name HN ) 3.8020 1.77076923076923 1.77076923076923 
 assign ( resid 19 and name HD+ ) ( resid 20 and name HN ) 3.9586 1.89123076923077 1.89123076923077 
 assign ( resid 13 and name HZ ) ( resid 55 and name HN ) 3.8992 1.84553846153846 1.84553846153846 
 assign ( resid 19 and name HN ) ( resid 17 and name HN ) 3.2413 1.33946153846154 1.33946153846154 
 assign ( resid 15 and name HN ) ( resid 17 and name HN ) 3.5827 1.60207692307692 1.60207692307692 
 assign ( resid 16 and name HD+ ) ( resid 17 and name HN ) 3.7694 1.74569230769231 1.74569230769231 
 assign ( resid 12 and name HZ ) ( resid 42 and name HN ) 3.4679 1.51376923076923 1.51376923076923 
 assign ( resid 49 and name HN ) ( resid 50 and name HN ) 2.6979 0.921461538461538 0.921461538461538 
 assign ( resid 48 and name HN ) ( resid 50 and name HN ) 3.2657 1.35823076923077 1.35823076923077 
 assign ( resid 49 and name HE ) ( resid 27 and name HZ2 ) 3.1411 1.26238461538462 1.26238461538462 
 assign ( resid 40 and name HD+ ) ( resid 27 and name HZ2 ) 3.2793 1.36869230769231 1.36869230769231 
 assign ( resid 40 and name HZ ) ( resid 27 and name HZ2 ) 2.9539 1.11838461538462 1.11838461538462 
 assign ( resid 13 and name HD+ ) ( resid 14 and name HN ) 4.0352 1.95015384615385 1.95015384615385 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HN ) 3.1962 1.30476923076923 1.30476923076923 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HN ) 3.4190 1.47615384615385 1.47615384615385 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HD+ ) 3.7893 1.761 1.761 
 assign ( resid 10 and name HD22 ) ( resid 13 and name HD+ ) 3.7628 1.74061538461538 1.74061538461538 
 assign ( resid 10 and name HD22 ) ( resid 13 and name HZ ) 3.1829 1.29453846153846 1.29453846153846 
 assign ( resid 25 and name HB1 ) ( resid 30 and name HE22 ) 3.3235 1.40269230769231 1.40269230769231 
 assign ( resid 25 and name HB2 ) ( resid 30 and name HE22 ) 3.2449 1.34223076923077 1.34223076923077 
 assign ( resid 58 and name HN ) ( resid 56 and name HN ) 3.5423 1.571 1.571 
 assign ( resid 27 and name HH2 ) ( resid 40 and name HD+ ) 2.9411 1.10853846153846 1.10853846153846 
 assign ( resid 27 and name HH2 ) ( resid 40 and name HZ ) 3.5989 1.61453846153846 1.61453846153846 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HD+ ) 3.1239 1.24915384615385 1.24915384615385 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HD+ ) 3.9659 1.89684615384615 1.89684615384615 
 assign ( resid 38 and name HA ) ( resid 41 and name HD+ ) 3.7160 1.70461538461538 1.70461538461538 
 assign ( resid 52 and name HA ) ( resid 13 and name HD+ ) 3.4440 1.49538461538462 1.49538461538462 
 assign ( resid 56 and name HA ) ( resid 13 and name HD+ ) 3.7549 1.73453846153846 1.73453846153846 
 assign ( resid 56 and name HB2 ) ( resid 13 and name HD+ ) 3.8619 1.81684615384615 1.81684615384615 
 assign ( resid 52 and name HB2 ) ( resid 13 and name HD+ ) 3.5483 1.57561538461538 1.57561538461538 
 assign ( resid 56 and name HB1 ) ( resid 13 and name HD+ ) 3.5952 1.61169230769231 1.61169230769231 
 assign ( resid 55 and name HB2 ) ( resid 13 and name HD+ ) 3.8842 1.834 1.834 
 assign ( resid 52 and name HB1 ) ( resid 13 and name HD+ ) 3.3525 1.425 1.425 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 4.1917 2.07053846153846 2.07053846153846 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 3.3071 1.39007692307692 1.39007692307692 
 assign ( resid 9 and name HG1 ) ( resid 13 and name HD+ ) 3.6265 1.63576923076923 1.63576923076923 
 assign ( resid 9 and name HG2 ) ( resid 13 and name HD+ ) 3.8534 1.81030769230769 1.81030769230769 
 assign ( resid 25 and name HB1 ) ( resid 30 and name HE21 ) 3.4236 1.47969230769231 1.47969230769231 
 assign ( resid 25 and name HB2 ) ( resid 30 and name HE21 ) 3.6002 1.61553846153846 1.61553846153846 
 assign ( resid 49 and name HA ) ( resid 27 and name HZ2 ) 3.7461 1.72776923076923 1.72776923076923 
 assign ( resid 49 and name HB1 ) ( resid 27 and name HZ2 ) 2.9616 1.12430769230769 1.12430769230769 
 assign ( resid 49 and name HB2 ) ( resid 27 and name HZ2 ) 2.9045 1.08038461538462 1.08038461538462 
 assign ( resid 49 and name HG1 ) ( resid 27 and name HZ2 ) 3.6837 1.67976923076923 1.67976923076923 
 assign ( resid 49 and name HD2 ) ( resid 27 and name HZ2 ) 2.9544 1.11876923076923 1.11876923076923 
 assign ( resid 49 and name HD1 ) ( resid 27 and name HZ2 ) 3.1691 1.28392307692308 1.28392307692308 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 4.2159 2.08915384615385 2.08915384615385 
 assign ( resid 52 and name HD+ ) ( resid 13 and name HD+ ) 3.7613 1.73946153846154 1.73946153846154 
 assign ( resid 56 and name HA ) ( resid 13 and name HD+ ) 4.1323 2.02484615384615 2.02484615384615 
 assign ( resid 56 and name HB1 ) ( resid 13 and name HD+ ) 3.4342 1.48784615384615 1.48784615384615 
 assign ( resid 55 and name HB2 ) ( resid 13 and name HD+ ) 4.0649 1.973 1.973 
 assign ( resid 52 and name HB1 ) ( resid 13 and name HD+ ) 3.6918 1.686 1.686 
 assign ( resid 9 and name HG2 ) ( resid 13 and name HD+ ) 4.1168 2.01292307692308 2.01292307692308 
 assign ( resid 34 and name HA ) ( resid 19 and name HD+ ) 3.8181 1.78315384615385 1.78315384615385 
 assign ( resid 15 and name HA ) ( resid 19 and name HD+ ) 3.3980 1.46 1.46 
 assign ( resid 18 and name HB1 ) ( resid 19 and name HD+ ) 3.3455 1.41961538461538 1.41961538461538 
 assign ( resid 18 and name HB2 ) ( resid 19 and name HD+ ) 3.4655 1.51192307692308 1.51192307692308 
 assign ( resid 34 and name HB ) ( resid 19 and name HD+ ) 3.5808 1.60061538461538 1.60061538461538 
 assign ( resid 18 and name HG2 ) ( resid 19 and name HD+ ) 3.4248 1.48061538461538 1.48061538461538 
 assign ( resid 18 and name HD2 ) ( resid 19 and name HD+ ) 3.5818 1.60138461538462 1.60138461538462 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 4.1647 2.04976923076923 2.04976923076923 
 assign ( resid 15 and name HD+ ) ( resid 19 and name HD+ ) 3.1363 1.25869230769231 1.25869230769231 
 assign ( resid 18 and name HG1 ) ( resid 19 and name HD+ ) 3.4024 1.46338461538462 1.46338461538462 
 assign ( resid 34 and name HB ) ( resid 19 and name HD+ ) 3.9541 1.88776923076923 1.88776923076923 
 assign ( resid 18 and name HD2 ) ( resid 19 and name HD+ ) 3.8370 1.79769230769231 1.79769230769231 
 assign ( resid 34 and name HA ) ( resid 19 and name HD+ ) 3.6825 1.67884615384615 1.67884615384615 
 assign ( resid 37 and name HB1 ) ( resid 19 and name HD+ ) 3.4707 1.51592307692308 1.51592307692308 
 assign ( resid 37 and name HB2 ) ( resid 19 and name HD+ ) 3.6260 1.63538461538462 1.63538461538462 
 assign ( resid 52 and name HD+ ) ( resid 9 and name HN ) 3.9080 1.85230769230769 1.85230769230769 
 assign ( resid 23 and name HA ) ( resid 56 and name HZ3 ) 2.9118 1.086 1.086 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HZ3 ) 2.3632 0.664 0.664 
 assign ( resid 21 and name HB1 ) ( resid 56 and name HZ3 ) 3.1864 1.29723076923077 1.29723076923077 
 assign ( resid 21 and name HB2 ) ( resid 56 and name HZ3 ) 2.8627 1.04823076923077 1.04823076923077 
 assign ( resid 56 and name HB2 ) ( resid 16 and name HD+ ) 3.2895 1.37653846153846 1.37653846153846 
 assign ( resid 13 and name HA ) ( resid 56 and name HZ3 ) 2.1710 0.516153846153846 0.516153846153846 
 assign ( resid 13 and name HB2 ) ( resid 56 and name HZ3 ) 3.6175 1.62884615384615 1.62884615384615 
 assign ( resid 56 and name HB1 ) ( resid 16 and name HD+ ) 3.1044 1.23415384615385 1.23415384615385 
 assign ( resid 21 and name HG ) ( resid 56 and name HZ3 ) 3.2561 1.35084615384615 1.35084615384615 
 assign ( resid 15 and name HB2 ) ( resid 16 and name HD+ ) 3.9241 1.86469230769231 1.86469230769231 
 assign ( resid 15 and name HB1 ) ( resid 16 and name HD+ ) 3.9533 1.88715384615385 1.88715384615385 
 assign ( resid 15 and name HD+ ) ( resid 16 and name HD+ ) 3.8327 1.79438461538462 1.79438461538462 
 assign ( resid 18 and name HA ) ( resid 19 and name HD+ ) 4.0899 1.99223076923077 1.99223076923077 
 assign ( resid 56 and name HA ) ( resid 13 and name HZ ) 3.3724 1.44030769230769 1.44030769230769 
 assign ( resid 9 and name HD2 ) ( resid 13 and name HZ ) 3.6790 1.67615384615385 1.67615384615385 
 assign ( resid 55 and name HG2 ) ( resid 13 and name HZ ) 3.5845 1.60346153846154 1.60346153846154 
 assign ( resid 55 and name HB2 ) ( resid 13 and name HZ ) 2.6059 0.850692307692308 0.850692307692308 
 assign ( resid 55 and name HG1 ) ( resid 13 and name HZ ) 3.1218 1.24753846153846 1.24753846153846 
 assign ( resid 9 and name HG2 ) ( resid 13 and name HZ ) 3.7190 1.70692307692308 1.70692307692308 
 assign ( resid 10 and name HA ) ( resid 14 and name HN ) 3.3394 1.41492307692308 1.41492307692308 
 assign ( resid 17 and name HB2 ) ( resid 56 and name HZ2 ) 3.5376 1.56738461538462 1.56738461538462 
 assign ( resid 17 and name HB1 ) ( resid 56 and name HZ2 ) 3.4546 1.50353846153846 1.50353846153846 
 assign ( resid 13 and name HB2 ) ( resid 56 and name HD1 ) 2.5124 0.778769230769231 0.778769230769231 
 assign ( resid 13 and name HA ) ( resid 56 and name HD1 ) 2.4739 0.749153846153846 0.749153846153846 
 assign ( resid 13 and name HB1 ) ( resid 56 and name HD1 ) 3.0561 1.197 1.197 
 assign ( resid 12 and name HB1 ) ( resid 56 and name HZ3 ) 3.7430 1.72538461538462 1.72538461538462 
 assign ( resid 15 and name HG ) ( resid 16 and name HD+ ) 3.5230 1.55615384615385 1.55615384615385 
 assign ( resid 16 and name HB1 ) ( resid 56 and name HZ2 ) 3.5987 1.61438461538462 1.61438461538462 
 assign ( resid 16 and name HB2 ) ( resid 56 and name HZ2 ) 3.6213 1.63176923076923 1.63176923076923 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HH2 ) 3.9001 1.84623076923077 1.84623076923077 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HH2 ) 3.9478 1.88292307692308 1.88292307692308 
 assign ( resid 21 and name HB1 ) ( resid 56 and name HH2 ) 3.3029 1.38684615384615 1.38684615384615 
 assign ( resid 21 and name HB2 ) ( resid 56 and name HH2 ) 2.9288 1.09907692307692 1.09907692307692 
 assign ( resid 21 and name HG ) ( resid 56 and name HH2 ) 3.6855 1.68115384615385 1.68115384615385 
 assign ( resid 23 and name HE2 ) ( resid 56 and name HZ2 ) 3.4974 1.53646153846154 1.53646153846154 
 assign ( resid 15 and name HB1 ) ( resid 12 and name HD+ ) 4.0548 1.96523076923077 1.96523076923077 
 assign ( resid 15 and name HB2 ) ( resid 12 and name HD+ ) 4.0610 1.97 1.97 
 assign ( resid 42 and name HB2 ) ( resid 12 and name HD+ ) 4.0565 1.96653846153846 1.96653846153846 
 assign ( resid 42 and name HB2 ) ( resid 12 and name HD+ ) 3.3402 1.41553846153846 1.41553846153846 
 assign ( resid 42 and name HB2 ) ( resid 12 and name HZ ) 3.5961 1.61238461538462 1.61238461538462 
 assign ( resid 42 and name HB1 ) ( resid 12 and name HZ ) 3.7934 1.76415384615385 1.76415384615385 
 assign ( resid 43 and name HG12 ) ( resid 12 and name HD+ ) 3.4075 1.46730769230769 1.46730769230769 
 assign ( resid 43 and name HG12 ) ( resid 12 and name HD+ ) 3.8473 1.80561538461538 1.80561538461538 
 assign ( resid 43 and name HG12 ) ( resid 12 and name HZ ) 3.6136 1.62584615384615 1.62584615384615 
 assign ( resid 43 and name HG11 ) ( resid 12 and name HD+ ) 3.2935 1.37961538461538 1.37961538461538 
 assign ( resid 43 and name HG11 ) ( resid 12 and name HD+ ) 4.1249 2.01915384615385 2.01915384615385 
 assign ( resid 43 and name HG11 ) ( resid 12 and name HZ ) 3.3486 1.422 1.422 
 assign ( resid 5 and name HB2 ) ( resid 6 and name HN ) 3.3982 1.46015384615385 1.46015384615385 
 assign ( resid 53 and name HB2 ) ( resid 27 and name HZ3 ) 3.3129 1.39453846153846 1.39453846153846 
 assign ( resid 53 and name HB1 ) ( resid 27 and name HZ3 ) 2.9437 1.11053846153846 1.11053846153846 
 assign ( resid 53 and name HB2 ) ( resid 27 and name HE3 ) 3.2863 1.37407692307692 1.37407692307692 
 assign ( resid 53 and name HB1 ) ( resid 27 and name HE3 ) 2.8096 1.00738461538462 1.00738461538462 
 assign ( resid 49 and name HD2 ) ( resid 27 and name HH2 ) 3.5727 1.59438461538462 1.59438461538462 
 assign ( resid 49 and name HD1 ) ( resid 27 and name HH2 ) 3.2204 1.32338461538462 1.32338461538462 
 assign ( resid 49 and name HB2 ) ( resid 27 and name HH2 ) 3.5789 1.59915384615385 1.59915384615385 
 assign ( resid 49 and name HB1 ) ( resid 27 and name HH2 ) 3.1440 1.26461538461538 1.26461538461538 
 assign ( resid 49 and name HG1 ) ( resid 27 and name HH2 ) 3.3453 1.41946153846154 1.41946153846154 
 assign ( resid 49 and name HG2 ) ( resid 27 and name HH2 ) 3.7131 1.70238461538462 1.70238461538462 
 assign ( resid 50 and name HB2 ) ( resid 27 and name HD1 ) 3.1731 1.287 1.287 
 assign ( resid 50 and name HB1 ) ( resid 27 and name HD1 ) 2.7187 0.937461538461539 0.937461538461539 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HD+ ) 3.2985 1.38346153846154 1.38346153846154 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HD+ ) 3.9654 1.89646153846154 1.89646153846154 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HD+ ) 4.0496 1.96123076923077 1.96123076923077 
 assign ( resid 34 and name HB ) ( resid 40 and name HD+ ) 3.3510 1.42384615384615 1.42384615384615 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HD+ ) 2.9571 1.12084615384615 1.12084615384615 
 assign ( resid 34 and name HG11 ) ( resid 40 and name HD+ ) 3.6325 1.64038461538462 1.64038461538462 
 assign ( resid 34 and name HG12 ) ( resid 40 and name HD+ ) 3.2353 1.33484615384615 1.33484615384615 
 assign ( resid 28 and name HB1 ) ( resid 30 and name HN ) 3.7160 1.70461538461538 1.70461538461538 
 assign ( resid 10 and name HA ) ( resid 13 and name HD+ ) 3.6279 1.63684615384615 1.63684615384615 
 assign ( resid 26 and name HD+ ) ( resid 29 and name HN ) 3.6875 1.68269230769231 1.68269230769231 
 assign ( resid 11 and name HA ) ( resid 15 and name HN ) 3.6010 1.61615384615385 1.61615384615385 
 assign ( resid 56 and name HB1 ) ( resid 16 and name HD+ ) 3.5207 1.55438461538462 1.55438461538462 
 assign ( resid 56 and name HB2 ) ( resid 16 and name HD+ ) 3.6758 1.67369230769231 1.67369230769231 
 assign ( resid 56 and name HA ) ( resid 13 and name HD+ ) 4.1323 2.02484615384615 2.02484615384615 
 assign ( resid 53 and name HA ) ( resid 56 and name HE3 ) 3.3707 1.439 1.439 
 assign ( resid 9 and name HD1 ) ( resid 10 and name HD22 ) 3.1061 1.23546153846154 1.23546153846154 
 assign ( resid 9 and name HD2 ) ( resid 10 and name HD22 ) 2.9238 1.09523076923077 1.09523076923077 
 assign ( resid 9 and name HB1 ) ( resid 10 and name HD22 ) 3.7253 1.71176923076923 1.71176923076923 
 assign ( resid 9 and name HG1 ) ( resid 10 and name HD22 ) 3.0654 1.20415384615385 1.20415384615385 
 assign ( resid 43 and name HB ) ( resid 49 and name HE ) 3.6393 1.64561538461538 1.64561538461538 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HE ) 3.9664 1.89723076923077 1.89723076923077 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HE21 ) 3.9066 1.85123076923077 1.85123076923077 
 assign ( resid 29 and name HB1 ) ( resid 30 and name HE21 ) 3.6406 1.64661538461538 1.64661538461538 
 assign ( resid 29 and name HB2 ) ( resid 30 and name HE21 ) 3.5632 1.58707692307692 1.58707692307692 
 assign ( resid 29 and name HB2 ) ( resid 30 and name HE22 ) 3.3342 1.41092307692308 1.41092307692308 
 assign ( resid 29 and name HD+ ) ( resid 30 and name HE22 ) 3.9588 1.89138461538462 1.89138461538462 
 assign ( resid 29 and name HB1 ) ( resid 30 and name HE22 ) 3.3066 1.38969230769231 1.38969230769231 
 assign ( resid 31 and name HB2 ) ( resid 40 and name HZ ) 3.1729 1.28684615384615 1.28684615384615 
 assign ( resid 31 and name HB2 ) ( resid 40 and name HD+ ) 3.4154 1.47338461538462 1.47338461538462 
 assign ( resid 34 and name HG12 ) ( resid 40 and name HZ ) 3.3898 1.45369230769231 1.45369230769231 
 assign ( resid 31 and name HB1 ) ( resid 40 and name HD+ ) 3.4692 1.51476923076923 1.51476923076923 
 assign ( resid 52 and name HB1 ) ( resid 16 and name HD+ ) 3.2865 1.37423076923077 1.37423076923077 
 assign ( resid 52 and name HB2 ) ( resid 16 and name HD+ ) 3.6170 1.62846153846154 1.62846153846154 
 assign ( resid 53 and name HB2 ) ( resid 16 and name HZ ) 3.3983 1.46023076923077 1.46023076923077 
 assign ( resid 53 and name HB1 ) ( resid 16 and name HZ ) 3.0511 1.19315384615385 1.19315384615385 
 assign ( resid 9 and name HA ) ( resid 12 and name HD+ ) 3.8896 1.83815384615385 1.83815384615385 
 assign ( resid 8 and name HA ) ( resid 12 and name HD+ ) 3.7823 1.75561538461538 1.75561538461538 
 assign ( resid 50 and name HG2 ) ( resid 51 and name HN ) 3.2318 1.33215384615385 1.33215384615385 
 assign ( resid 50 and name HG2 ) ( resid 27 and name HD1 ) 3.1931 1.30238461538462 1.30238461538462 
 assign ( resid 50 and name HG2 ) ( resid 27 and name HE3 ) 3.4699 1.51530769230769 1.51530769230769 
 assign ( resid 11 and name HD+ ) ( resid 15 and name HN ) 3.8864 1.83569230769231 1.83569230769231 
 assign ( resid 35 and name HG2 ) ( resid 40 and name HD+ ) 3.5840 1.60307692307692 1.60307692307692 
 assign ( resid 16 and name HB1 ) ( resid 56 and name HH2 ) 3.6953 1.68869230769231 1.68869230769231 
 assign ( resid 31 and name HB2 ) ( resid 27 and name HZ2 ) 3.4699 1.51530769230769 1.51530769230769 
 assign ( resid 31 and name HB1 ) ( resid 27 and name HZ2 ) 3.5835 1.60269230769231 1.60269230769231 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HN ) 3.8121 1.77853846153846 1.77853846153846 
 assign ( resid 21 and name HG ) ( resid 34 and name HD+ ) 3.7883 1.76023076923077 1.76023076923077 
 assign ( resid 16 and name HA ) ( resid 15 and name HB2 ) 3.2565 1.35115384615385 1.35115384615385 
 assign ( resid 19 and name HA ) ( resid 34 and name HD+ ) 3.8937 1.84130769230769 1.84130769230769 
 assign ( resid 15 and name HD+ ) ( resid 34 and name HD+ ) 3.6686 1.66815384615385 1.66815384615385 
 assign ( resid 15 and name HG ) ( resid 34 and name HD+ ) 3.1847 1.29592307692308 1.29592307692308 
 assign ( resid 15 and name HD+ ) ( resid 34 and name HD+ ) 3.3133 1.39484615384615 1.39484615384615 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HD+ ) 3.2434 1.34107692307692 1.34107692307692 
 assign ( resid 7 and name HA ) ( resid 6 and name HD+ ) 3.8495 1.80730769230769 1.80730769230769 
 assign ( resid 39 and name HA ) ( resid 11 and name HD+ ) 3.7063 1.69715384615385 1.69715384615385 
 assign ( resid 39 and name HB2 ) ( resid 11 and name HD+ ) 3.5055 1.54269230769231 1.54269230769231 
 assign ( resid 39 and name HB1 ) ( resid 11 and name HD+ ) 2.9939 1.14915384615385 1.14915384615385 
 assign ( resid 39 and name HB2 ) ( resid 15 and name HD+ ) 3.4582 1.50630769230769 1.50630769230769 
 assign ( resid 39 and name HB1 ) ( resid 15 and name HD+ ) 3.5533 1.57946153846154 1.57946153846154 
 assign ( resid 39 and name HB2 ) ( resid 15 and name HD+ ) 3.2519 1.34761538461538 1.34761538461538 
 assign ( resid 39 and name HB1 ) ( resid 15 and name HD+ ) 3.3997 1.46130769230769 1.46130769230769 
 assign ( resid 40 and name HA ) ( resid 15 and name HD+ ) 3.8123 1.77869230769231 1.77869230769231 
 assign ( resid 40 and name HA ) ( resid 15 and name HD+ ) 3.1810 1.29307692307692 1.29307692307692 
 assign ( resid 40 and name HB1 ) ( resid 15 and name HD+ ) 4.0610 1.97 1.97 
 assign ( resid 40 and name HB1 ) ( resid 15 and name HD+ ) 3.8872 1.83630769230769 1.83630769230769 
 assign ( resid 37 and name HB1 ) ( resid 15 and name HD+ ) 3.4479 1.49838461538462 1.49838461538462 
 assign ( resid 37 and name HB2 ) ( resid 15 and name HD+ ) 3.3519 1.42453846153846 1.42453846153846 
 assign ( resid 37 and name HB1 ) ( resid 15 and name HD+ ) 3.9940 1.91846153846154 1.91846153846154 
 assign ( resid 37 and name HB2 ) ( resid 15 and name HD+ ) 3.8872 1.83630769230769 1.83630769230769 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.3175 1.39807692307692 1.39807692307692 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.3798 1.446 1.446 
 assign ( resid 11 and name HD+ ) ( resid 15 and name HD+ ) 3.9201 1.86161538461538 1.86161538461538 
 assign ( resid 43 and name HD+ ) ( resid 52 and name HD+ ) 3.9333 1.87176923076923 1.87176923076923 
 assign ( resid 9 and name HG2 ) ( resid 52 and name HD+ ) 3.7238 1.71061538461538 1.71061538461538 
 assign ( resid 12 and name HB2 ) ( resid 52 and name HD+ ) 3.1531 1.27161538461538 1.27161538461538 
 assign ( resid 9 and name HA ) ( resid 52 and name HD+ ) 2.9239 1.09530769230769 1.09530769230769 
 assign ( resid 9 and name HA ) ( resid 52 and name HD+ ) 3.0944 1.22646153846154 1.22646153846154 
 assign ( resid 9 and name HG2 ) ( resid 52 and name HD+ ) 2.8139 1.01069230769231 1.01069230769231 
 assign ( resid 8 and name HB2 ) ( resid 52 and name HD+ ) 3.6098 1.62292307692308 1.62292307692308 
 assign ( resid 8 and name HB2 ) ( resid 52 and name HD+ ) 3.8395 1.79961538461538 1.79961538461538 
 assign ( resid 45 and name HB2 ) ( resid 43 and name HD+ ) 3.4352 1.48861538461538 1.48861538461538 
 assign ( resid 45 and name HB1 ) ( resid 43 and name HD+ ) 3.6784 1.67569230769231 1.67569230769231 
 assign ( resid 45 and name HB2 ) ( resid 48 and name HD+ ) 3.2839 1.37223076923077 1.37223076923077 
 assign ( resid 45 and name HB1 ) ( resid 48 and name HD+ ) 3.2838 1.37215384615385 1.37215384615385 
 assign ( resid 51 and name HB2 ) ( resid 48 and name HD+ ) 3.7426 1.72507692307692 1.72507692307692 
 assign ( resid 51 and name HB2 ) ( resid 48 and name HD+ ) 3.7377 1.72130769230769 1.72130769230769 
 assign ( resid 34 and name HA ) ( resid 15 and name HD+ ) 3.8982 1.84476923076923 1.84476923076923 
 assign ( resid 9 and name HB2 ) ( resid 52 and name HD+ ) 4.0413 1.95484615384615 1.95484615384615 
 assign ( resid 9 and name HB1 ) ( resid 52 and name HD+ ) 3.9936 1.91815384615385 1.91815384615385 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 3.1197 1.24592307692308 1.24592307692308 
 assign ( resid 48 and name HB ) ( resid 43 and name HD+ ) 2.8268 1.02061538461538 1.02061538461538 
 assign ( resid 15 and name HB1 ) ( resid 11 and name HD+ ) 3.8420 1.80153846153846 1.80153846153846 
 assign ( resid 9 and name HA ) ( resid 12 and name HB1 ) 3.5833 1.60253846153846 1.60253846153846 
 assign ( resid 9 and name HA ) ( resid 12 and name HB2 ) 3.3143 1.39561538461538 1.39561538461538 
 assign ( resid 15 and name HG ) ( resid 11 and name HD+ ) 3.9796 1.90738461538462 1.90738461538462 
 assign ( resid 42 and name HB2 ) ( resid 11 and name HD+ ) 3.6017 1.61669230769231 1.61669230769231 
 assign ( resid 42 and name HG1 ) ( resid 11 and name HD+ ) 3.8527 1.80976923076923 1.80976923076923 
 assign ( resid 42 and name HG2 ) ( resid 11 and name HD+ ) 3.2300 1.33076923076923 1.33076923076923 
 assign ( resid 42 and name HE2 ) ( resid 11 and name HD+ ) 3.8098 1.77676923076923 1.77676923076923 
 assign ( resid 42 and name HB1 ) ( resid 11 and name HD+ ) 3.1165 1.24346153846154 1.24346153846154 
 assign ( resid 30 and name HA ) ( resid 33 and name HG2 ) 3.4258 1.48138461538462 1.48138461538462 
 assign ( resid 30 and name HA ) ( resid 33 and name HB2 ) 3.6146 1.62661538461538 1.62661538461538 
 assign ( resid 28 and name HB2 ) ( resid 26 and name HD+ ) 3.8524 1.80953846153846 1.80953846153846 
 assign ( resid 30 and name HA ) ( resid 21 and name HD+ ) 3.6791 1.67623076923077 1.67623076923077 
 assign ( resid 30 and name HA ) ( resid 21 and name HD+ ) 3.9889 1.91453846153846 1.91453846153846 
 assign ( resid 30 and name HB2 ) ( resid 21 and name HD+ ) 3.0770 1.21307692307692 1.21307692307692 
 assign ( resid 30 and name HB2 ) ( resid 21 and name HD+ ) 2.8838 1.06446153846154 1.06446153846154 
 assign ( resid 30 and name HG2 ) ( resid 21 and name HD+ ) 3.2348 1.33446153846154 1.33446153846154 
 assign ( resid 30 and name HG2 ) ( resid 21 and name HD+ ) 3.6411 1.647 1.647 
 assign ( resid 18 and name HD1 ) ( resid 19 and name HD+ ) 3.5922 1.60938461538462 1.60938461538462 
 assign ( resid 8 and name HB2 ) ( resid 12 and name HD+ ) 3.9720 1.90153846153846 1.90153846153846 
 assign ( resid 6 and name HD+ ) ( resid 8 and name HN ) 4.0919 1.99376923076923 1.99376923076923 
 assign ( resid 6 and name HD+ ) ( resid 7 and name HN ) 3.9835 1.91038461538462 1.91038461538462 
 assign ( resid 51 and name HA ) ( resid 54 and name HG1 ) 3.0081 1.16007692307692 1.16007692307692 
 assign ( resid 10 and name HA ) ( resid 13 and name HB1 ) 2.8667 1.05130769230769 1.05130769230769 
 assign ( resid 10 and name HA ) ( resid 13 and name HB2 ) 3.0976 1.22892307692308 1.22892307692308 
 assign ( resid 54 and name HA ) ( resid 57 and name HB1 ) 3.4105 1.46961538461538 1.46961538461538 
 assign ( resid 54 and name HA ) ( resid 57 and name HB2 ) 3.0307 1.17746153846154 1.17746153846154 
 assign ( resid 39 and name HA ) ( resid 42 and name HG1 ) 3.1517 1.27053846153846 1.27053846153846 
 assign ( resid 39 and name HA ) ( resid 42 and name HG2 ) 2.7563 0.966384615384615 0.966384615384615 
 assign ( resid 39 and name HA ) ( resid 42 and name HB2 ) 3.5672 1.59015384615385 1.59015384615385 
 assign ( resid 44 and name HA ) ( resid 43 and name HD+ ) 3.9339 1.87223076923077 1.87223076923077 
 assign ( resid 29 and name HA ) ( resid 32 and name HG1 ) 2.5360 0.796923076923077 0.796923076923077 
 assign ( resid 16 and name HA ) ( resid 21 and name HD+ ) 3.6792 1.67630769230769 1.67630769230769 
 assign ( resid 16 and name HA ) ( resid 21 and name HD+ ) 2.9579 1.12146153846154 1.12146153846154 
 assign ( resid 56 and name HA ) ( resid 59 and name HG2 ) 3.3097 1.39207692307692 1.39207692307692 
 assign ( resid 39 and name HA ) ( resid 42 and name HE2 ) 3.2325 1.33269230769231 1.33269230769231 
 assign ( resid 28 and name HB2 ) ( resid 31 and name HA ) 3.6550 1.65769230769231 1.65769230769231 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HB1 ) 3.5154 1.55030769230769 1.55030769230769 
 assign ( resid 7 and name HA ) ( resid 10 and name HB2 ) 3.3145 1.39576923076923 1.39576923076923 
 assign ( resid 5 and name HB1 ) ( resid 6 and name HD+ ) 3.9287 1.86823076923077 1.86823076923077 
 assign ( resid 26 and name HB ) ( resid 28 and name HB2 ) 3.4775 1.52115384615385 1.52115384615385 
 assign ( resid 45 and name HA ) ( resid 46 and name HB1 ) 3.5262 1.55861538461538 1.55861538461538 
 assign ( resid 45 and name HA ) ( resid 46 and name HB2 ) 3.5349 1.56530769230769 1.56530769230769 
 assign ( resid 30 and name HA ) ( resid 33 and name HE2 ) 3.6686 1.66815384615385 1.66815384615385 
 assign ( resid 30 and name HA ) ( resid 33 and name HD2 ) 3.6732 1.67169230769231 1.67169230769231 
 assign ( resid 26 and name HB ) ( resid 27 and name HB1 ) 3.6905 1.685 1.685 
 assign ( resid 38 and name HA ) ( resid 41 and name HB1 ) 3.8649 1.81915384615385 1.81915384615385 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HD+ ) 3.6960 1.68923076923077 1.68923076923077 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HD+ ) 3.7327 1.71746153846154 1.71746153846154 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HG12 ) 3.4848 1.52676923076923 1.52676923076923 
 assign ( resid 57 and name HA ) ( resid 23 and name HD1 ) 3.1460 1.26615384615385 1.26615384615385 
 assign ( resid 35 and name HB2 ) ( resid 36 and name HN ) 3.2997 1.38438461538462 1.38438461538462 
 assign ( resid 6 and name HG12 ) ( resid 7 and name HN ) 3.6006 1.61584615384615 1.61584615384615 
 assign ( resid 6 and name HG11 ) ( resid 7 and name HN ) 3.6979 1.69069230769231 1.69069230769231 
 assign ( resid 23 and name HE2 ) ( resid 56 and name HH2 ) 3.5925 1.60961538461538 1.60961538461538 
 assign ( resid 35 and name HG2 ) ( resid 40 and name HZ ) 3.6415 1.64730769230769 1.64730769230769 
 assign ( resid 14 and name HG2 ) ( resid 15 and name HN ) 3.7632 1.74092307692308 1.74092307692308 
 assign ( resid 14 and name HG1 ) ( resid 15 and name HN ) 3.8050 1.77307692307692 1.77307692307692 
 assign ( resid 6 and name HA ) ( resid 9 and name HB1 ) 3.5138 1.54907692307692 1.54907692307692 
 assign ( resid 6 and name HA ) ( resid 9 and name HB2 ) 3.5709 1.593 1.593 
 assign ( resid 51 and name HB2 ) ( resid 48 and name HA ) 2.5160 0.781538461538462 0.781538461538462 
 assign ( resid 13 and name HA ) ( resid 56 and name HE1 ) 3.4338 1.48753846153846 1.48753846153846 
 assign ( resid 40 and name HA ) ( resid 12 and name HZ ) 2.5754 0.827230769230769 0.827230769230769 
 assign ( resid 43 and name HG11 ) ( resid 44 and name HN ) 3.6369 1.64376923076923 1.64376923076923 
 assign ( resid 41 and name HB2 ) ( resid 42 and name HN ) 3.7467 1.72823076923077 1.72823076923077 
 assign ( resid 16 and name HA ) ( resid 21 and name HN ) 3.5492 1.57630769230769 1.57630769230769 
 assign ( resid 52 and name HD+ ) ( resid 53 and name HN ) 4.0574 1.96723076923077 1.96723076923077 
 assign ( resid 35 and name HG2 ) ( resid 40 and name HD+ ) 3.0299 1.17684615384615 1.17684615384615 
 assign ( resid 50 and name HG1 ) ( resid 51 and name HN ) 3.5997 1.61515384615385 1.61515384615385 
 assign ( resid 50 and name HG1 ) ( resid 27 and name HD1 ) 2.8273 1.021 1.021 
 assign ( resid 46 and name HA ) ( resid 49 and name HE ) 2.8098 1.00753846153846 1.00753846153846 
 assign ( resid 49 and name HA ) ( resid 52 and name HN ) 3.4279 1.483 1.483 
 assign ( resid 18 and name HA ) ( resid 19 and name HD+ ) 3.8462 1.80476923076923 1.80476923076923 
 assign ( resid 43 and name HN ) ( resid 12 and name HZ ) 3.1812 1.29323076923077 1.29323076923077 
 assign ( resid 19 and name HB2 ) ( resid 21 and name HD+ ) 3.6420 1.64769230769231 1.64769230769231 
 assign ( resid 18 and name HA ) ( resid 20 and name HN ) 3.3039 1.38761538461538 1.38761538461538 
 assign ( resid 30 and name HG2 ) ( resid 21 and name HG ) 3.5624 1.58646153846154 1.58646153846154 
 assign ( resid 30 and name HG1 ) ( resid 21 and name HG ) 3.3277 1.40592307692308 1.40592307692308 
 assign ( resid 21 and name HG ) ( resid 30 and name HB1 ) 2.5888 0.837538461538461 0.837538461538461 
 assign ( resid 22 and name HB2 ) ( resid 24 and name HN ) 3.4365 1.48961538461538 1.48961538461538 
 assign ( resid 23 and name HG1 ) ( resid 56 and name HZ3 ) 3.1710 1.28538461538462 1.28538461538462 
 assign ( resid 21 and name HD+ ) ( resid 23 and name HZ1 ) 3.5436 1.572 1.572 
 assign ( resid 21 and name HB1 ) ( resid 23 and name HZ1 ) 3.4929 1.533 1.533 
 assign ( resid 21 and name HB2 ) ( resid 23 and name HZ1 ) 3.6275 1.63653846153846 1.63653846153846 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HD+ ) 3.4013 1.46253846153846 1.46253846153846 
 assign ( resid 34 and name HD+ ) ( resid 40 and name HZ ) 3.6784 1.67569230769231 1.67569230769231 
 assign ( resid 31 and name HB2 ) ( resid 40 and name HD+ ) 3.9316 1.87046153846154 1.87046153846154 
 assign ( resid 31 and name HB1 ) ( resid 40 and name HD+ ) 3.4849 1.52684615384615 1.52684615384615 
 assign ( resid 29 and name HA ) ( resid 32 and name HG2 ) 3.2763 1.36638461538462 1.36638461538462 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HZ ) 3.7354 1.71953846153846 1.71953846153846 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HD+ ) 3.8291 1.79161538461538 1.79161538461538 
 assign ( resid 16 and name HD+ ) ( resid 13 and name HD+ ) 3.5677 1.59053846153846 1.59053846153846 
 assign ( resid 10 and name HD22 ) ( resid 9 and name HE ) 2.5445 0.803461538461539 0.803461538461539 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HZ ) 3.9162 1.85861538461538 1.85861538461538 
 assign ( resid 40 and name HB2 ) ( resid 15 and name HD+ ) 3.7738 1.74907692307692 1.74907692307692 
 assign ( resid 40 and name HB2 ) ( resid 15 and name HD+ ) 3.7841 1.757 1.757 
 assign ( resid 49 and name HA ) ( resid 52 and name HD+ ) 3.2282 1.32938461538462 1.32938461538462 
 assign ( resid 11 and name HA ) ( resid 14 and name HB2 ) 2.8860 1.06615384615385 1.06615384615385 
 assign ( resid 13 and name HA ) ( resid 16 and name HB2 ) 3.4239 1.47992307692308 1.47992307692308 
 assign ( resid 15 and name HA ) ( resid 18 and name HB1 ) 3.6305 1.63884615384615 1.63884615384615 
 assign ( resid 15 and name HA ) ( resid 18 and name HB2 ) 3.2065 1.31269230769231 1.31269230769231 
 assign ( resid 31 and name HA ) ( resid 34 and name HG12 ) 2.7123 0.932538461538461 0.932538461538461 
 assign ( resid 52 and name HA ) ( resid 55 and name HN ) 2.8162 1.01246153846154 1.01246153846154 
 assign ( resid 46 and name HA ) ( resid 49 and name HD2 ) 3.2293 1.33023076923077 1.33023076923077 
 assign ( resid 46 and name HA ) ( resid 49 and name HD1 ) 3.5439 1.57223076923077 1.57223076923077 
 assign ( resid 46 and name HA ) ( resid 49 and name HB2 ) 2.8777 1.05976923076923 1.05976923076923 
 assign ( resid 46 and name HA ) ( resid 49 and name HG2 ) 3.1565 1.27423076923077 1.27423076923077 
 assign ( resid 46 and name HA ) ( resid 49 and name HG1 ) 3.6305 1.63884615384615 1.63884615384615 
 assign ( resid 46 and name HA ) ( resid 49 and name HB1 ) 2.8871 1.067 1.067 
 assign ( resid 49 and name HA ) ( resid 52 and name HB1 ) 3.0612 1.20092307692308 1.20092307692308 
 assign ( resid 49 and name HA ) ( resid 52 and name HB2 ) 3.2892 1.37630769230769 1.37630769230769 
 assign ( resid 51 and name HA ) ( resid 54 and name HB1 ) 3.3494 1.42261538461538 1.42261538461538 
 assign ( resid 51 and name HA ) ( resid 54 and name HG2 ) 3.3949 1.45761538461538 1.45761538461538 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HG11 ) 3.5906 1.60815384615385 1.60815384615385 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HD+ ) 3.8227 1.78669230769231 1.78669230769231 
 assign ( resid 56 and name HB2 ) ( resid 13 and name HD+ ) 3.9245 1.865 1.865 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 2.9040 1.08 1.08 
 assign ( resid 19 and name HB1 ) ( resid 21 and name HD+ ) 3.3946 1.45738461538462 1.45738461538462 
 assign ( resid 45 and name HB2 ) ( resid 48 and name HD+ ) 3.3958 1.45830769230769 1.45830769230769 
 assign ( resid 34 and name HG12 ) ( resid 40 and name HD+ ) 3.4692 1.51476923076923 1.51476923076923 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HN ) 3.3973 1.45946153846154 1.45946153846154 
 assign ( resid 43 and name HD+ ) ( resid 45 and name HN ) 2.7621 0.970846153846154 0.970846153846154 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 3.1470 1.26692307692308 1.26692307692308 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 3.7521 1.73238461538462 1.73238461538462 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 3.0894 1.22261538461538 1.22261538461538 
 assign ( resid 16 and name HA ) ( resid 34 and name HD+ ) 3.6973 1.69023076923077 1.69023076923077 
 assign ( resid 20 and name HG2 ) ( resid 21 and name HN ) 4.5606 2.35430769230769 2.35430769230769 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HN ) 3.6606 1.662 1.662 
 assign ( resid 23 and name HG2 ) ( resid 56 and name HZ3 ) 3.0286 1.17584615384615 1.17584615384615 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HZ ) 3.8271 1.79007692307692 1.79007692307692 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HN ) 3.7426 1.72507692307692 1.72507692307692 
 assign ( resid 45 and name HB2 ) ( resid 48 and name HB ) 3.2654 1.358 1.358 
 assign ( resid 43 and name HG12 ) ( resid 44 and name HN ) 3.9318 1.87061538461538 1.87061538461538 
 assign ( resid 43 and name HB ) ( resid 44 and name HN ) 3.3607 1.43130769230769 1.43130769230769 
 assign ( resid 16 and name HZ ) ( resid 53 and name HN ) 2.9965 1.15115384615385 1.15115384615385 
 assign ( resid 52 and name HD+ ) ( resid 16 and name HZ ) 3.8230 1.78692307692308 1.78692307692308 
 assign ( resid 57 and name HA ) ( resid 56 and name HE3 ) 3.2095 1.315 1.315 
 assign ( resid 33 and name HA ) ( resid 34 and name HD+ ) 3.9499 1.88453846153846 1.88453846153846 
 assign ( resid 31 and name HA ) ( resid 40 and name HD+ ) 3.5398 1.56907692307692 1.56907692307692 
 assign ( resid 6 and name HD+ ) ( resid 9 and name HN ) 3.7336 1.71815384615385 1.71815384615385 
 assign ( resid 6 and name HD+ ) ( resid 9 and name HN ) 3.8080 1.77538461538462 1.77538461538462 
 assign ( resid 52 and name HD+ ) ( resid 9 and name HN ) 3.7323 1.71715384615385 1.71715384615385 
 assign ( resid 9 and name HB2 ) ( resid 52 and name HD+ ) 3.2609 1.35453846153846 1.35453846153846 
 assign ( resid 9 and name HB1 ) ( resid 52 and name HD+ ) 3.1978 1.306 1.306 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HD+ ) 3.4490 1.49923076923077 1.49923076923077 
 assign ( resid 12 and name HA ) ( resid 11 and name HD+ ) 3.3871 1.45161538461538 1.45161538461538 
 assign ( resid 49 and name HA ) ( resid 43 and name HD+ ) 3.6959 1.68915384615385 1.68915384615385 
 assign ( resid 49 and name HG2 ) ( resid 43 and name HD+ ) 3.8617 1.81669230769231 1.81669230769231 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HD+ ) 3.5643 1.58792307692308 1.58792307692308 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HG12 ) 3.3188 1.39907692307692 1.39907692307692 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HG11 ) 3.4023 1.46330769230769 1.46330769230769 
 assign ( resid 12 and name HB1 ) ( resid 43 and name HD+ ) 3.9183 1.86023076923077 1.86023076923077 
 assign ( resid 48 and name HB ) ( resid 43 and name HD+ ) 3.6607 1.66207692307692 1.66207692307692 
 assign ( resid 8 and name HG2 ) ( resid 43 and name HD+ ) 3.8830 1.83307692307692 1.83307692307692 
 assign ( resid 8 and name HB2 ) ( resid 43 and name HD+ ) 3.8048 1.77292307692308 1.77292307692308 
 assign ( resid 8 and name HG2 ) ( resid 52 and name HD+ ) 3.1831 1.29469230769231 1.29469230769231 
 assign ( resid 52 and name HD+ ) ( resid 16 and name HD+ ) 4.0891 1.99161538461538 1.99161538461538 
 assign ( resid 52 and name HB1 ) ( resid 16 and name HZ ) 2.7198 0.938307692307692 0.938307692307692 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HD+ ) 4.3653 2.20407692307692 2.20407692307692 
 assign ( resid 9 and name HG1 ) ( resid 13 and name HZ ) 3.1071 1.23623076923077 1.23623076923077 
 assign ( resid 12 and name HB1 ) ( resid 52 and name HD+ ) 3.1190 1.24538461538462 1.24538461538462 
 assign ( resid 12 and name HB1 ) ( resid 52 and name HD+ ) 3.6739 1.67223076923077 1.67223076923077 
 assign ( resid 12 and name HB2 ) ( resid 52 and name HD+ ) 3.6009 1.61607692307692 1.61607692307692 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HD+ ) 3.0174 1.16723076923077 1.16723076923077 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 3.9329 1.87146153846154 1.87146153846154 
 assign ( resid 34 and name HD+ ) ( resid 35 and name HN ) 3.7225 1.70961538461538 1.70961538461538 
 assign ( resid 34 and name HA ) ( resid 15 and name HD+ ) 3.4618 1.50907692307692 1.50907692307692 
 assign ( resid 16 and name HA ) ( resid 34 and name HD+ ) 3.9339 1.87223076923077 1.87223076923077 
 assign ( resid 31 and name HB2 ) ( resid 34 and name HD+ ) 3.9864 1.91261538461538 1.91261538461538 
 assign ( resid 35 and name HG1 ) ( resid 34 and name HD+ ) 3.4271 1.48238461538462 1.48238461538462 
 assign ( resid 35 and name HB2 ) ( resid 34 and name HD+ ) 3.3813 1.44715384615385 1.44715384615385 
 assign ( resid 35 and name HG2 ) ( resid 34 and name HD+ ) 3.1740 1.28769230769231 1.28769230769231 
 assign ( resid 34 and name HG11 ) ( resid 40 and name HD+ ) 3.8405 1.80038461538462 1.80038461538462 
 assign ( resid 17 and name HA ) ( resid 19 and name HN ) 2.8517 1.03976923076923 1.03976923076923 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HD+ ) 3.8288 1.79138461538462 1.79138461538462 
 assign ( resid 49 and name HA ) ( resid 43 and name HD+ ) 3.7400 1.72307692307692 1.72307692307692 
 assign ( resid 15 and name HB2 ) ( resid 11 and name HD+ ) 3.5204 1.55415384615385 1.55415384615385 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HD+ ) 3.7325 1.71730769230769 1.71730769230769 
 assign ( resid 49 and name HD2 ) ( resid 12 and name HZ ) 3.7150 1.70384615384615 1.70384615384615 
 assign ( resid 49 and name HD1 ) ( resid 12 and name HZ ) 3.3337 1.41053846153846 1.41053846153846 
 assign ( resid 23 and name HB2 ) ( resid 56 and name HZ3 ) 3.5443 1.57253846153846 1.57253846153846 
 assign ( resid 40 and name HA ) ( resid 12 and name HD+ ) 3.9690 1.89923076923077 1.89923076923077 
 assign ( resid 49 and name HA ) ( resid 12 and name HD+ ) 3.8521 1.80930769230769 1.80930769230769 
 assign ( resid 46 and name HA ) ( resid 48 and name HN ) 3.5158 1.55061538461538 1.55061538461538 
 assign ( resid 28 and name HB2 ) ( resid 27 and name HD1 ) 3.7045 1.69576923076923 1.69576923076923 
 assign ( resid 28 and name HB1 ) ( resid 27 and name HD1 ) 3.1174 1.24415384615385 1.24415384615385 
 assign ( resid 34 and name HD+ ) ( resid 27 and name HH2 ) 2.9504 1.11569230769231 1.11569230769231 
 assign ( resid 34 and name HD+ ) ( resid 27 and name HZ2 ) 4.0141 1.93392307692308 1.93392307692308 
 assign ( resid 31 and name HB2 ) ( resid 27 and name HH2 ) 3.4221 1.47853846153846 1.47853846153846 
 assign ( resid 31 and name HB1 ) ( resid 27 and name HH2 ) 3.1921 1.30161538461538 1.30161538461538 
 assign ( resid 31 and name HA ) ( resid 40 and name HD+ ) 3.6125 1.625 1.625 
 assign ( resid 31 and name HA ) ( resid 27 and name HH2 ) 3.5124 1.548 1.548 
 assign ( resid 46 and name HA ) ( resid 27 and name HZ2 ) 3.5597 1.58438461538462 1.58438461538462 
 assign ( resid 46 and name HA ) ( resid 50 and name HN ) 3.4402 1.49246153846154 1.49246153846154 
 assign ( resid 20 and name HB1 ) ( resid 21 and name HN ) 3.7578 1.73676923076923 1.73676923076923 
 assign ( resid 20 and name HB2 ) ( resid 21 and name HN ) 3.1540 1.27230769230769 1.27230769230769 
 assign ( resid 20 and name HN ) ( resid 18 and name HN ) 3.4851 1.527 1.527 
 assign ( resid 36 and name HA ) ( resid 41 and name HD+ ) 3.6260 1.63538461538462 1.63538461538462 
 assign ( resid 52 and name HB2 ) ( resid 13 and name HD+ ) 3.6946 1.68815384615385 1.68815384615385 
 assign ( resid 49 and name HG1 ) ( resid 43 and name HD+ ) 2.3115 0.624230769230769 0.624230769230769 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HD+ ) 4.2026 2.07892307692308 2.07892307692308 
 assign ( resid 52 and name HB2 ) ( resid 16 and name HZ ) 2.7773 0.982538461538461 0.982538461538461 
 assign ( resid 53 and name HA ) ( resid 16 and name HZ ) 3.6406 1.64661538461538 1.64661538461538 
 assign ( resid 53 and name HA ) ( resid 27 and name HZ3 ) 3.2806 1.36969230769231 1.36969230769231 
 assign ( resid 40 and name HA ) ( resid 12 and name HD+ ) 3.0247 1.17284615384615 1.17284615384615 
 assign ( resid 28 and name HA ) ( resid 29 and name HN ) 3.2550 1.35 1.35 
 assign ( resid 49 and name HA ) ( resid 12 and name HD+ ) 3.9959 1.91992307692308 1.91992307692308 
 assign ( resid 49 and name HD2 ) ( resid 12 and name HD+ ) 3.8811 1.83161538461538 1.83161538461538 
 assign ( resid 49 and name HD1 ) ( resid 12 and name HD+ ) 3.2600 1.35384615384615 1.35384615384615 
 assign ( resid 49 and name HB2 ) ( resid 12 and name HD+ ) 3.7072 1.69784615384615 1.69784615384615 
 assign ( resid 49 and name HB2 ) ( resid 12 and name HD+ ) 3.4467 1.49746153846154 1.49746153846154 
 assign ( resid 49 and name HG2 ) ( resid 12 and name HD+ ) 4.3006 2.15430769230769 2.15430769230769 
 assign ( resid 49 and name HG2 ) ( resid 12 and name HD+ ) 3.7369 1.72069230769231 1.72069230769231 
 assign ( resid 49 and name HB1 ) ( resid 12 and name HD+ ) 3.6991 1.69161538461538 1.69161538461538 
 assign ( resid 49 and name HB1 ) ( resid 12 and name HD+ ) 4.0078 1.92907692307692 1.92907692307692 
 assign ( resid 49 and name HG1 ) ( resid 12 and name HD+ ) 3.8323 1.79407692307692 1.79407692307692 
 assign ( resid 49 and name HG1 ) ( resid 12 and name HD+ ) 4.5334 2.33338461538462 2.33338461538462 
 assign ( resid 49 and name HB2 ) ( resid 43 and name HD+ ) 3.4682 1.514 1.514 
 assign ( resid 49 and name HG2 ) ( resid 27 and name HZ2 ) 3.7583 1.73715384615385 1.73715384615385 
 assign ( resid 40 and name HB1 ) ( resid 41 and name HN ) 3.0288 1.176 1.176 
 assign ( resid 40 and name HB2 ) ( resid 41 and name HN ) 3.0307 1.17746153846154 1.17746153846154 
 assign ( resid 28 and name HB2 ) ( resid 33 and name HN ) 3.5613 1.58561538461538 1.58561538461538 
 assign ( resid 28 and name HB1 ) ( resid 33 and name HN ) 3.7243 1.711 1.711 
 assign ( resid 28 and name HB2 ) ( resid 32 and name HN ) 3.4172 1.47476923076923 1.47476923076923 
 assign ( resid 28 and name HB1 ) ( resid 32 and name HN ) 2.6645 0.895769230769231 0.895769230769231 
 assign ( resid 33 and name HA ) ( resid 35 and name HN ) 3.6320 1.64 1.64 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HN ) 3.3790 1.44538461538462 1.44538461538462 
 assign ( resid 36 and name HA ) ( resid 37 and name HN ) 3.0976 1.22892307692308 1.22892307692308 
 assign ( resid 48 and name HA ) ( resid 52 and name HN ) 3.7365 1.72038461538462 1.72038461538462 
 assign ( resid 52 and name HA ) ( resid 16 and name HD+ ) 3.9461 1.88161538461538 1.88161538461538 
 assign ( resid 8 and name HG2 ) ( resid 12 and name HD+ ) 3.7899 1.76146153846154 1.76146153846154 
 assign ( resid 42 and name HG2 ) ( resid 12 and name HD+ ) 4.6153 2.39638461538462 2.39638461538462 
 assign ( resid 42 and name HB1 ) ( resid 12 and name HD+ ) 2.9610 1.12384615384615 1.12384615384615 
 assign ( resid 42 and name HG2 ) ( resid 12 and name HD+ ) 4.6153 2.39638461538462 2.39638461538462 
 assign ( resid 30 and name HG1 ) ( resid 23 and name HZ1 ) 2.7393 0.953307692307692 0.953307692307692 
 assign ( resid 30 and name HG2 ) ( resid 23 and name HZ1 ) 3.1496 1.26892307692308 1.26892307692308 
 assign ( resid 21 and name HG ) ( resid 23 and name HZ1 ) 4.0307 1.94669230769231 1.94669230769231 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HD+ ) 4.0378 1.95215384615385 1.95215384615385 
 assign ( resid 34 and name HD+ ) ( resid 33 and name HN ) 3.8837 1.83361538461538 1.83361538461538 
 assign ( resid 34 and name HG11 ) ( resid 33 and name HN ) 3.3325 1.40961538461538 1.40961538461538 
 assign ( resid 16 and name HD+ ) ( resid 13 and name HD+ ) 3.6338 1.64138461538462 1.64138461538462 
 assign ( resid 40 and name HD+ ) ( resid 12 and name HZ ) 3.5180 1.55230769230769 1.55230769230769 
 assign ( resid 40 and name HD+ ) ( resid 12 and name HD+ ) 4.2176 2.09046153846154 2.09046153846154 
 assign ( resid 40 and name HD+ ) ( resid 12 and name HD+ ) 4.1911 2.07007692307692 2.07007692307692 
 assign ( resid 27 and name HA ) ( resid 31 and name HN ) 3.4340 1.48769230769231 1.48769230769231 
 assign ( resid 28 and name HB1 ) ( resid 26 and name HD+ ) 3.7992 1.76861538461538 1.76861538461538 
 assign ( resid 27 and name HA ) ( resid 26 and name HD+ ) 3.9493 1.88407692307692 1.88407692307692 
 assign ( resid 28 and name HB2 ) ( resid 30 and name HN ) 3.1179 1.24453846153846 1.24453846153846 
 assign ( resid 28 and name HA ) ( resid 30 and name HN ) 4.2993 2.15330769230769 2.15330769230769 
 assign ( resid 27 and name HA ) ( resid 29 and name HN ) 3.9658 1.89676923076923 1.89676923076923 
 assign ( resid 49 and name HA ) ( resid 27 and name HH2 ) 3.5441 1.57238461538462 1.57238461538462 
 assign ( resid 48 and name HD+ ) ( resid 43 and name HD+ ) 2.6012 0.847076923076923 0.847076923076923 
 assign ( resid 48 and name HA ) ( resid 43 and name HD+ ) 3.8903 1.83869230769231 1.83869230769231 
 assign ( resid 48 and name HA ) ( resid 43 and name HD+ ) 3.9692 1.89938461538462 1.89938461538462 
 assign ( resid 28 and name HA ) ( resid 31 and name HN ) 3.6040 1.61846153846154 1.61846153846154 
 assign ( resid 49 and name HD2 ) ( resid 40 and name HD+ ) 3.9650 1.89615384615385 1.89615384615385 
 assign ( resid 49 and name HD1 ) ( resid 40 and name HD+ ) 3.7701 1.74623076923077 1.74623076923077 
 assign ( resid 49 and name HD2 ) ( resid 40 and name HZ ) 3.4060 1.46615384615385 1.46615384615385 
 assign ( resid 49 and name HD1 ) ( resid 40 and name HZ ) 3.2096 1.31507692307692 1.31507692307692 
 assign ( resid 49 and name HD1 ) ( resid 40 and name HD+ ) 3.4993 1.53792307692308 1.53792307692308 
 assign ( resid 49 and name HD2 ) ( resid 40 and name HD+ ) 3.8778 1.82907692307692 1.82907692307692 
 assign ( resid 33 and name HB2 ) ( resid 34 and name HN ) 3.3693 1.43792307692308 1.43792307692308 
 assign ( resid 33 and name HB1 ) ( resid 34 and name HN ) 3.2588 1.35292307692308 1.35292307692308 
 assign ( resid 33 and name HG2 ) ( resid 34 and name HN ) 3.7615 1.73961538461538 1.73961538461538 
 assign ( resid 37 and name HN ) ( resid 39 and name HN ) 3.7054 1.69646153846154 1.69646153846154 
 assign ( resid 28 and name HB1 ) ( resid 31 and name HA ) 3.7168 1.70523076923077 1.70523076923077 
 assign ( resid 26 and name HB ) ( resid 28 and name HB1 ) 3.6953 1.68869230769231 1.68869230769231 
 assign ( resid 26 and name HB ) ( resid 27 and name HA ) 3.8064 1.77415384615385 1.77415384615385 
 assign ( resid 52 and name HD+ ) ( resid 16 and name HD+ ) 4.2303 2.10023076923077 2.10023076923077 
 assign ( resid 48 and name HD+ ) ( resid 52 and name HN ) 3.5532 1.57938461538462 1.57938461538462 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HD+ ) 4.0287 1.94515384615385 1.94515384615385 
 assign ( resid 16 and name HZ ) ( resid 52 and name HN ) 3.7215 1.70884615384615 1.70884615384615 
 assign ( resid 15 and name HA ) ( resid 17 and name HN ) 3.4702 1.51553846153846 1.51553846153846 
 assign ( resid 30 and name HA ) ( resid 31 and name HN ) 3.5975 1.61346153846154 1.61346153846154 
 assign ( resid 34 and name HB ) ( resid 15 and name HD+ ) 3.0030 1.15615384615385 1.15615384615385 
 assign ( resid 30 and name HB1 ) ( resid 23 and name HZ1 ) 3.4593 1.50715384615385 1.50715384615385 
 assign ( resid 30 and name HB2 ) ( resid 23 and name HZ1 ) 3.5586 1.58353846153846 1.58353846153846 
 assign ( resid 6 and name HN ) ( resid 8 and name HN ) 3.7877 1.75976923076923 1.75976923076923 
 assign ( resid 10 and name HB2 ) ( resid 11 and name HN ) 2.7477 0.959769230769231 0.959769230769231 
 assign ( resid 21 and name HD+ ) ( resid 23 and name HZ1 ) 3.8190 1.78384615384615 1.78384615384615 
 assign ( resid 21 and name HD+ ) ( resid 56 and name HZ3 ) 3.3728 1.44061538461538 1.44061538461538 
 assign ( resid 21 and name HA ) ( resid 22 and name HB2 ) 3.2279 1.32915384615385 1.32915384615385 
 assign ( resid 25 and name HB2 ) ( resid 22 and name HB2 ) 2.6115 0.855 0.855 
 assign ( resid 25 and name HB1 ) ( resid 22 and name HB2 ) 2.5535 0.810384615384615 0.810384615384615 
 assign ( resid 22 and name HB2 ) ( resid 25 and name HN ) 3.1668 1.28215384615385 1.28215384615385 
 assign ( resid 23 and name HG2 ) ( resid 56 and name HH2 ) 3.7446 1.72661538461538 1.72661538461538 
 assign ( resid 23 and name HG1 ) ( resid 56 and name HH2 ) 3.7456 1.72738461538462 1.72738461538462 
 assign ( resid 30 and name HE22 ) ( resid 26 and name HN ) 3.5544 1.58030769230769 1.58030769230769 
 assign ( resid 59 and name HB2 ) ( resid 57 and name HN ) 2.6574 0.890307692307692 0.890307692307692 
 assign ( resid 21 and name HG ) ( resid 19 and name HN ) 3.7256 1.712 1.712 
 assign ( resid 38 and name HA ) ( resid 41 and name HA ) 6.0000 3.46153846153846 3.46153846153846 
 assign ( resid 38 and name HA ) ( resid 41 and name HB2 ) 6.0000 3.46153846153846 3.46153846153846 
 assign ( resid 41 and name HB1 ) ( resid 42 and name HN ) 6.0000 3.46153846153846 3.46153846153846 
 !From xeasy noes, file 2D-noesy-D2O-vers4-integr 
assign ( resid 16 and name HN ) ( resid 17 and name HN ) 3.0203 1.16946153846154 1.16946153846154 
 assign ( resid 17 and name HN ) ( resid 16 and name HN ) 3.8179 1.783 1.783 
 assign ( resid 16 and name HN ) ( resid 15 and name HA ) 3.0642 1.20323076923077 1.20323076923077 
 assign ( resid 15 and name HD+ ) ( resid 34 and name HD+ ) 3.4558 1.50446153846154 1.50446153846154 
 assign ( resid 27 and name HE3 ) ( resid 53 and name HB1 ) 2.9314 1.10107692307692 1.10107692307692 
 assign ( resid 27 and name HE3 ) ( resid 53 and name HB2 ) 3.1567 1.27438461538462 1.27438461538462 
 assign ( resid 16 and name HZ ) ( resid 53 and name HB1 ) 2.9942 1.14938461538462 1.14938461538462 
 assign ( resid 16 and name HZ ) ( resid 53 and name HB2 ) 3.0868 1.22061538461538 1.22061538461538 
 assign ( resid 16 and name HZ ) ( resid 53 and name HA ) 3.1782 1.29092307692308 1.29092307692308 
 assign ( resid 16 and name HN ) ( resid 15 and name HN ) 2.5533 0.810230769230769 0.810230769230769 
 assign ( resid 14 and name HN ) ( resid 15 and name HN ) 2.6282 0.867846153846154 0.867846153846154 
 assign ( resid 18 and name HN ) ( resid 17 and name HN ) 2.8357 1.02746153846154 1.02746153846154 
 assign ( resid 18 and name HN ) ( resid 19 and name HN ) 2.7551 0.965461538461538 0.965461538461538 
 assign ( resid 53 and name HN ) ( resid 52 and name HN ) 2.4481 0.729307692307692 0.729307692307692 
 assign ( resid 54 and name HN ) ( resid 53 and name HN ) 2.8308 1.02369230769231 1.02369230769231 
 assign ( resid 54 and name HN ) ( resid 55 and name HN ) 2.5441 0.803153846153846 0.803153846153846 
 assign ( resid 56 and name HN ) ( resid 55 and name HN ) 2.5360 0.796923076923077 0.796923076923077 
 assign ( resid 13 and name HN ) ( resid 14 and name HN ) 2.7445 0.957307692307692 0.957307692307692 
 assign ( resid 28 and name HN ) ( resid 29 and name HN ) 3.1430 1.26384615384615 1.26384615384615 
 assign ( resid 52 and name HN ) ( resid 48 and name HA ) 3.5118 1.54753846153846 1.54753846153846 
 assign ( resid 52 and name HN ) ( resid 51 and name HA ) 3.2812 1.37015384615385 1.37015384615385 
 assign ( resid 17 and name HB1 ) ( resid 14 and name HA ) 3.5271 1.55930769230769 1.55930769230769 
 assign ( resid 17 and name HB2 ) ( resid 14 and name HA ) 2.8464 1.03569230769231 1.03569230769231 
 assign ( resid 17 and name HN ) ( resid 16 and name HD+ ) 3.7733 1.74869230769231 1.74869230769231 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HA ) 3.8347 1.79592307692308 1.79592307692308 
 assign ( resid 43 and name HD+ ) ( resid 8 and name HB2 ) 3.3056 1.38892307692308 1.38892307692308 
 assign ( resid 43 and name HD+ ) ( resid 52 and name HD+ ) 3.7984 1.768 1.768 
 assign ( resid 43 and name HD+ ) ( resid 52 and name HD+ ) 3.0001 1.15392307692308 1.15392307692308 
 assign ( resid 43 and name HD+ ) ( resid 8 and name HA ) 3.9064 1.85107692307692 1.85107692307692 
 assign ( resid 43 and name HD+ ) ( resid 49 and name HA ) 3.7785 1.75269230769231 1.75269230769231 
 assign ( resid 23 and name HG1 ) ( resid 57 and name HA ) 2.9768 1.136 1.136 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HB ) 2.7213 0.939461538461539 0.939461538461539 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HD+ ) 3.0362 1.18169230769231 1.18169230769231 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HD+ ) 2.5896 0.838153846153846 0.838153846153846 
 assign ( resid 43 and name HD+ ) ( resid 48 and name HA ) 3.9221 1.86315384615385 1.86315384615385 
 assign ( resid 48 and name HD+ ) ( resid 45 and name HB2 ) 3.0526 1.19430769230769 1.19430769230769 
 assign ( resid 48 and name HD+ ) ( resid 45 and name HB1 ) 3.3328 1.40984615384615 1.40984615384615 
 assign ( resid 43 and name HD+ ) ( resid 45 and name HB2 ) 3.6364 1.64338461538462 1.64338461538462 
 assign ( resid 43 and name HD+ ) ( resid 45 and name HB1 ) 3.8729 1.82530769230769 1.82530769230769 
 assign ( resid 43 and name HG11 ) ( resid 8 and name HG2 ) 3.4434 1.49492307692308 1.49492307692308 
 assign ( resid 43 and name HG12 ) ( resid 8 and name HG2 ) 3.6475 1.65192307692308 1.65192307692308 
 assign ( resid 41 and name HD+ ) ( resid 36 and name HA ) 3.9068 1.85138461538462 1.85138461538462 
 assign ( resid 41 and name HD+ ) ( resid 38 and name HA ) 3.0030 1.15615384615385 1.15615384615385 
 assign ( resid 41 and name HD+ ) ( resid 38 and name HA ) 3.8777 1.829 1.829 
 assign ( resid 19 and name HN ) ( resid 17 and name HA ) 2.8821 1.06315384615385 1.06315384615385 
 assign ( resid 17 and name HN ) ( resid 14 and name HA ) 3.2051 1.31161538461538 1.31161538461538 
 assign ( resid 17 and name HN ) ( resid 16 and name HA ) 3.9777 1.90592307692308 1.90592307692308 
 assign ( resid 53 and name HN ) ( resid 52 and name HA ) 3.3191 1.39930769230769 1.39930769230769 
 assign ( resid 19 and name HN ) ( resid 18 and name HA ) 3.1671 1.28238461538462 1.28238461538462 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HA ) 3.4631 1.51007692307692 1.51007692307692 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HA ) 3.6195 1.63038461538462 1.63038461538462 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HB1 ) 3.5238 1.55676923076923 1.55676923076923 
 assign ( resid 13 and name HZ ) ( resid 56 and name HB2 ) 3.5105 1.54653846153846 1.54653846153846 
 assign ( resid 56 and name HN ) ( resid 55 and name HA ) 3.1523 1.271 1.271 
 assign ( resid 13 and name HD+ ) ( resid 55 and name HB2 ) 3.3236 1.40276923076923 1.40276923076923 
 assign ( resid 14 and name HN ) ( resid 13 and name HA ) 3.5394 1.56876923076923 1.56876923076923 
 assign ( resid 14 and name HN ) ( resid 13 and name HB2 ) 3.2858 1.37369230769231 1.37369230769231 
 assign ( resid 14 and name HN ) ( resid 13 and name HB1 ) 3.2277 1.329 1.329 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HA ) 3.0812 1.21630769230769 1.21630769230769 
 assign ( resid 56 and name HZ3 ) ( resid 13 and name HA ) 2.5335 0.795 0.795 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB2 ) 3.6410 1.64692307692308 1.64692307692308 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB1 ) 3.4976 1.53661538461538 1.53661538461538 
 assign ( resid 27 and name HZ3 ) ( resid 53 and name HB2 ) 3.4978 1.53676923076923 1.53676923076923 
 assign ( resid 27 and name HZ3 ) ( resid 53 and name HB1 ) 3.0646 1.20353846153846 1.20353846153846 
 assign ( resid 27 and name HZ3 ) ( resid 53 and name HA ) 3.4950 1.53461538461538 1.53461538461538 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB2 ) 3.4424 1.49415384615385 1.49415384615385 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HB1 ) 3.3232 1.40246153846154 1.40246153846154 
 assign ( resid 12 and name HZ ) ( resid 40 and name HA ) 2.6400 0.876923076923077 0.876923076923077 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HA ) 3.5982 1.614 1.614 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HD2 ) 2.9870 1.14384615384615 1.14384615384615 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HD1 ) 3.1518 1.27061538461538 1.27061538461538 
 assign ( resid 12 and name HD+ ) ( resid 49 and name HA ) 3.8536 1.81046153846154 1.81046153846154 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HB2 ) 2.9122 1.08630769230769 1.08630769230769 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HB1 ) 2.9846 1.142 1.142 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HG2 ) 3.6633 1.66407692307692 1.66407692307692 
 assign ( resid 27 and name HZ2 ) ( resid 49 and name HG1 ) 3.5461 1.57392307692308 1.57392307692308 
 assign ( resid 52 and name HN ) ( resid 49 and name HA ) 3.5277 1.55976923076923 1.55976923076923 
 assign ( resid 27 and name HZ2 ) ( resid 34 and name HD+ ) 3.8191 1.78392307692308 1.78392307692308 
 assign ( resid 43 and name HN ) ( resid 42 and name HA ) 3.7329 1.71761538461538 1.71761538461538 
 assign ( resid 43 and name HN ) ( resid 42 and name HB2 ) 3.6886 1.68353846153846 1.68353846153846 
 assign ( resid 43 and name HN ) ( resid 42 and name HB1 ) 3.6424 1.648 1.648 
 assign ( resid 12 and name HZ ) ( resid 43 and name HD+ ) 3.8090 1.77615384615385 1.77615384615385 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HD+ ) 3.6202 1.63092307692308 1.63092307692308 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HD+ ) 3.7184 1.70646153846154 1.70646153846154 
 assign ( resid 12 and name HZ ) ( resid 43 and name HD+ ) 3.8021 1.77084615384615 1.77084615384615 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HD+ ) 4.0438 1.95676923076923 1.95676923076923 
 assign ( resid 12 and name HZ ) ( resid 43 and name HG11 ) 3.1671 1.28238461538462 1.28238461538462 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG11 ) 3.2272 1.32861538461538 1.32861538461538 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG12 ) 3.4633 1.51023076923077 1.51023076923077 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HB ) 3.7640 1.74153846153846 1.74153846153846 
 assign ( resid 12 and name HZ ) ( resid 43 and name HG12 ) 4.0347 1.94976923076923 1.94976923076923 
 assign ( resid 12 and name HZ ) ( resid 43 and name HB ) 3.0535 1.195 1.195 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG12 ) 3.7737 1.749 1.749 
 assign ( resid 12 and name HD+ ) ( resid 43 and name HG11 ) 3.4613 1.50869230769231 1.50869230769231 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HB2 ) 3.9361 1.87392307692308 1.87392307692308 
 assign ( resid 43 and name HD+ ) ( resid 12 and name HB1 ) 4.5878 2.37523076923077 2.37523076923077 
 assign ( resid 15 and name HB2 ) ( resid 12 and name HA ) 2.5615 0.816538461538462 0.816538461538462 
 assign ( resid 15 and name HB1 ) ( resid 12 and name HA ) 2.9213 1.09330769230769 1.09330769230769 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG12 ) 3.6811 1.67776923076923 1.67776923076923 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 3.3176 1.39815384615385 1.39815384615385 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG11 ) 3.4675 1.51346153846154 1.51346153846154 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 4.2632 2.12553846153846 2.12553846153846 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG12 ) 3.0794 1.21492307692308 1.21492307692308 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HB ) 3.4767 1.52053846153846 1.52053846153846 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 3.0854 1.21953846153846 1.21953846153846 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HG11 ) 3.7854 1.758 1.758 
 assign ( resid 40 and name HD+ ) ( resid 34 and name HD+ ) 4.0477 1.95976923076923 1.95976923076923 
 assign ( resid 40 and name HZ ) ( resid 34 and name HG12 ) 3.2653 1.35792307692308 1.35792307692308 
 assign ( resid 40 and name HZ ) ( resid 34 and name HD+ ) 3.6648 1.66523076923077 1.66523076923077 
 assign ( resid 19 and name HN ) ( resid 34 and name HD+ ) 3.8282 1.79092307692308 1.79092307692308 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HD+ ) 3.2228 1.32523076923077 1.32523076923077 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HD+ ) 3.6837 1.67976923076923 1.67976923076923 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HB ) 3.8964 1.84338461538462 1.84338461538462 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HB ) 3.4473 1.49792307692308 1.49792307692308 
 assign ( resid 19 and name HD+ ) ( resid 37 and name HB1 ) 3.5198 1.55369230769231 1.55369230769231 
 assign ( resid 19 and name HD+ ) ( resid 37 and name HB2 ) 3.8160 1.78153846153846 1.78153846153846 
 assign ( resid 15 and name HD+ ) ( resid 37 and name HB2 ) 3.4351 1.48853846153846 1.48853846153846 
 assign ( resid 15 and name HD+ ) ( resid 37 and name HB2 ) 4.0240 1.94153846153846 1.94153846153846 
 assign ( resid 15 and name HD+ ) ( resid 37 and name HB1 ) 3.7510 1.73153846153846 1.73153846153846 
 assign ( resid 18 and name HN ) ( resid 17 and name HB2 ) 3.0529 1.19453846153846 1.19453846153846 
 assign ( resid 18 and name HN ) ( resid 17 and name HB1 ) 3.2221 1.32469230769231 1.32469230769231 
 assign ( resid 23 and name HB2 ) ( resid 57 and name HA ) 2.8909 1.06992307692308 1.06992307692308 
 assign ( resid 23 and name HB1 ) ( resid 57 and name HA ) 3.2155 1.31961538461538 1.31961538461538 
 assign ( resid 23 and name HG2 ) ( resid 57 and name HA ) 3.5030 1.54076923076923 1.54076923076923 
 assign ( resid 23 and name HD2 ) ( resid 57 and name HA ) 3.5388 1.56830769230769 1.56830769230769 
 assign ( resid 19 and name HD+ ) ( resid 21 and name HD+ ) 4.7232 2.47938461538462 2.47938461538462 
 assign ( resid 19 and name HD+ ) ( resid 21 and name HD+ ) 4.6386 2.41430769230769 2.41430769230769 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HB1 ) 3.3668 1.436 1.436 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HB1 ) 3.3202 1.40015384615385 1.40015384615385 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HB2 ) 3.0566 1.19738461538462 1.19738461538462 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HG ) 3.2744 1.36492307692308 1.36492307692308 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HB2 ) 3.0220 1.17076923076923 1.17076923076923 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HG ) 3.6027 1.61746153846154 1.61746153846154 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HD+ ) 2.3238 0.633692307692308 0.633692307692308 
 assign ( resid 56 and name HZ3 ) ( resid 21 and name HD+ ) 2.5283 0.791 0.791 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HD+ ) 2.9024 1.07876923076923 1.07876923076923 
 assign ( resid 56 and name HH2 ) ( resid 21 and name HD+ ) 3.6177 1.629 1.629 
 assign ( resid 56 and name HE3 ) ( resid 21 and name HD+ ) 3.9258 1.866 1.866 
 assign ( resid 56 and name HE3 ) ( resid 21 and name HD+ ) 3.8861 1.83546153846154 1.83546153846154 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HA ) 3.8365 1.79730769230769 1.79730769230769 
 assign ( resid 56 and name HE3 ) ( resid 53 and name HA ) 3.4695 1.515 1.515 
 assign ( resid 54 and name HN ) ( resid 53 and name HB2 ) 3.1518 1.27061538461538 1.27061538461538 
 assign ( resid 54 and name HN ) ( resid 53 and name HB1 ) 3.3190 1.39923076923077 1.39923076923077 
 assign ( resid 53 and name HN ) ( resid 52 and name HB2 ) 2.9564 1.12030769230769 1.12030769230769 
 assign ( resid 53 and name HN ) ( resid 52 and name HG ) 3.5656 1.58892307692308 1.58892307692308 
 assign ( resid 53 and name HN ) ( resid 52 and name HB1 ) 3.2655 1.35807692307692 1.35807692307692 
 assign ( resid 53 and name HN ) ( resid 52 and name HD+ ) 3.9974 1.92107692307692 1.92107692307692 
 assign ( resid 53 and name HN ) ( resid 52 and name HD+ ) 3.7624 1.74030769230769 1.74030769230769 
 assign ( resid 13 and name HN ) ( resid 12 and name HB2 ) 3.2789 1.36838461538462 1.36838461538462 
 assign ( resid 13 and name HN ) ( resid 12 and name HB1 ) 3.4646 1.51123076923077 1.51123076923077 
 assign ( resid 13 and name HN ) ( resid 10 and name HA ) 3.1997 1.30746153846154 1.30746153846154 
 assign ( resid 13 and name HN ) ( resid 12 and name HN ) 3.3592 1.43015384615385 1.43015384615385 
 assign ( resid 18 and name HN ) ( resid 19 and name HD+ ) 3.8627 1.81746153846154 1.81746153846154 
 assign ( resid 56 and name HN ) ( resid 13 and name HD+ ) 3.5228 1.556 1.556 
 assign ( resid 56 and name HN ) ( resid 54 and name HN ) 3.5859 1.60453846153846 1.60453846153846 
 assign ( resid 17 and name HN ) ( resid 19 and name HN ) 3.4346 1.48815384615385 1.48815384615385 
 assign ( resid 17 and name HN ) ( resid 15 and name HN ) 3.6253 1.63484615384615 1.63484615384615 
 assign ( resid 52 and name HN ) ( resid 53 and name HD+ ) 3.9731 1.90238461538462 1.90238461538462 
 assign ( resid 14 and name HN ) ( resid 13 and name HD+ ) 3.8954 1.84261538461538 1.84261538461538 
 assign ( resid 27 and name HZ2 ) ( resid 40 and name HD+ ) 3.2139 1.31838461538462 1.31838461538462 
 assign ( resid 27 and name HZ2 ) ( resid 40 and name HZ ) 3.0243 1.17253846153846 1.17253846153846 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HD1 ) 3.7579 1.73684615384615 1.73684615384615 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HZ3 ) 3.9929 1.91761538461538 1.91761538461538 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HZ3 ) 3.2426 1.34046153846154 1.34046153846154 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HD1 ) 3.2572 1.35169230769231 1.35169230769231 
 assign ( resid 56 and name HN ) ( resid 55 and name HB2 ) 2.4948 0.765230769230769 0.765230769230769 
 assign ( resid 56 and name HN ) ( resid 55 and name HG1 ) 3.5878 1.606 1.606 
 assign ( resid 56 and name HN ) ( resid 55 and name HG2 ) 3.6821 1.67853846153846 1.67853846153846 
 assign ( resid 30 and name HN ) ( resid 29 and name HB2 ) 3.3112 1.39323076923077 1.39323076923077 
 assign ( resid 30 and name HN ) ( resid 29 and name HB1 ) 3.4203 1.47715384615385 1.47715384615385 
 assign ( resid 13 and name HN ) ( resid 9 and name HA ) 3.6663 1.66638461538462 1.66638461538462 
 assign ( resid 16 and name HN ) ( resid 15 and name HB2 ) 2.9046 1.08046153846154 1.08046153846154 
 assign ( resid 16 and name HN ) ( resid 15 and name HB1 ) 3.1107 1.239 1.239 
 assign ( resid 54 and name HN ) ( resid 51 and name HA ) 3.0630 1.20230769230769 1.20230769230769 
 assign ( resid 16 and name HN ) ( resid 12 and name HA ) 3.3040 1.38769230769231 1.38769230769231 
 assign ( resid 18 and name HN ) ( resid 15 and name HA ) 3.3712 1.43938461538462 1.43938461538462 
 assign ( resid 18 and name HN ) ( resid 14 and name HA ) 4.4626 2.27892307692308 2.27892307692308 
 assign ( resid 56 and name HN ) ( resid 53 and name HA ) 3.3170 1.39769230769231 1.39769230769231 
 assign ( resid 56 and name HN ) ( resid 52 and name HA ) 3.5627 1.58669230769231 1.58669230769231 
 assign ( resid 55 and name HN ) ( resid 54 and name HA ) 3.2740 1.36461538461538 1.36461538461538 
 assign ( resid 30 and name HN ) ( resid 27 and name HA ) 4.2628 2.12523076923077 2.12523076923077 
 assign ( resid 16 and name HN ) ( resid 15 and name HG ) 3.4952 1.53476923076923 1.53476923076923 
 assign ( resid 27 and name HZ2 ) ( resid 31 and name HB2 ) 3.6424 1.648 1.648 
 assign ( resid 27 and name HZ2 ) ( resid 31 and name HA ) 3.7578 1.73676923076923 1.73676923076923 
 assign ( resid 27 and name HZ2 ) ( resid 31 and name HB1 ) 3.5615 1.58576923076923 1.58576923076923 
 assign ( resid 15 and name HN ) ( resid 14 and name HB2 ) 2.7286 0.945076923076923 0.945076923076923 
 assign ( resid 15 and name HN ) ( resid 12 and name HA ) 2.8074 1.00569230769231 1.00569230769231 
 assign ( resid 15 and name HN ) ( resid 14 and name HA ) 3.2173 1.321 1.321 
 assign ( resid 22 and name HN ) ( resid 21 and name HA ) 3.0241 1.17238461538462 1.17238461538462 
 assign ( resid 21 and name HN ) ( resid 20 and name HA ) 2.3476 0.652 0.652 
 assign ( resid 19 and name HN ) ( resid 20 and name HA ) 3.4548 1.50369230769231 1.50369230769231 
 assign ( resid 27 and name HZ2 ) ( resid 46 and name HA ) 3.5135 1.54884615384615 1.54884615384615 
 assign ( resid 14 and name HN ) ( resid 10 and name HA ) 3.6260 1.63538461538462 1.63538461538462 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HA ) 3.4214 1.478 1.478 
 assign ( resid 13 and name HD+ ) ( resid 10 and name HA ) 3.6912 1.68553846153846 1.68553846153846 
 assign ( resid 43 and name HN ) ( resid 41 and name HA ) 3.4744 1.51876923076923 1.51876923076923 
 assign ( resid 14 and name HN ) ( resid 11 and name HA ) 3.4303 1.48484615384615 1.48484615384615 
 assign ( resid 17 and name HN ) ( resid 15 and name HA ) 3.6513 1.65484615384615 1.65484615384615 
 assign ( resid 12 and name HD+ ) ( resid 40 and name HA ) 3.2927 1.379 1.379 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HB1 ) 3.2099 1.31530769230769 1.31530769230769 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HB2 ) 3.4839 1.52607692307692 1.52607692307692 
 assign ( resid 27 and name HD1 ) ( resid 28 and name HA ) 3.1507 1.26976923076923 1.26976923076923 
 assign ( resid 52 and name HN ) ( resid 51 and name HB2 ) 2.8204 1.01569230769231 1.01569230769231 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HA ) 3.4321 1.48623076923077 1.48623076923077 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HB2 ) 3.9867 1.91284615384615 1.91284615384615 
 assign ( resid 13 and name HD+ ) ( resid 56 and name HB1 ) 3.6441 1.64930769230769 1.64930769230769 
 assign ( resid 53 and name HD+ ) ( resid 52 and name HA ) 3.8011 1.77007692307692 1.77007692307692 
 assign ( resid 13 and name HZ ) ( resid 55 and name HB2 ) 2.6671 0.897769230769231 0.897769230769231 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HB2 ) 3.3381 1.41392307692308 1.41392307692308 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HB1 ) 2.9061 1.08161538461538 1.08161538461538 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HG1 ) 2.7812 0.985538461538462 0.985538461538462 
 assign ( resid 27 and name HH2 ) ( resid 50 and name HG2 ) 3.4451 1.49623076923077 1.49623076923077 
 assign ( resid 53 and name HD+ ) ( resid 52 and name HB1 ) 3.6607 1.66207692307692 1.66207692307692 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.6482 1.65246153846154 1.65246153846154 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.5562 1.58169230769231 1.58169230769231 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB2 ) 3.1510 1.27 1.27 
 assign ( resid 12 and name HN ) ( resid 11 and name HB ) 3.2874 1.37492307692308 1.37492307692308 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HB ) 3.1455 1.26576923076923 1.26576923076923 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HB ) 2.8950 1.07307692307692 1.07307692307692 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HD+ ) 3.4152 1.47323076923077 1.47323076923077 
 assign ( resid 12 and name HN ) ( resid 11 and name HD+ ) 4.0209 1.93915384615385 1.93915384615385 
 assign ( resid 12 and name HD+ ) ( resid 11 and name HD+ ) 3.8767 1.82823076923077 1.82823076923077 
 assign ( resid 55 and name HN ) ( resid 54 and name HB1 ) 3.0967 1.22823076923077 1.22823076923077 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 3.4383 1.491 1.491 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 4.0720 1.97846153846154 1.97846153846154 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 3.8072 1.77476923076923 1.77476923076923 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 2.7294 0.945692307692308 0.945692307692308 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HD+ ) 3.0976 1.22892307692308 1.22892307692308 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 4.0525 1.96346153846154 1.96346153846154 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 3.4008 1.46215384615385 1.46215384615385 
 assign ( resid 17 and name HN ) ( resid 16 and name HB1 ) 3.3287 1.40669230769231 1.40669230769231 
 assign ( resid 56 and name HZ2 ) ( resid 16 and name HB1 ) 3.6163 1.62792307692308 1.62792307692308 
 assign ( resid 17 and name HN ) ( resid 16 and name HB2 ) 3.0671 1.20546153846154 1.20546153846154 
 assign ( resid 56 and name HZ2 ) ( resid 16 and name HB2 ) 3.4985 1.53730769230769 1.53730769230769 
 assign ( resid 56 and name HZ2 ) ( resid 17 and name HB2 ) 3.6932 1.68707692307692 1.68707692307692 
 assign ( resid 56 and name HZ2 ) ( resid 17 and name HB1 ) 3.7301 1.71546153846154 1.71546153846154 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HB1 ) 3.2855 1.37346153846154 1.37346153846154 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HB2 ) 3.1116 1.23969230769231 1.23969230769231 
 assign ( resid 16 and name HD+ ) ( resid 56 and name HA ) 4.0671 1.97469230769231 1.97469230769231 
 assign ( resid 16 and name HD+ ) ( resid 12 and name HA ) 3.9008 1.84676923076923 1.84676923076923 
 assign ( resid 56 and name HE3 ) ( resid 57 and name HA ) 3.2655 1.35807692307692 1.35807692307692 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB1 ) 3.4248 1.48061538461538 1.48061538461538 
 assign ( resid 16 and name HZ ) ( resid 52 and name HB1 ) 3.2927 1.379 1.379 
 assign ( resid 16 and name HZ ) ( resid 52 and name HB2 ) 3.1679 1.283 1.283 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB2 ) 3.6132 1.62553846153846 1.62553846153846 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB1 ) 3.8738 1.826 1.826 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 3.8461 1.80469230769231 1.80469230769231 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HD+ ) 4.0741 1.98007692307692 1.98007692307692 
 assign ( resid 16 and name HZ ) ( resid 52 and name HD+ ) 4.0302 1.94630769230769 1.94630769230769 
 assign ( resid 16 and name HZ ) ( resid 52 and name HD+ ) 3.5418 1.57061538461538 1.57061538461538 
 assign ( resid 12 and name HD+ ) ( resid 15 and name HD+ ) 4.2136 2.08738461538461 2.08738461538461 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HD+ ) 3.6176 1.62892307692308 1.62892307692308 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 3.0877 1.22130769230769 1.22130769230769 
 assign ( resid 19 and name HD+ ) ( resid 15 and name HD+ ) 4.0307 1.94669230769231 1.94669230769231 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HD+ ) 3.2213 1.32407692307692 1.32407692307692 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB1 ) 3.9299 1.86915384615385 1.86915384615385 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB1 ) 3.9455 1.88115384615385 1.88115384615385 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HB2 ) 4.0022 1.92476923076923 1.92476923076923 
 assign ( resid 13 and name HD+ ) ( resid 52 and name HB2 ) 3.8088 1.776 1.776 
 assign ( resid 55 and name HN ) ( resid 54 and name HG1 ) 2.5883 0.837153846153846 0.837153846153846 
 assign ( resid 53 and name HN ) ( resid 54 and name HG1 ) 2.9564 1.12030769230769 1.12030769230769 
 assign ( resid 53 and name HN ) ( resid 54 and name HG2 ) 4.3003 2.15407692307692 2.15407692307692 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.9249 1.86530769230769 1.86530769230769 
 assign ( resid 16 and name HD+ ) ( resid 52 and name HD+ ) 3.7565 1.73576923076923 1.73576923076923 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HD+ ) 3.7838 1.75676923076923 1.75676923076923 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 4.1015 2.00115384615385 2.00115384615385 
 assign ( resid 40 and name HD+ ) ( resid 15 and name HD+ ) 4.3332 2.17938461538462 2.17938461538462 
 assign ( resid 40 and name HD+ ) ( resid 31 and name HB2 ) 3.5509 1.57761538461538 1.57761538461538 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HD+ ) 4.5542 2.34938461538461 2.34938461538461 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HD+ ) 3.3151 1.39623076923077 1.39623076923077 
 assign ( resid 12 and name HD+ ) ( resid 52 and name HB1 ) 3.7897 1.76130769230769 1.76130769230769 
 assign ( resid 40 and name HZ ) ( resid 31 and name HB2 ) 3.3201 1.40007692307692 1.40007692307692 
 assign ( resid 40 and name HZ ) ( resid 31 and name HB1 ) 4.5985 2.38346153846154 2.38346153846154 
 assign ( resid 40 and name HD+ ) ( resid 31 and name HB1 ) 3.2117 1.31669230769231 1.31669230769231 
 assign ( resid 40 and name HD+ ) ( resid 31 and name HA ) 3.5632 1.58707692307692 1.58707692307692 
 assign ( resid 16 and name HZ ) ( resid 34 and name HG12 ) 3.4325 1.48653846153846 1.48653846153846 
 assign ( resid 16 and name HZ ) ( resid 34 and name HD+ ) 3.8927 1.84053846153846 1.84053846153846 
 assign ( resid 27 and name HH2 ) ( resid 34 and name HD+ ) 3.0417 1.18592307692308 1.18592307692308 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HB2 ) 3.6129 1.62530769230769 1.62530769230769 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HB1 ) 3.3582 1.42938461538462 1.42938461538462 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HG2 ) 3.3830 1.44846153846154 1.44846153846154 
 assign ( resid 27 and name HH2 ) ( resid 49 and name HG1 ) 5.0741 2.74930769230769 2.74930769230769 
 assign ( resid 56 and name HZ2 ) ( resid 21 and name HD+ ) 3.8038 1.77215384615385 1.77215384615385 
 assign ( resid 56 and name HZ2 ) ( resid 21 and name HD+ ) 3.7920 1.76307692307692 1.76307692307692 
 assign ( resid 56 and name HZ2 ) ( resid 21 and name HG ) 3.6571 1.65930769230769 1.65930769230769 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG2 ) 3.8349 1.79607692307692 1.79607692307692 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG1 ) 3.4221 1.47853846153846 1.47853846153846 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HG1 ) 3.6922 1.68630769230769 1.68630769230769 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HG1 ) 3.2781 1.36776923076923 1.36776923076923 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HG2 ) 2.2928 0.609846153846154 0.609846153846154 
 assign ( resid 56 and name HH2 ) ( resid 23 and name HE2 ) 3.5368 1.56676923076923 1.56676923076923 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HE2 ) 3.7331 1.71776923076923 1.71776923076923 
 assign ( resid 56 and name HZ3 ) ( resid 23 and name HG2 ) 1.6081 0.5 0.5 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HB ) 3.9469 1.88223076923077 1.88223076923077 
 assign ( resid 16 and name HD+ ) ( resid 34 and name HG12 ) 3.5002 1.53861538461538 1.53861538461538 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG2 ) 3.9572 1.89015384615385 1.89015384615385 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HG1 ) 3.6595 1.66115384615385 1.66115384615385 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HB1 ) 3.4868 1.52830769230769 1.52830769230769 
 assign ( resid 19 and name HD+ ) ( resid 18 and name HB2 ) 3.9614 1.89338461538462 1.89338461538462 
 assign ( resid 19 and name HN ) ( resid 18 and name HB2 ) 3.5720 1.59384615384615 1.59384615384615 
 assign ( resid 19 and name HN ) ( resid 18 and name HB1 ) 3.1598 1.27676923076923 1.27676923076923 
 assign ( resid 19 and name HN ) ( resid 18 and name HG2 ) 4.1789 2.06069230769231 2.06069230769231 
 assign ( resid 19 and name HN ) ( resid 18 and name HG1 ) 3.6482 1.65246153846154 1.65246153846154 
 assign ( resid 56 and name HZ2 ) ( resid 23 and name HE2 ) 3.3559 1.42761538461538 1.42761538461538 
 assign ( resid 23 and name HZ1 ) ( resid 30 and name HG2 ) 3.1730 1.28692307692308 1.28692307692308 
 assign ( resid 23 and name HZ1 ) ( resid 30 and name HG1 ) 3.0369 1.18223076923077 1.18223076923077 
 assign ( resid 23 and name HZ1 ) ( resid 30 and name HB2 ) 3.3611 1.43161538461538 1.43161538461538 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HB1 ) 3.5714 1.59338461538462 1.59338461538462 
 assign ( resid 29 and name HN ) ( resid 26 and name HA ) 3.5889 1.60684615384615 1.60684615384615 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HB2 ) 3.7138 1.70292307692308 1.70292307692308 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HG ) 3.0964 1.228 1.228 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HD+ ) 3.9055 1.85038461538462 1.85038461538462 
 assign ( resid 23 and name HZ1 ) ( resid 21 and name HD+ ) 3.5979 1.61376923076923 1.61376923076923 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HA ) 3.7248 1.71138461538462 1.71138461538462 
 assign ( resid 19 and name HD+ ) ( resid 34 and name HA ) 3.8489 1.80684615384615 1.80684615384615 
 assign ( resid 15 and name HN ) ( resid 11 and name HA ) 3.6396 1.64584615384615 1.64584615384615 
 assign ( resid 40 and name HD+ ) ( resid 41 and name HA ) 3.9264 1.86646153846154 1.86646153846154 
 assign ( resid 56 and name HD1 ) ( resid 13 and name HA ) 2.7919 0.993769230769231 0.993769230769231 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HG1 ) 3.7411 1.72392307692308 1.72392307692308 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HG2 ) 4.2738 2.13369230769231 2.13369230769231 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HB1 ) 3.2119 1.31684615384615 1.31684615384615 
 assign ( resid 12 and name HD+ ) ( resid 42 and name HB2 ) 3.4906 1.53123076923077 1.53123076923077 
 assign ( resid 13 and name HZ ) ( resid 55 and name HG1 ) 3.0250 1.17307692307692 1.17307692307692 
 assign ( resid 13 and name HZ ) ( resid 55 and name HG2 ) 3.6138 1.626 1.626 
 assign ( resid 38 and name HD2 ) ( resid 37 and name HA ) 3.2677 1.35976923076923 1.35976923076923 
 assign ( resid 38 and name HD1 ) ( resid 37 and name HA ) 3.3694 1.438 1.438 
 assign ( resid 42 and name HE2 ) ( resid 39 and name HA ) 3.1257 1.25053846153846 1.25053846153846 
 assign ( resid 34 and name HD+ ) ( resid 16 and name HA ) 3.8160 1.78153846153846 1.78153846153846 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HB2 ) 3.3417 1.41669230769231 1.41669230769231 
 assign ( resid 34 and name HD+ ) ( resid 19 and name HB1 ) 3.2474 1.34415384615385 1.34415384615385 
 assign ( resid 34 and name HD+ ) ( resid 21 and name HG ) 3.7707 1.74669230769231 1.74669230769231 
 assign ( resid 34 and name HD+ ) ( resid 31 and name HB2 ) 3.7813 1.75484615384615 1.75484615384615 
 assign ( resid 34 and name HG12 ) ( resid 31 and name HB2 ) 3.2908 1.37753846153846 1.37753846153846 
 assign ( resid 53 and name HB1 ) ( resid 52 and name HA ) 2.8450 1.03461538461538 1.03461538461538 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HA ) 3.2933 1.37946153846154 1.37946153846154 
 assign ( resid 15 and name HD+ ) ( resid 40 and name HB1 ) 4.0242 1.94169230769231 1.94169230769231 
 assign ( resid 52 and name HD+ ) ( resid 48 and name HA ) 2.9718 1.13215384615385 1.13215384615385 
 assign ( resid 52 and name HD+ ) ( resid 48 and name HA ) 2.5607 0.815923076923077 0.815923076923077 
 assign ( resid 13 and name HB2 ) ( resid 10 and name HA ) 3.2747 1.36515384615385 1.36515384615385 
 assign ( resid 13 and name HB1 ) ( resid 10 and name HA ) 3.1501 1.26930769230769 1.26930769230769 
 assign ( resid 57 and name HA ) ( resid 23 and name HA ) 3.4600 1.50769230769231 1.50769230769231 
 assign ( resid 56 and name HB2 ) ( resid 53 and name HA ) 3.4081 1.46776923076923 1.46776923076923 
 assign ( resid 56 and name HB1 ) ( resid 53 and name HA ) 3.6067 1.62053846153846 1.62053846153846 
 assign ( resid 57 and name HB1 ) ( resid 54 and name HA ) 3.4356 1.48892307692308 1.48892307692308 
 assign ( resid 57 and name HB2 ) ( resid 54 and name HA ) 3.0978 1.22907692307692 1.22907692307692 
 assign ( resid 37 and name HB1 ) ( resid 34 and name HA ) 3.3041 1.38776923076923 1.38776923076923 
 assign ( resid 37 and name HB2 ) ( resid 34 and name HA ) 3.3967 1.459 1.459 
 assign ( resid 12 and name HB1 ) ( resid 9 and name HA ) 3.5739 1.59530769230769 1.59530769230769 
 assign ( resid 12 and name HB2 ) ( resid 9 and name HA ) 3.4000 1.46153846153846 1.46153846153846 
 assign ( resid 52 and name HD+ ) ( resid 49 and name HA ) 3.1631 1.27930769230769 1.27930769230769 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HB2 ) 3.2017 1.309 1.309 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HA ) 3.2904 1.37723076923077 1.37723076923077 
 assign ( resid 15 and name HD+ ) ( resid 12 and name HA ) 3.9457 1.88130769230769 1.88130769230769 
 assign ( resid 11 and name HD+ ) ( resid 12 and name HA ) 3.5938 1.61061538461538 1.61061538461538 
 assign ( resid 52 and name HD+ ) ( resid 12 and name HB1 ) 3.0189 1.16838461538462 1.16838461538462 
 assign ( resid 52 and name HD+ ) ( resid 48 and name HD+ ) 3.1876 1.29815384615385 1.29815384615385 
 assign ( resid 34 and name HD+ ) ( resid 21 and name HD+ ) 3.3345 1.41115384615385 1.41115384615385 
 assign ( resid 34 and name HD+ ) ( resid 21 and name HD+ ) 3.1050 1.23461538461538 1.23461538461538 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.5761 1.597 1.597 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HG ) 3.2331 1.33315384615385 1.33315384615385 
 assign ( resid 34 and name HD+ ) ( resid 15 and name HD+ ) 3.3436 1.41815384615385 1.41815384615385 
 assign ( resid 43 and name HD+ ) ( resid 8 and name HG2 ) 3.5050 1.54230769230769 1.54230769230769 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HG2 ) 3.0780 1.21384615384615 1.21384615384615 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HG2 ) 3.3860 1.45076923076923 1.45076923076923 
 assign ( resid 11 and name HD+ ) ( resid 39 and name HB1 ) 3.0531 1.19469230769231 1.19469230769231 
 assign ( resid 11 and name HD+ ) ( resid 39 and name HB2 ) 3.4212 1.47784615384615 1.47784615384615 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HB2 ) 3.8678 1.82138461538462 1.82138461538462 
 assign ( resid 52 and name HD+ ) ( resid 8 and name HB2 ) 3.9527 1.88669230769231 1.88669230769231 
 assign ( resid 43 and name HG12 ) ( resid 8 and name HB2 ) 3.6475 1.65192307692308 1.65192307692308 
 assign ( resid 34 and name HD+ ) ( resid 35 and name HG2 ) 3.0341 1.18007692307692 1.18007692307692 
 assign ( resid 11 and name HD+ ) ( resid 42 and name HB2 ) 3.6048 1.61907692307692 1.61907692307692 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB2 ) 3.2172 1.32092307692308 1.32092307692308 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB2 ) 3.4818 1.52446153846154 1.52446153846154 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB1 ) 3.0819 1.21684615384615 1.21684615384615 
 assign ( resid 15 and name HD+ ) ( resid 39 and name HB1 ) 3.5659 1.58915384615385 1.58915384615385 
 assign ( resid 11 and name HD+ ) ( resid 8 and name HA ) 3.0794 1.21492307692308 1.21492307692308 
 assign ( resid 11 and name HD+ ) ( resid 8 and name HA ) 3.7195 1.70730769230769 1.70730769230769 
 assign ( resid 33 and name HG2 ) ( resid 30 and name HA ) 3.1950 1.30384615384615 1.30384615384615 
 assign ( resid 33 and name HD2 ) ( resid 30 and name HA ) 3.5930 1.61 1.61 
 assign ( resid 33 and name HB2 ) ( resid 30 and name HA ) 3.5758 1.59676923076923 1.59676923076923 
 assign ( resid 21 and name HD+ ) ( resid 30 and name HA ) 3.6837 1.67976923076923 1.67976923076923 
 assign ( resid 21 and name HD+ ) ( resid 30 and name HA ) 3.9018 1.84753846153846 1.84753846153846 
 assign ( resid 9 and name HB2 ) ( resid 6 and name HA ) 3.4910 1.53153846153846 1.53153846153846 
 assign ( resid 9 and name HB1 ) ( resid 6 and name HA ) 3.4240 1.48 1.48 
 assign ( resid 11 and name HD+ ) ( resid 39 and name HA ) 3.5538 1.57984615384615 1.57984615384615 
 assign ( resid 42 and name HG1 ) ( resid 39 and name HA ) 3.0322 1.17861538461538 1.17861538461538 
 assign ( resid 42 and name HG2 ) ( resid 39 and name HA ) 2.5025 0.771153846153846 0.771153846153846 
 assign ( resid 42 and name HB2 ) ( resid 39 and name HA ) 3.6255 1.635 1.635 
 assign ( resid 10 and name HB2 ) ( resid 7 and name HA ) 3.2510 1.34692307692308 1.34692307692308 
 assign ( resid 52 and name HB2 ) ( resid 49 and name HA ) 3.4330 1.48692307692308 1.48692307692308 
 assign ( resid 54 and name HB2 ) ( resid 51 and name HA ) 3.0661 1.20469230769231 1.20469230769231 
 assign ( resid 54 and name HB1 ) ( resid 51 and name HA ) 3.4091 1.46853846153846 1.46853846153846 
 assign ( resid 34 and name HD+ ) ( resid 31 and name HA ) 3.1304 1.25415384615385 1.25415384615385 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HA ) 3.9161 1.85853846153846 1.85853846153846 
 assign ( resid 21 and name HD+ ) ( resid 16 and name HA ) 3.1089 1.23761538461538 1.23761538461538 
 assign ( resid 34 and name HG11 ) ( resid 31 and name HA ) 2.5862 0.835538461538461 0.835538461538461 
 assign ( resid 34 and name HD+ ) ( resid 31 and name HA ) 3.8536 1.81046153846154 1.81046153846154 
 assign ( resid 34 and name HG12 ) ( resid 31 and name HA ) 2.5451 0.803923076923077 0.803923076923077 
 assign ( resid 11 and name HD+ ) ( resid 42 and name HE2 ) 3.7003 1.69253846153846 1.69253846153846 
 assign ( resid 23 and name HD1 ) ( resid 57 and name HA ) 3.0818 1.21676923076923 1.21676923076923 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB2 ) 3.3500 1.42307692307692 1.42307692307692 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB2 ) 3.7030 1.69461538461538 1.69461538461538 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB1 ) 3.6073 1.621 1.621 
 assign ( resid 21 and name HD+ ) ( resid 19 and name HB1 ) 3.6624 1.66338461538462 1.66338461538462 
 assign ( resid 49 and name HD2 ) ( resid 46 and name HA ) 3.3263 1.40484615384615 1.40484615384615 
 assign ( resid 49 and name HD1 ) ( resid 46 and name HA ) 3.5313 1.56253846153846 1.56253846153846 
 assign ( resid 52 and name HN ) ( resid 48 and name HD+ ) 3.8120 1.77846153846154 1.77846153846154 
 !From hbonds, file hbonds 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASP   5           H        ASP   5  -6.822   7.521  -9.780
    2    HA   ASP   5           HA       ASP   5  -9.257   7.761  -8.399
    3    HB2  ASP   5           2HB      ASP   5 -10.778   8.160 -10.359
    4    HB3  ASP   5           1HB      ASP   5  -9.865   9.570  -9.847
    5    H    ILE   6           H        ILE   6  -8.592   5.717  -7.977
    6    HA   ILE   6           HA       ILE   6  -8.097   3.544  -8.218
    7    HB   ILE   6           HB       ILE   6  -9.851   2.149  -9.154
    8   HG12  ILE   6          2HG1      ILE   6 -11.265   4.739  -9.834
    9   HG13  ILE   6          1HG1      ILE   6 -10.572   3.634 -11.017
   10   HG21  ILE   6          1HG2      ILE   6 -11.591   2.854  -7.552
   11   HG22  ILE   6          2HG2      ILE   6 -10.757   4.398  -7.369
   12   HG23  ILE   6          3HG2      ILE   6  -9.964   2.904  -6.868
   13   HD11  ILE   6          3HD1      ILE   6 -12.129   1.899 -10.317
   14   HD12  ILE   6          1HD1      ILE   6 -12.981   3.356 -10.830
   15   HD13  ILE   6          2HD1      ILE   6 -12.812   2.991  -9.112
   16    H    ASP   7           H        ASP   7  -6.289   3.366  -9.226
   17    HA   ASP   7           HA       ASP   7  -6.114   1.918 -11.483
   18    HB2  ASP   7           2HB      ASP   7  -6.617   3.773 -12.872
   19    HB3  ASP   7           1HB      ASP   7  -5.425   4.715 -11.983
   20    H    GLU   8           H        GLU   8  -4.840   4.047 -10.050
   21    HA   GLU   8           HA       GLU   8  -2.060   3.224  -9.901
   22    HB2  GLU   8           2HB      GLU   8  -1.626   5.231  -8.631
   23    HB3  GLU   8           1HB      GLU   8  -2.679   5.639  -9.976
   24    HG2  GLU   8           2HG      GLU   8  -3.519   5.272  -7.104
   25    HG3  GLU   8           1HG      GLU   8  -3.347   6.805  -7.958
   26    H    ARG   9           H        ARG   9  -4.887   2.980  -7.980
   27    HA   ARG   9           HA       ARG   9  -3.921   2.377  -5.462
   28    HB2  ARG   9           2HB      ARG   9  -6.048   1.251  -5.121
   29    HB3  ARG   9           1HB      ARG   9  -6.280   2.699  -6.079
   30    HG2  ARG   9           2HG      ARG   9  -6.402   1.348  -8.109
   31    HG3  ARG   9           1HG      ARG   9  -6.204  -0.106  -7.136
   32    HD2  ARG   9           2HD      ARG   9  -8.261   0.442  -5.922
   33    HD3  ARG   9           1HD      ARG   9  -8.471   1.871  -6.931
   34    HE   ARG   9           HE       ARG   9  -8.431   0.038  -8.810
   35   HH11  ARG   9          1HH1      ARG   9  -9.989  -0.084  -5.674
   36   HH12  ARG   9          2HH1      ARG   9 -11.230  -1.190  -6.202
   37   HH21  ARG   9          1HH2      ARG   9 -10.042  -1.416  -9.503
   38   HH22  ARG   9          2HH2      ARG   9 -11.252  -1.965  -8.374
   39    H    ASN  10           H        ASN  10  -4.513   0.154  -8.152
   40    HA   ASN  10           HA       ASN  10  -3.847  -2.246  -6.794
   41    HB2  ASN  10           2HB      ASN  10  -3.780  -1.564  -9.758
   42    HB3  ASN  10           1HB      ASN  10  -3.540  -3.187  -9.117
   43   HD21  ASN  10          1HD2      ASN  10  -5.812  -0.627  -9.647
   44   HD22  ASN  10          2HD2      ASN  10  -7.236  -1.534  -9.277
   45    H    ILE  11           H        ILE  11  -1.867   0.231  -8.133
   46    HA   ILE  11           HA       ILE  11   0.529  -1.179  -8.370
   47    HB   ILE  11           HB       ILE  11   0.124   1.667  -7.428
   48   HG12  ILE  11          2HG1      ILE  11  -0.825   1.282  -9.646
   49   HG13  ILE  11          1HG1      ILE  11   0.630   2.266  -9.771
   50   HG21  ILE  11          1HG2      ILE  11   2.447   2.032  -8.123
   51   HG22  ILE  11          2HG2      ILE  11   2.605   0.310  -8.478
   52   HG23  ILE  11          3HG2      ILE  11   2.330   0.849  -6.820
   53   HD11  ILE  11          3HD1      ILE  11   0.438  -0.684 -10.341
   54   HD12  ILE  11          1HD1      ILE  11   1.896   0.299 -10.467
   55   HD13  ILE  11          2HD1      ILE  11   0.528   0.608 -11.540
   56    H    PHE  12           H        PHE  12  -1.090   0.234  -5.504
   57    HA   PHE  12           HA       PHE  12   1.212  -0.236  -3.860
   58    HB2  PHE  12           2HB      PHE  12  -1.493   0.869  -3.462
   59    HB3  PHE  12           1HB      PHE  12  -0.719   0.172  -2.036
   60    HD1  PHE  12           1HD      PHE  12   0.194   2.372  -4.924
   61    HD2  PHE  12           2HD      PHE  12   0.489   1.648  -0.740
   62    HE1  PHE  12           1HE      PHE  12   1.480   4.443  -4.657
   63    HE2  PHE  12           2HE      PHE  12   1.784   3.723  -0.473
   64    HZ   PHE  12           HZ       PHE  12   2.273   5.124  -2.436
   65    H    PHE  13           H        PHE  13  -2.061  -1.758  -3.736
   66    HA   PHE  13           HA       PHE  13  -1.955  -4.283  -2.351
   67    HB2  PHE  13           2HB      PHE  13  -2.309  -4.264  -5.024
   68    HB3  PHE  13           1HB      PHE  13  -3.231  -4.895  -3.905
   69    HD1  PHE  13           2HD      PHE  13  -3.298  -1.726  -2.823
   70    HD2  PHE  13           1HD      PHE  13  -4.664  -4.086  -6.090
   71    HE1  PHE  13           2HE      PHE  13  -5.233  -0.222  -3.127
   72    HE2  PHE  13           1HE      PHE  13  -6.608  -2.621  -6.356
   73    HZ   PHE  13           HZ       PHE  13  -6.902  -0.685  -4.880
   74    H    GLU  14           H        GLU  14  -0.502  -3.472  -5.609
   75    HA   GLU  14           HA       GLU  14   0.689  -6.008  -5.998
   76    HB2  GLU  14           2HB      GLU  14   0.243  -4.196  -7.737
   77    HB3  GLU  14           1HB      GLU  14   1.683  -3.399  -7.146
   78    HG2  GLU  14           2HG      GLU  14   2.171  -4.667  -9.140
   79    HG3  GLU  14           1HG      GLU  14   3.025  -5.336  -7.751
   80    H    LEU  15           H        LEU  15   2.081  -2.893  -5.054
   81    HA   LEU  15           HA       LEU  15   4.599  -3.799  -4.195
   82    HB2  LEU  15           2HB      LEU  15   3.165  -1.697  -2.624
   83    HB3  LEU  15           1HB      LEU  15   4.846  -1.769  -3.082
   84    HG   LEU  15           HG       LEU  15   2.570  -1.124  -4.919
   85   HD11  LEU  15          1HD1      LEU  15   4.653   0.651  -3.675
   86   HD12  LEU  15          2HD1      LEU  15   2.932   0.630  -3.296
   87   HD13  LEU  15          3HD1      LEU  15   3.479   1.146  -4.892
   88   HD21  LEU  15          3HD2      LEU  15   5.550  -1.050  -5.381
   89   HD22  LEU  15          1HD2      LEU  15   4.316  -0.499  -6.515
   90   HD23  LEU  15          2HD2      LEU  15   4.419  -2.206  -6.084
   91    H    PHE  16           H        PHE  16   1.368  -4.003  -2.809
   92    HA   PHE  16           HA       PHE  16   2.265  -4.182  -0.142
   93    HB2  PHE  16           2HB      PHE  16  -0.137  -4.160  -1.778
   94    HB3  PHE  16           1HB      PHE  16  -0.295  -4.733  -0.160
   95    HD1  PHE  16           1HD      PHE  16   1.995  -2.303   0.273
   96    HD2  PHE  16           2HD      PHE  16  -2.168  -2.664  -0.893
   97    HE1  PHE  16           1HE      PHE  16   1.536  -0.029   1.078
   98    HE2  PHE  16           2HE      PHE  16  -2.540  -0.414  -0.064
   99    HZ   PHE  16           HZ       PHE  16  -0.737   0.884   0.903
  100    H    ASP  17           H        ASP  17   1.319  -6.290  -2.716
  101    HA   ASP  17           HA       ASP  17   1.533  -8.714  -1.182
  102    HB2  ASP  17           2HB      ASP  17   0.161  -8.310  -3.338
  103    HB3  ASP  17           1HB      ASP  17   1.685  -8.545  -4.176
  104    H    ARG  18           H        ARG  18   3.504  -6.884  -3.392
  105    HA   ARG  18           HA       ARG  18   5.665  -8.526  -3.829
  106    HB2  ARG  18           2HB      ARG  18   5.551  -6.384  -4.885
  107    HB3  ARG  18           1HB      ARG  18   5.558  -5.553  -3.343
  108    HG2  ARG  18           2HG      ARG  18   7.859  -6.229  -2.966
  109    HG3  ARG  18           1HG      ARG  18   7.860  -7.114  -4.491
  110    HD2  ARG  18           2HD      ARG  18   7.670  -5.136  -5.754
  111    HD3  ARG  18           1HD      ARG  18   7.223  -4.185  -4.343
  112    HE   ARG  18           HE       ARG  18   9.851  -5.337  -4.158
  113   HH11  ARG  18          1HH1      ARG  18   8.007  -2.681  -5.470
  114   HH12  ARG  18          2HH1      ARG  18   9.307  -1.537  -5.341
  115   HH21  ARG  18          1HH2      ARG  18  11.600  -3.863  -4.055
  116   HH22  ARG  18          2HH2      ARG  18  11.371  -2.223  -4.599
  117    H    TYR  19           H        TYR  19   4.880  -6.717  -0.934
  118    HA   TYR  19           HA       TYR  19   7.225  -7.906   0.388
  119    HB2  TYR  19           2HB      TYR  19   5.776  -5.313   0.844
  120    HB3  TYR  19           1HB      TYR  19   6.706  -6.054   2.145
  121    HD1  TYR  19           2HD      TYR  19   9.148  -6.698   1.576
  122    HD2  TYR  19           1HD      TYR  19   6.885  -3.884  -0.688
  123    HE1  TYR  19           2HE      TYR  19  11.227  -5.743   0.689
  124    HE2  TYR  19           1HE      TYR  19   8.960  -2.932  -1.578
  125    HH   TYR  19           HH       TYR  19  11.394  -2.792  -0.787
  126    H    LYS  20           H        LYS  20   4.337  -8.748  -0.178
  127    HA   LYS  20           HA       LYS  20   2.508  -9.654   0.852
  128    HB2  LYS  20           2HB      LYS  20   4.795 -10.992   2.233
  129    HB3  LYS  20           1HB      LYS  20   3.142 -11.558   2.344
  130    HG2  LYS  20           2HG      LYS  20   3.903 -12.904   0.673
  131    HG3  LYS  20           1HG      LYS  20   3.310 -11.547  -0.282
  132    HD2  LYS  20           2HD      LYS  20   5.671 -10.629  -0.177
  133    HD3  LYS  20           1HD      LYS  20   6.152 -12.204   0.458
  134    HE2  LYS  20           2HE      LYS  20   4.890 -11.613  -2.214
  135    HE3  LYS  20           1HE      LYS  20   6.528 -12.185  -1.912
  136    HZ1  LYS  20           3HZ      LYS  20   5.138 -13.992  -2.640
  137    HZ2  LYS  20           1HZ      LYS  20   4.016 -13.694  -1.404
  138    HZ3  LYS  20           2HZ      LYS  20   5.570 -14.248  -1.020
  139    H    LEU  21           H        LEU  21   1.850  -7.665   1.848
  140    HA   LEU  21           HA       LEU  21   2.475  -7.205   4.623
  141    HB2  LEU  21           2HB      LEU  21   0.468  -6.117   2.655
  142    HB3  LEU  21           1HB      LEU  21   0.587  -5.492   4.278
  143    HG   LEU  21           HG       LEU  21   2.501  -5.329   2.041
  144   HD11  LEU  21          1HD1      LEU  21   1.299  -3.244   3.804
  145   HD12  LEU  21          2HD1      LEU  21   0.861  -3.592   2.132
  146   HD13  LEU  21          3HD1      LEU  21   2.455  -2.939   2.508
  147   HD21  LEU  21          3HD2      LEU  21   3.857  -6.028   3.908
  148   HD22  LEU  21          1HD2      LEU  21   3.163  -4.749   4.904
  149   HD23  LEU  21          2HD2      LEU  21   4.180  -4.338   3.523
  150    H    ASP  22           H        ASP  22   0.391  -6.829   6.003
  151    HA   ASP  22           HA       ASP  22  -1.677  -8.832   5.394
  152    HB2  ASP  22           2HB      ASP  22  -0.414  -9.013   7.664
  153    HB3  ASP  22           1HB      ASP  22  -1.345  -7.593   8.115
  154    H    LYS  23           H        LYS  23  -3.198  -7.912   4.422
  155    HA   LYS  23           HA       LYS  23  -3.446  -5.044   4.264
  156    HB2  LYS  23           2HB      LYS  23  -5.173  -7.178   3.043
  157    HB3  LYS  23           1HB      LYS  23  -5.043  -5.481   2.554
  158    HG2  LYS  23           2HG      LYS  23  -3.251  -5.996   1.263
  159    HG3  LYS  23           1HG      LYS  23  -2.471  -6.466   2.757
  160    HD2  LYS  23           2HD      LYS  23  -4.190  -8.582   2.117
  161    HD3  LYS  23           1HD      LYS  23  -3.251  -8.163   0.669
  162    HE2  LYS  23           2HE      LYS  23  -2.328  -9.095   3.322
  163    HE3  LYS  23           1HE      LYS  23  -1.721  -9.482   1.714
  164    HZ1  LYS  23           3HZ      LYS  23  -0.087  -8.140   2.631
  165    HZ2  LYS  23           1HZ      LYS  23  -1.165  -7.005   3.366
  166    HZ3  LYS  23           2HZ      LYS  23  -0.956  -7.079   1.653
  167    H    PHE  24           H        PHE  24  -4.485  -7.230   6.493
  168    HA   PHE  24           HA       PHE  24  -6.998  -5.825   7.107
  169    HB2  PHE  24           2HB      PHE  24  -6.181  -8.641   7.863
  170    HB3  PHE  24           1HB      PHE  24  -7.700  -7.866   8.289
  171    HD1  PHE  24           1HD      PHE  24  -5.742  -9.365   5.581
  172    HD2  PHE  24           2HD      PHE  24  -9.480  -7.663   6.694
  173    HE1  PHE  24           1HE      PHE  24  -6.753 -10.256   3.525
  174    HE2  PHE  24           2HE      PHE  24 -10.499  -8.551   4.637
  175    HZ   PHE  24           HZ       PHE  24  -9.134  -9.851   3.052
  176    H    SER  25           H        SER  25  -4.152  -7.417   8.503
  177    HA   SER  25           HA       SER  25  -4.580  -7.134  11.182
  178    HB2  SER  25           2HB      SER  25  -2.677  -8.354  10.215
  179    HB3  SER  25           1HB      SER  25  -1.919  -6.836   9.753
  180    HG   SER  25           HG       SER  25  -2.059  -8.078  12.208
  181    H    THR  26           H        THR  26  -2.191  -4.937   9.706
  182    HA   THR  26           HA       THR  26  -3.630  -2.624  10.894
  183    HB   THR  26           HB       THR  26  -1.022  -1.862  11.117
  184    HG1  THR  26           1HG      THR  26  -1.195  -4.566  12.076
  185   HG21  THR  26          3HG2      THR  26  -1.331  -2.107  13.547
  186   HG22  THR  26          1HG2      THR  26  -2.713  -3.169  13.273
  187   HG23  THR  26          2HG2      THR  26  -2.787  -1.479  12.776
  188    H    TRP  27           H        TRP  27  -3.159  -0.770   9.985
  189    HA   TRP  27           HA       TRP  27  -2.733  -1.017   7.159
  190    HB2  TRP  27           2HB      TRP  27  -4.019   0.861   7.643
  191    HB3  TRP  27           1HB      TRP  27  -3.073   1.263   9.072
  192    HD1  TRP  27           HD       TRP  27  -2.022   3.582   8.550
  193    HE1  TRP  27           1HE      TRP  27  -0.829   4.747   6.731
  194    HE3  TRP  27           3HE      TRP  27  -2.504  -0.048   5.138
  195    HZ2  TRP  27           2HZ      TRP  27  -0.282   4.284   4.099
  196    HZ3  TRP  27           3HZ      TRP  27  -1.715   0.498   2.873
  197    HH2  TRP  27           HH       TRP  27  -0.775   2.684   2.487
  198    H    SER  28           H        SER  28  -0.921   0.427   9.830
  199    HA   SER  28           HA       SER  28   1.179   0.832   7.993
  200    HB2  SER  28           2HB      SER  28   2.433   1.564   9.848
  201    HB3  SER  28           1HB      SER  28   1.222   2.601   9.182
  202    HG   SER  28           HG       SER  28   1.463   2.015  11.712
  203    H    LEU  29           H        LEU  29   0.821  -1.492  10.619
  204    HA   LEU  29           HA       LEU  29   3.516  -2.096  10.910
  205    HB2  LEU  29           2HB      LEU  29   1.381  -3.307  11.898
  206    HB3  LEU  29           1HB      LEU  29   1.556  -4.335  10.493
  207    HG   LEU  29           HG       LEU  29   3.860  -4.901  11.219
  208   HD11  LEU  29          1HD1      LEU  29   4.543  -4.355  13.504
  209   HD12  LEU  29          2HD1      LEU  29   3.096  -3.366  13.701
  210   HD13  LEU  29          3HD1      LEU  29   4.328  -2.901  12.530
  211   HD21  LEU  29          3HD2      LEU  29   1.679  -5.452  13.229
  212   HD22  LEU  29          1HD2      LEU  29   3.177  -6.367  13.057
  213   HD23  LEU  29          2HD2      LEU  29   1.989  -6.367  11.755
  214    H    GLN  30           H        GLN  30   1.318  -2.488   8.383
  215    HA   GLN  30           HA       GLN  30   3.188  -3.925   6.686
  216    HB2  GLN  30           2HB      GLN  30   0.349  -3.096   5.895
  217    HB3  GLN  30           1HB      GLN  30   1.478  -4.031   4.982
  218    HG2  GLN  30           2HG      GLN  30  -0.436  -5.102   6.325
  219    HG3  GLN  30           1HG      GLN  30   1.065  -5.904   6.126
  220   HE21  GLN  30          1HE2      GLN  30  -0.999  -4.326   8.393
  221   HE22  GLN  30          2HE2      GLN  30  -0.160  -4.862   9.816
  222    H    SER  31           H        SER  31   1.631  -0.705   6.856
  223    HA   SER  31           HA       SER  31   3.102   0.240   4.655
  224    HB2  SER  31           2HB      SER  31   2.154   2.447   5.025
  225    HB3  SER  31           1HB      SER  31   0.977   1.172   4.777
  226    HG   SER  31           HG       SER  31   0.364   2.409   6.537
  227    H    LYS  32           H        LYS  32   3.498   0.959   8.067
  228    HA   LYS  32           HA       LYS  32   5.679   2.726   7.650
  229    HB2  LYS  32           2HB      LYS  32   6.244   2.395   9.983
  230    HB3  LYS  32           1HB      LYS  32   4.505   2.561   9.830
  231    HG2  LYS  32           2HG      LYS  32   4.312   0.090   9.992
  232    HG3  LYS  32           1HG      LYS  32   6.043   0.011  10.304
  233    HD2  LYS  32           2HD      LYS  32   3.977   1.445  11.972
  234    HD3  LYS  32           1HD      LYS  32   4.810  -0.051  12.394
  235    HE2  LYS  32           2HE      LYS  32   6.207   2.575  11.908
  236    HE3  LYS  32           1HE      LYS  32   5.707   2.011  13.500
  237    HZ1  LYS  32           3HZ      LYS  32   7.594   0.587  11.695
  238    HZ2  LYS  32           1HZ      LYS  32   7.130   0.093  13.251
  239    HZ3  LYS  32           2HZ      LYS  32   8.031   1.516  13.046
  240    H    LYS  33           H        LYS  33   5.204  -0.394   6.923
  241    HA   LYS  33           HA       LYS  33   7.974  -1.297   7.311
  242    HB2  LYS  33           2HB      LYS  33   6.293  -2.918   7.921
  243    HB3  LYS  33           1HB      LYS  33   5.478  -2.724   6.378
  244    HG2  LYS  33           2HG      LYS  33   7.455  -3.676   5.257
  245    HG3  LYS  33           1HG      LYS  33   8.183  -3.963   6.839
  246    HD2  LYS  33           2HD      LYS  33   5.581  -5.120   5.838
  247    HD3  LYS  33           1HD      LYS  33   7.115  -5.983   5.961
  248    HE2  LYS  33           2HE      LYS  33   5.666  -4.743   8.294
  249    HE3  LYS  33           1HE      LYS  33   5.529  -6.437   7.829
  250    HZ1  LYS  33           3HZ      LYS  33   8.056  -5.078   8.610
  251    HZ2  LYS  33           1HZ      LYS  33   7.878  -6.721   8.219
  252    HZ3  LYS  33           2HZ      LYS  33   7.137  -6.091   9.609
  253    H    ILE  34           H        ILE  34   5.584  -0.672   4.773
  254    HA   ILE  34           HA       ILE  34   7.557  -1.014   2.673
  255    HB   ILE  34           HB       ILE  34   5.858  -0.670   1.110
  256   HG12  ILE  34          2HG1      ILE  34   3.726   0.339   3.007
  257   HG13  ILE  34          1HG1      ILE  34   5.005   1.432   2.509
  258   HG21  ILE  34          1HG2      ILE  34   3.996  -2.096   1.808
  259   HG22  ILE  34          2HG2      ILE  34   4.548  -1.973   3.480
  260   HG23  ILE  34          3HG2      ILE  34   5.568  -2.754   2.269
  261   HD11  ILE  34          3HD1      ILE  34   4.482   1.007   0.167
  262   HD12  ILE  34          1HD1      ILE  34   3.052   1.554   1.042
  263   HD13  ILE  34          2HD1      ILE  34   3.247  -0.156   0.651
  264    H    GLU  35           H        GLU  35   6.867   1.229   4.859
  265    HA   GLU  35           HA       GLU  35   6.539   3.702   3.877
  266    HB2  GLU  35           2HB      GLU  35   6.883   2.917   6.271
  267    HB3  GLU  35           1HB      GLU  35   8.604   3.130   5.982
  268    HG2  GLU  35           2HG      GLU  35   7.470   5.494   5.117
  269    HG3  GLU  35           1HG      GLU  35   6.571   5.058   6.553
  270    H    ASN  36           H        ASN  36   9.753   3.033   4.954
  271    HA   ASN  36           HA       ASN  36  11.154   4.881   3.532
  272    HB2  ASN  36           2HB      ASN  36  12.166   3.657   5.332
  273    HB3  ASN  36           1HB      ASN  36  12.053   2.145   4.440
  274   HD21  ASN  36          1HD2      ASN  36  13.594   1.626   2.982
  275   HD22  ASN  36          2HD2      ASN  36  15.017   2.575   2.705
  276    H    ASP  37           H        ASP  37   9.941   1.876   2.242
  277    HA   ASP  37           HA       ASP  37  11.566   1.710  -0.059
  278    HB2  ASP  37           2HB      ASP  37   8.745   0.750   0.458
  279    HB3  ASP  37           1HB      ASP  37   9.630   0.377  -1.018
  280    HA   PRO  38           HA       PRO  38  10.306   5.315  -2.313
  281    HB2  PRO  38           2HB      PRO  38  10.902   3.630  -4.683
  282    HB3  PRO  38           1HB      PRO  38  11.530   5.222  -4.247
  283    HG2  PRO  38           2HG      PRO  38  13.039   3.037  -4.003
  284    HG3  PRO  38           1HG      PRO  38  13.122   4.351  -2.815
  285    HD2  PRO  38           2HD      PRO  38  11.795   1.683  -2.609
  286    HD3  PRO  38           1HD      PRO  38  12.649   2.624  -1.367
  287    H    ASP  39           H        ASP  39   8.872   2.245  -2.534
  288    HA   ASP  39           HA       ASP  39   6.974   2.905  -4.575
  289    HB2  ASP  39           2HB      ASP  39   7.367   0.511  -2.805
  290    HB3  ASP  39           1HB      ASP  39   5.980   0.656  -3.885
  291    H    PHE  40           H        PHE  40   6.995   2.905  -1.041
  292    HA   PHE  40           HA       PHE  40   4.231   3.350  -0.624
  293    HB2  PHE  40           2HB      PHE  40   6.210   3.039   1.050
  294    HB3  PHE  40           1HB      PHE  40   6.381   4.776   0.917
  295    HD1  PHE  40           1HD      PHE  40   3.031   3.043   1.059
  296    HD2  PHE  40           2HD      PHE  40   6.019   5.247   3.158
  297    HE1  PHE  40           1HE      PHE  40   1.561   3.221   2.957
  298    HE2  PHE  40           2HE      PHE  40   4.504   5.422   5.076
  299    HZ   PHE  40           HZ       PHE  40   2.300   4.352   4.963
  300    H    TYR  41           H        TYR  41   6.799   5.287  -1.871
  301    HA   TYR  41           HA       TYR  41   5.255   7.749  -1.729
  302    HB2  TYR  41           2HB      TYR  41   8.068   7.273  -2.734
  303    HB3  TYR  41           1HB      TYR  41   7.303   8.842  -2.513
  304    HD1  TYR  41           2HD      TYR  41   6.127   8.861   0.052
  305    HD2  TYR  41           1HD      TYR  41   9.698   6.887  -1.153
  306    HE1  TYR  41           2HE      TYR  41   6.946   8.933   2.371
  307    HE2  TYR  41           1HE      TYR  41  10.523   6.948   1.160
  308    HH   TYR  41           HH       TYR  41   8.524   7.799   3.810
  309    H    LYS  42           H        LYS  42   5.039   5.236  -3.707
  310    HA   LYS  42           HA       LYS  42   5.157   6.294  -6.311
  311    HB2  LYS  42           2HB      LYS  42   3.455   4.171  -5.026
  312    HB3  LYS  42           1HB      LYS  42   3.125   4.670  -6.676
  313    HG2  LYS  42           2HG      LYS  42   5.748   3.573  -5.684
  314    HG3  LYS  42           1HG      LYS  42   4.518   2.654  -6.551
  315    HD2  LYS  42           2HD      LYS  42   4.756   4.328  -8.420
  316    HD3  LYS  42           1HD      LYS  42   6.161   4.965  -7.565
  317    HE2  LYS  42           2HE      LYS  42   5.816   2.144  -8.579
  318    HE3  LYS  42           1HE      LYS  42   6.834   3.388  -9.300
  319    HZ1  LYS  42           3HZ      LYS  42   7.221   1.930  -6.755
  320    HZ2  LYS  42           1HZ      LYS  42   7.986   3.424  -7.035
  321    HZ3  LYS  42           2HZ      LYS  42   8.292   2.110  -8.056
  322    H    ILE  43           H        ILE  43   2.734   6.453  -3.796
  323    HA   ILE  43           HA       ILE  43   1.399   8.622  -5.266
  324    HB   ILE  43           HB       ILE  43   0.224   6.756  -3.193
  325   HG12  ILE  43          2HG1      ILE  43   0.454   5.698  -5.375
  326   HG13  ILE  43          1HG1      ILE  43  -1.236   6.028  -5.027
  327   HG21  ILE  43          1HG2      ILE  43  -1.901   7.905  -3.616
  328   HG22  ILE  43          2HG2      ILE  43  -1.065   9.047  -4.667
  329   HG23  ILE  43          3HG2      ILE  43  -0.687   8.996  -2.946
  330   HD11  ILE  43          3HD1      ILE  43  -1.165   7.986  -6.475
  331   HD12  ILE  43          1HD1      ILE  43  -0.705   6.521  -7.342
  332   HD13  ILE  43          2HD1      ILE  43   0.534   7.664  -6.821
  333    H    ARG  44           H        ARG  44   1.395  10.565  -4.307
  334    HA   ARG  44           HA       ARG  44   2.990  10.840  -1.907
  335    HB2  ARG  44           2HB      ARG  44   3.244  13.084  -2.436
  336    HB3  ARG  44           1HB      ARG  44   3.096  12.341  -4.016
  337    HG2  ARG  44           2HG      ARG  44   0.936  13.828  -2.533
  338    HG3  ARG  44           1HG      ARG  44   1.858  14.419  -3.913
  339    HD2  ARG  44           2HD      ARG  44  -0.088  12.118  -3.880
  340    HD3  ARG  44           1HD      ARG  44  -0.328  13.694  -4.627
  341    HE   ARG  44           HE       ARG  44   1.894  12.755  -5.872
  342   HH11  ARG  44          1HH1      ARG  44  -1.317  11.431  -5.303
  343   HH12  ARG  44          2HH1      ARG  44  -1.317  10.511  -6.786
  344   HH21  ARG  44          1HH2      ARG  44   1.878  11.537  -7.799
  345   HH22  ARG  44          2HH2      ARG  44   0.493  10.553  -8.191
  346    H    ASP  45           H        ASP  45  -0.220  10.418  -2.611
  347    HA   ASP  45           HA       ASP  45  -1.241  11.860  -0.298
  348    HB2  ASP  45           2HB      ASP  45  -2.754   9.983  -2.127
  349    HB3  ASP  45           1HB      ASP  45  -3.429  11.179  -1.027
  350    H    ASP  46           H        ASP  46  -0.593  10.864   1.527
  351    HA   ASP  46           HA       ASP  46  -0.405   8.045   1.845
  352    HB2  ASP  46           2HB      ASP  46   0.769   9.736   3.290
  353    HB3  ASP  46           1HB      ASP  46  -0.785  10.112   4.028
  354    H    THR  47           H        THR  47  -2.959  10.368   2.193
  355    HA   THR  47           HA       THR  47  -4.812   8.838   3.661
  356    HB   THR  47           HB       THR  47  -5.620  10.853   1.577
  357    HG1  THR  47           1HG      THR  47  -5.188  12.455   3.264
  358   HG21  THR  47          3HG2      THR  47  -6.631  10.236   4.358
  359   HG22  THR  47          1HG2      THR  47  -7.394   9.746   2.844
  360   HG23  THR  47          2HG2      THR  47  -7.294  11.455   3.269
  361    H    VAL  48           H        VAL  48  -3.680   8.491   0.469
  362    HA   VAL  48           HA       VAL  48  -6.042   6.952  -0.345
  363    HB   VAL  48           HB       VAL  48  -3.646   7.833  -1.977
  364   HG11  VAL  48          1HG1      VAL  48  -4.905   7.043  -3.923
  365   HG12  VAL  48          2HG1      VAL  48  -6.164   6.423  -2.855
  366   HG13  VAL  48          3HG1      VAL  48  -4.546   5.724  -2.806
  367   HG21  VAL  48          3HG2      VAL  48  -6.502   8.806  -1.976
  368   HG22  VAL  48          1HG2      VAL  48  -5.237   9.330  -3.088
  369   HG23  VAL  48          2HG2      VAL  48  -5.099   9.685  -1.367
  370    H    ARG  49           H        ARG  49  -2.662   6.709   0.441
  371    HA   ARG  49           HA       ARG  49  -1.964   4.211  -0.577
  372    HB2  ARG  49           2HB      ARG  49  -1.130   5.431   2.067
  373    HB3  ARG  49           1HB      ARG  49  -0.304   4.121   1.251
  374    HG2  ARG  49           2HG      ARG  49   0.264   5.605  -0.584
  375    HG3  ARG  49           1HG      ARG  49  -0.603   6.906   0.228
  376    HD2  ARG  49           2HD      ARG  49   0.908   6.678   2.159
  377    HD3  ARG  49           1HD      ARG  49   1.802   5.444   1.278
  378    HE   ARG  49           HE       ARG  49   2.034   7.427  -0.426
  379   HH11  ARG  49          1HH1      ARG  49   2.160   7.584   3.072
  380   HH12  ARG  49          2HH1      ARG  49   3.357   8.850   3.093
  381   HH21  ARG  49          1HH2      ARG  49   3.596   9.099  -0.392
  382   HH22  ARG  49          2HH2      ARG  49   4.173   9.712   1.133
  383    H    GLU  50           H        GLU  50  -3.462   4.938   2.596
  384    HA   GLU  50           HA       GLU  50  -3.380   2.117   3.111
  385    HB2  GLU  50           2HB      GLU  50  -4.880   3.136   5.094
  386    HB3  GLU  50           1HB      GLU  50  -3.262   2.715   5.178
  387    HG2  GLU  50           2HG      GLU  50  -3.638   4.714   6.137
  388    HG3  GLU  50           1HG      GLU  50  -2.592   4.941   4.862
  389    H    SER  51           H        SER  51  -5.766   4.401   2.093
  390    HA   SER  51           HA       SER  51  -7.966   2.674   2.215
  391    HB2  SER  51           2HB      SER  51  -7.295   4.693   0.059
  392    HB3  SER  51           1HB      SER  51  -8.888   3.991   0.348
  393    HG   SER  51           HG       SER  51  -8.103   4.923   2.659
  394    H    LEU  52           H        LEU  52  -5.039   2.232   0.590
  395    HA   LEU  52           HA       LEU  52  -6.030   1.002  -1.702
  396    HB2  LEU  52           2HB      LEU  52  -3.464   1.706  -0.652
  397    HB3  LEU  52           1HB      LEU  52  -3.408   0.294  -1.588
  398    HG   LEU  52           HG       LEU  52  -3.665   1.420  -3.576
  399   HD11  LEU  52          1HD1      LEU  52  -5.412   3.428  -2.152
  400   HD12  LEU  52          2HD1      LEU  52  -5.979   2.055  -3.102
  401   HD13  LEU  52          3HD1      LEU  52  -5.104   3.370  -3.887
  402   HD21  LEU  52          3HD2      LEU  52  -1.815   2.569  -2.473
  403   HD22  LEU  52          1HD2      LEU  52  -2.947   3.728  -1.775
  404   HD23  LEU  52          2HD2      LEU  52  -2.714   3.665  -3.522
  405    H    PHE  53           H        PHE  53  -4.312   0.166   0.683
  406    HA   PHE  53           HA       PHE  53  -3.813  -2.397   0.750
  407    HB2  PHE  53           2HB      PHE  53  -2.989  -0.795   2.058
  408    HB3  PHE  53           1HB      PHE  53  -4.584   0.057   2.016
  409    HD1  PHE  53           1HD      PHE  53  -2.541  -2.625   3.532
  410    HD2  PHE  53           2HD      PHE  53  -6.003  -0.241   3.947
  411    HE1  PHE  53           1HE      PHE  53  -2.803  -3.449   5.854
  412    HE2  PHE  53           2HE      PHE  53  -6.305  -1.039   6.270
  413    HZ   PHE  53           HZ       PHE  53  -4.694  -2.649   7.224
  414    H    GLU  54           H        GLU  54  -6.760  -0.697   1.860
  415    HA   GLU  54           HA       GLU  54  -8.064  -2.968   2.967
  416    HB2  GLU  54           2HB      GLU  54  -9.819  -0.806   2.035
  417    HB3  GLU  54           1HB      GLU  54  -9.690  -1.545   3.624
  418    HG2  GLU  54           2HG      GLU  54  -7.690  -0.203   4.061
  419    HG3  GLU  54           1HG      GLU  54  -7.889   0.556   2.476
  420    H    GLU  55           H        GLU  55  -8.223  -1.343  -0.175
  421    HA   GLU  55           HA       GLU  55 -10.386  -3.005  -1.059
  422    HB2  GLU  55           2HB      GLU  55  -8.362  -1.537  -2.769
  423    HB3  GLU  55           1HB      GLU  55  -9.898  -2.190  -3.316
  424    HG2  GLU  55           2HG      GLU  55 -10.944  -0.592  -1.612
  425    HG3  GLU  55           1HG      GLU  55  -9.373   0.203  -1.605
  426    H    TRP  56           H        TRP  56  -6.898  -3.020  -1.619
  427    HA   TRP  56           HA       TRP  56  -6.750  -5.224  -3.277
  428    HB2  TRP  56           2HB      TRP  56  -4.903  -3.876  -3.108
  429    HB3  TRP  56           1HB      TRP  56  -4.873  -4.037  -1.375
  430    HD1  TRP  56           HD       TRP  56  -4.188  -6.495  -4.167
  431    HE1  TRP  56           1HE      TRP  56  -2.427  -8.156  -3.348
  432    HE3  TRP  56           3HE      TRP  56  -3.536  -4.127  -0.507
  433    HZ2  TRP  56           2HZ      TRP  56  -0.752  -8.132  -1.105
  434    HZ3  TRP  56           3HZ      TRP  56  -1.796  -4.546   0.566
  435    HH2  TRP  56           HH       TRP  56  -0.400  -6.506   0.695
  436    H    CYS  57           H        CYS  57  -7.187  -4.971   0.027
  437    HA   CYS  57           HA       CYS  57  -6.145  -7.344   1.079
  438    HB2  CYS  57           2HB      CYS  57  -7.157  -6.782   3.059
  439    HB3  CYS  57           1HB      CYS  57  -7.228  -5.220   2.257
  440    HG   CYS  57           HG       CYS  57  -9.838  -5.071   1.958
  441    H    GLY  58           H        GLY  58  -9.327  -6.521  -0.250
  442    HA2  GLY  58           2HA      GLY  58  -9.836  -9.406  -0.656
  443    HA3  GLY  58           1HA      GLY  58 -11.098  -8.364   0.002
  444    H    GLU  59           H        GLU  59  -8.691  -7.714  -2.434
  445    HA   GLU  59           HA       GLU  59 -10.715  -6.472  -4.094
  446    HB2  GLU  59           2HB      GLU  59  -8.164  -5.769  -3.367
  447    HB3  GLU  59           1HB      GLU  59  -7.886  -6.516  -4.966
  448    HG2  GLU  59           2HG      GLU  59  -9.610  -4.135  -4.317
  449    HG3  GLU  59           1HG      GLU  59  -8.164  -4.185  -5.318
  Start of MODEL    2
    1    H1   ASP   5           H        ASP   5  -6.105   7.000 -11.824
    2    HA   ASP   5           HA       ASP   5  -8.054   6.988  -9.707
    3    HB2  ASP   5           2HB      ASP   5  -8.980   8.838 -10.948
    4    HB3  ASP   5           1HB      ASP   5  -8.829   7.960 -12.465
    5    H    ILE   6           H        ILE   6  -8.344   4.956  -9.381
    6    HA   ILE   6           HA       ILE   6  -7.902   2.744  -9.524
    7    HB   ILE   6           HB       ILE   6  -9.267   1.479 -11.136
    8   HG12  ILE   6          2HG1      ILE   6 -10.272   4.177 -12.074
    9   HG13  ILE   6          1HG1      ILE   6  -9.282   3.073 -13.024
   10   HG21  ILE   6          1HG2      ILE   6 -10.159   2.083  -8.981
   11   HG22  ILE   6          2HG2      ILE   6 -11.441   2.144 -10.190
   12   HG23  ILE   6          3HG2      ILE   6 -10.705   3.637  -9.608
   13   HD11  ILE   6          3HD1      ILE   6 -11.066   1.422 -12.980
   14   HD12  ILE   6          1HD1      ILE   6 -11.626   2.950 -13.657
   15   HD13  ILE   6          2HD1      ILE   6 -12.056   2.507 -12.006
   16    H    ASP   7           H        ASP   7  -5.902   2.574  -9.861
   17    HA   ASP   7           HA       ASP   7  -4.578   1.521 -11.780
   18    HB2  ASP   7           2HB      ASP   7  -3.550   2.999 -13.360
   19    HB3  ASP   7           1HB      ASP   7  -5.289   3.240 -13.422
   20    H    GLU   8           H        GLU   8  -4.615   3.762 -10.009
   21    HA   GLU   8           HA       GLU   8  -1.901   4.060  -9.108
   22    HB2  GLU   8           2HB      GLU   8  -2.636   5.859  -7.792
   23    HB3  GLU   8           1HB      GLU   8  -3.704   5.902  -9.181
   24    HG2  GLU   8           2HG      GLU   8  -4.432   4.646  -6.542
   25    HG3  GLU   8           1HG      GLU   8  -4.798   6.313  -6.972
   26    H    ARG   9           H        ARG   9  -4.822   2.579  -7.981
   27    HA   ARG   9           HA       ARG   9  -3.963   2.139  -5.309
   28    HB2  ARG   9           2HB      ARG   9  -6.147   1.177  -5.041
   29    HB3  ARG   9           1HB      ARG   9  -6.296   2.540  -6.102
   30    HG2  ARG   9           2HG      ARG   9  -6.235   0.876  -8.001
   31    HG3  ARG   9           1HG      ARG   9  -6.486  -0.365  -6.766
   32    HD2  ARG   9           2HD      ARG   9  -8.597   0.358  -7.747
   33    HD3  ARG   9           1HD      ARG   9  -8.507   0.815  -6.038
   34    HE   ARG   9           HE       ARG   9  -7.712   2.716  -8.111
   35   HH11  ARG   9          1HH1      ARG   9  -9.855   1.780  -5.486
   36   HH12  ARG   9          2HH1      ARG   9 -10.539   3.376  -5.307
   37   HH21  ARG   9          1HH2      ARG   9  -8.528   4.871  -7.751
   38   HH22  ARG   9          2HH2      ARG   9  -9.793   5.111  -6.584
   39    H    ASN  10           H        ASN  10  -4.396   0.050  -8.094
   40    HA   ASN  10           HA       ASN  10  -3.783  -2.425  -6.766
   41    HB2  ASN  10           2HB      ASN  10  -3.583  -1.869  -9.761
   42    HB3  ASN  10           1HB      ASN  10  -4.078  -3.357  -8.947
   43   HD21  ASN  10          1HD2      ASN  10  -5.049  -0.093  -9.799
   44   HD22  ASN  10          2HD2      ASN  10  -6.737  -0.262  -9.421
   45    H    ILE  11           H        ILE  11  -1.928   0.179  -7.909
   46    HA   ILE  11           HA       ILE  11   0.529  -1.165  -8.262
   47    HB   ILE  11           HB       ILE  11  -0.061   1.658  -7.357
   48   HG12  ILE  11          2HG1      ILE  11   0.892   0.535 -10.003
   49   HG13  ILE  11          1HG1      ILE  11  -0.727   1.135  -9.665
   50   HG21  ILE  11          1HG2      ILE  11   2.591   0.431  -8.105
   51   HG22  ILE  11          2HG2      ILE  11   2.106   0.958  -6.493
   52   HG23  ILE  11          3HG2      ILE  11   2.301   2.141  -7.786
   53   HD11  ILE  11          3HD1      ILE  11   1.801   2.767  -9.631
   54   HD12  ILE  11          1HD1      ILE  11   0.179   3.370  -9.295
   55   HD13  ILE  11          2HD1      ILE  11   0.578   2.762 -10.901
   56    H    PHE  12           H        PHE  12  -1.157   0.163  -5.373
   57    HA   PHE  12           HA       PHE  12   1.170  -0.330  -3.769
   58    HB2  PHE  12           2HB      PHE  12  -1.513   0.793  -3.262
   59    HB3  PHE  12           1HB      PHE  12  -0.666   0.092  -1.886
   60    HD1  PHE  12           1HD      PHE  12   0.338   2.136  -4.838
   61    HD2  PHE  12           2HD      PHE  12   0.372   1.729  -0.599
   62    HE1  PHE  12           1HE      PHE  12   1.671   4.193  -4.645
   63    HE2  PHE  12           2HE      PHE  12   1.703   3.776  -0.406
   64    HZ   PHE  12           HZ       PHE  12   2.353   5.013  -2.431
   65    H    PHE  13           H        PHE  13  -2.118  -1.865  -3.626
   66    HA   PHE  13           HA       PHE  13  -1.921  -4.418  -2.293
   67    HB2  PHE  13           2HB      PHE  13  -2.308  -4.467  -4.955
   68    HB3  PHE  13           1HB      PHE  13  -3.219  -5.053  -3.817
   69    HD1  PHE  13           2HD      PHE  13  -3.435  -1.955  -2.766
   70    HD2  PHE  13           1HD      PHE  13  -4.549  -4.312  -6.131
   71    HE1  PHE  13           2HE      PHE  13  -5.409  -0.517  -3.152
   72    HE2  PHE  13           1HE      PHE  13  -6.529  -2.919  -6.476
   73    HZ   PHE  13           HZ       PHE  13  -6.961  -1.027  -4.996
   74    H    GLU  14           H        GLU  14  -0.448  -3.438  -5.526
   75    HA   GLU  14           HA       GLU  14   0.770  -5.948  -6.062
   76    HB2  GLU  14           2HB      GLU  14   0.382  -4.238  -7.786
   77    HB3  GLU  14           1HB      GLU  14   1.524  -3.180  -7.012
   78    HG2  GLU  14           2HG      GLU  14   2.482  -4.239  -8.979
   79    HG3  GLU  14           1HG      GLU  14   3.337  -4.688  -7.510
   80    H    LEU  15           H        LEU  15   2.085  -2.877  -5.013
   81    HA   LEU  15           HA       LEU  15   4.621  -3.763  -4.171
   82    HB2  LEU  15           2HB      LEU  15   3.133  -1.728  -2.552
   83    HB3  LEU  15           1HB      LEU  15   4.832  -1.775  -2.966
   84    HG   LEU  15           HG       LEU  15   2.589  -1.091  -4.830
   85   HD11  LEU  15          1HD1      LEU  15   2.924   0.630  -3.169
   86   HD12  LEU  15          2HD1      LEU  15   3.505   1.178  -4.742
   87   HD13  LEU  15          3HD1      LEU  15   4.654   0.652  -3.512
   88   HD21  LEU  15          3HD2      LEU  15   4.453  -2.144  -6.002
   89   HD22  LEU  15          1HD2      LEU  15   5.576  -1.007  -5.255
   90   HD23  LEU  15          2HD2      LEU  15   4.358  -0.427  -6.391
   91    H    PHE  16           H        PHE  16   1.386  -4.066  -2.786
   92    HA   PHE  16           HA       PHE  16   2.364  -4.363  -0.123
   93    HB2  PHE  16           2HB      PHE  16  -0.114  -4.257  -1.717
   94    HB3  PHE  16           1HB      PHE  16  -0.221  -4.840  -0.103
   95    HD1  PHE  16           1HD      PHE  16   2.070  -2.424   0.350
   96    HD2  PHE  16           2HD      PHE  16  -2.101  -2.723  -0.822
   97    HE1  PHE  16           1HE      PHE  16   1.619  -0.164   1.211
   98    HE2  PHE  16           2HE      PHE  16  -2.457  -0.496   0.052
   99    HZ   PHE  16           HZ       PHE  16  -0.653   0.773   1.050
  100    H    ASP  17           H        ASP  17   1.458  -6.234  -2.886
  101    HA   ASP  17           HA       ASP  17   1.566  -8.803  -1.606
  102    HB2  ASP  17           2HB      ASP  17   0.257  -8.377  -3.675
  103    HB3  ASP  17           1HB      ASP  17   1.747  -8.051  -4.530
  104    H    ARG  18           H        ARG  18   3.571  -6.874  -3.662
  105    HA   ARG  18           HA       ARG  18   5.751  -8.590  -3.970
  106    HB2  ARG  18           2HB      ARG  18   5.193  -6.421  -5.197
  107    HB3  ARG  18           1HB      ARG  18   5.943  -5.589  -3.844
  108    HG2  ARG  18           2HG      ARG  18   8.031  -6.174  -4.464
  109    HG3  ARG  18           1HG      ARG  18   7.520  -7.731  -5.123
  110    HD2  ARG  18           2HD      ARG  18   7.162  -5.016  -6.383
  111    HD3  ARG  18           1HD      ARG  18   8.230  -6.311  -6.930
  112    HE   ARG  18           HE       ARG  18   5.279  -6.429  -6.992
  113   HH11  ARG  18          1HH1      ARG  18   8.408  -7.342  -8.271
  114   HH12  ARG  18          2HH1      ARG  18   7.741  -8.340  -9.529
  115   HH21  ARG  18          1HH2      ARG  18   4.391  -7.721  -8.622
  116   HH22  ARG  18          2HH2      ARG  18   5.447  -8.567  -9.727
  117    H    TYR  19           H        TYR  19   4.792  -6.610  -1.273
  118    HA   TYR  19           HA       TYR  19   7.375  -7.218   0.030
  119    HB2  TYR  19           2HB      TYR  19   5.365  -5.011   0.542
  120    HB3  TYR  19           1HB      TYR  19   6.626  -5.420   1.697
  121    HD1  TYR  19           1HD      TYR  19   6.773  -5.159  -2.034
  122    HD2  TYR  19           2HD      TYR  19   8.106  -3.595   1.695
  123    HE1  TYR  19           1HE      TYR  19   8.328  -3.671  -3.214
  124    HE2  TYR  19           2HE      TYR  19   9.664  -2.111   0.520
  125    HH   TYR  19           HH       TYR  19   9.468  -1.426  -2.715
  126    H    LYS  20           H        LYS  20   4.514  -8.403  -0.444
  127    HA   LYS  20           HA       LYS  20   2.918  -9.601   0.607
  128    HB2  LYS  20           2HB      LYS  20   4.616 -11.207   0.382
  129    HB3  LYS  20           1HB      LYS  20   5.449 -10.670   1.828
  130    HG2  LYS  20           2HG      LYS  20   3.702 -11.531   3.218
  131    HG3  LYS  20           1HG      LYS  20   2.688 -11.877   1.814
  132    HD2  LYS  20           2HD      LYS  20   5.371 -13.149   2.342
  133    HD3  LYS  20           1HD      LYS  20   3.821 -13.881   2.763
  134    HE2  LYS  20           2HE      LYS  20   4.657 -13.083  -0.024
  135    HE3  LYS  20           1HE      LYS  20   4.744 -14.718   0.627
  136    HZ1  LYS  20           3HZ      LYS  20   2.240 -13.132   0.384
  137    HZ2  LYS  20           1HZ      LYS  20   2.370 -14.750   0.880
  138    HZ3  LYS  20           2HZ      LYS  20   2.739 -14.321  -0.719
  139    H    LEU  21           H        LEU  21   1.880  -7.906   1.612
  140    HA   LEU  21           HA       LEU  21   2.642  -7.297   4.352
  141    HB2  LEU  21           2HB      LEU  21   0.444  -6.354   2.545
  142    HB3  LEU  21           1HB      LEU  21   0.604  -5.838   4.204
  143    HG   LEU  21           HG       LEU  21   1.394  -4.337   2.351
  144   HD11  LEU  21          1HD1      LEU  21   3.230  -3.453   3.716
  145   HD12  LEU  21          2HD1      LEU  21   3.261  -4.966   4.621
  146   HD13  LEU  21          3HD1      LEU  21   1.845  -3.920   4.700
  147   HD21  LEU  21          3HD2      LEU  21   3.764  -4.529   1.729
  148   HD22  LEU  21          1HD2      LEU  21   2.780  -5.833   1.068
  149   HD23  LEU  21          2HD2      LEU  21   3.800  -6.125   2.475
  150    H    ASP  22           H        ASP  22   1.073  -7.332   6.022
  151    HA   ASP  22           HA       ASP  22  -0.945  -9.427   5.703
  152    HB2  ASP  22           2HB      ASP  22   0.134  -7.987   8.102
  153    HB3  ASP  22           1HB      ASP  22  -1.393  -8.856   8.191
  154    H    LYS  23           H        LYS  23  -2.257  -8.561   4.421
  155    HA   LYS  23           HA       LYS  23  -2.958  -5.836   4.330
  156    HB2  LYS  23           2HB      LYS  23  -3.407  -8.010   2.715
  157    HB3  LYS  23           1HB      LYS  23  -5.020  -7.509   3.223
  158    HG2  LYS  23           2HG      LYS  23  -3.073  -6.132   1.479
  159    HG3  LYS  23           1HG      LYS  23  -4.849  -6.007   1.566
  160    HD2  LYS  23           2HD      LYS  23  -4.273  -3.917   2.280
  161    HD3  LYS  23           1HD      LYS  23  -4.250  -4.750   3.834
  162    HE2  LYS  23           2HE      LYS  23  -1.707  -5.095   2.591
  163    HE3  LYS  23           1HE      LYS  23  -2.130  -3.381   2.527
  164    HZ1  LYS  23           3HZ      LYS  23  -0.965  -3.798   4.546
  165    HZ2  LYS  23           1HZ      LYS  23  -1.981  -5.091   4.950
  166    HZ3  LYS  23           2HZ      LYS  23  -2.583  -3.511   4.946
  167    H    PHE  24           H        PHE  24  -4.297  -8.586   6.034
  168    HA   PHE  24           HA       PHE  24  -6.741  -7.220   6.801
  169    HB2  PHE  24           2HB      PHE  24  -5.676  -9.952   7.554
  170    HB3  PHE  24           1HB      PHE  24  -7.276  -9.344   7.950
  171    HD1  PHE  24           1HD      PHE  24  -5.075 -10.387   5.175
  172    HD2  PHE  24           2HD      PHE  24  -9.044  -9.461   6.396
  173    HE1  PHE  24           1HE      PHE  24  -5.937 -11.310   3.064
  174    HE2  PHE  24           2HE      PHE  24  -9.911 -10.378   4.285
  175    HZ   PHE  24           HZ       PHE  24  -8.357 -11.305   2.615
  176    H    SER  25           H        SER  25  -3.857  -6.569   7.811
  177    HA   SER  25           HA       SER  25  -4.365  -6.901  10.682
  178    HB2  SER  25           2HB      SER  25  -2.254  -7.855   9.851
  179    HB3  SER  25           1HB      SER  25  -1.770  -6.276   9.238
  180    HG   SER  25           HG       SER  25  -1.555  -7.297  11.732
  181    H    THR  26           H        THR  26  -2.015  -4.570  10.083
  182    HA   THR  26           HA       THR  26  -3.922  -2.366  10.648
  183    HB   THR  26           HB       THR  26  -1.543  -1.279  11.295
  184    HG1  THR  26           1HG      THR  26  -1.263  -3.922  12.309
  185   HG21  THR  26          3HG2      THR  26  -3.540  -1.349  12.734
  186   HG22  THR  26          1HG2      THR  26  -2.086  -1.754  13.647
  187   HG23  THR  26          2HG2      THR  26  -3.197  -3.027  13.149
  188    H    TRP  27           H        TRP  27  -3.556  -0.491   9.766
  189    HA   TRP  27           HA       TRP  27  -2.687  -0.578   7.056
  190    HB2  TRP  27           2HB      TRP  27  -4.246   1.134   7.485
  191    HB3  TRP  27           1HB      TRP  27  -3.405   1.653   8.944
  192    HD1  TRP  27           HD       TRP  27  -2.458   4.025   8.418
  193    HE1  TRP  27           1HE      TRP  27  -1.243   5.204   6.593
  194    HE3  TRP  27           3HE      TRP  27  -2.638   0.327   5.051
  195    HZ2  TRP  27           2HZ      TRP  27  -0.585   4.730   4.033
  196    HZ3  TRP  27           3HZ      TRP  27  -1.773   0.861   2.810
  197    HH2  TRP  27           HH       TRP  27  -0.910   3.084   2.419
  198    H    SER  28           H        SER  28  -1.342   0.856  10.027
  199    HA   SER  28           HA       SER  28   0.829   1.676   8.436
  200    HB2  SER  28           2HB      SER  28   1.853   2.348  10.460
  201    HB3  SER  28           1HB      SER  28   0.598   3.304   9.777
  202    HG   SER  28           HG       SER  28  -0.268   3.160  11.725
  203    H    LEU  29           H        LEU  29   0.504  -0.993  10.703
  204    HA   LEU  29           HA       LEU  29   3.213  -1.495  11.077
  205    HB2  LEU  29           2HB      LEU  29   1.362  -2.953  11.924
  206    HB3  LEU  29           1HB      LEU  29   1.153  -3.572  10.301
  207    HG   LEU  29           HG       LEU  29   3.448  -4.483  10.364
  208   HD11  LEU  29          1HD1      LEU  29   4.427  -2.909  11.944
  209   HD12  LEU  29          2HD1      LEU  29   4.652  -4.571  12.491
  210   HD13  LEU  29          3HD1      LEU  29   3.416  -3.557  13.234
  211   HD21  LEU  29          3HD2      LEU  29   1.662  -5.346  12.637
  212   HD22  LEU  29          1HD2      LEU  29   2.977  -6.299  11.945
  213   HD23  LEU  29          2HD2      LEU  29   1.565  -5.898  10.965
  214    H    GLN  30           H        GLN  30   1.199  -1.517   8.387
  215    HA   GLN  30           HA       GLN  30   3.149  -2.656   6.551
  216    HB2  GLN  30           2HB      GLN  30   0.568  -1.328   5.759
  217    HB3  GLN  30           1HB      GLN  30   1.511  -2.498   4.853
  218    HG2  GLN  30           2HG      GLN  30  -0.429  -2.917   7.016
  219    HG3  GLN  30           1HG      GLN  30  -0.212  -3.820   5.572
  220   HE21  GLN  30          1HE2      GLN  30  -0.545  -4.665   8.350
  221   HE22  GLN  30          2HE2      GLN  30   0.811  -5.679   8.700
  222    H    SER  31           H        SER  31   1.550   0.438   7.140
  223    HA   SER  31           HA       SER  31   3.095   1.789   5.232
  224    HB2  SER  31           2HB      SER  31   1.922   3.864   6.017
  225    HB3  SER  31           1HB      SER  31   0.990   2.624   5.190
  226    HG   SER  31           HG       SER  31  -0.102   3.254   7.022
  227    H    LYS  32           H        LYS  32   3.261   2.019   8.745
  228    HA   LYS  32           HA       LYS  32   5.303   4.000   8.572
  229    HB2  LYS  32           2HB      LYS  32   5.853   3.473  10.894
  230    HB3  LYS  32           1HB      LYS  32   4.122   3.660  10.691
  231    HG2  LYS  32           2HG      LYS  32   4.276   1.856  12.102
  232    HG3  LYS  32           1HG      LYS  32   4.095   1.088  10.529
  233    HD2  LYS  32           2HD      LYS  32   5.798  -0.050  11.815
  234    HD3  LYS  32           1HD      LYS  32   6.533   0.759  10.432
  235    HE2  LYS  32           2HE      LYS  32   6.422   2.154  13.071
  236    HE3  LYS  32           1HE      LYS  32   7.633   0.903  12.804
  237    HZ1  LYS  32           3HZ      LYS  32   7.302   3.455  11.327
  238    HZ2  LYS  32           1HZ      LYS  32   8.266   2.181  10.752
  239    HZ3  LYS  32           2HZ      LYS  32   8.640   2.929  12.222
  240    H    LYS  33           H        LYS  33   5.036   0.942   7.573
  241    HA   LYS  33           HA       LYS  33   7.882   0.229   7.902
  242    HB2  LYS  33           2HB      LYS  33   6.695  -1.675   8.411
  243    HB3  LYS  33           1HB      LYS  33   5.408  -1.310   7.274
  244    HG2  LYS  33           2HG      LYS  33   6.793  -1.992   5.422
  245    HG3  LYS  33           1HG      LYS  33   8.166  -2.236   6.504
  246    HD2  LYS  33           2HD      LYS  33   5.585  -3.709   6.908
  247    HD3  LYS  33           1HD      LYS  33   6.812  -4.295   5.781
  248    HE2  LYS  33           2HE      LYS  33   7.251  -3.723   8.710
  249    HE3  LYS  33           1HE      LYS  33   7.025  -5.325   8.003
  250    HZ1  LYS  33           3HZ      LYS  33   9.026  -4.926   6.652
  251    HZ2  LYS  33           1HZ      LYS  33   9.361  -4.897   8.315
  252    HZ3  LYS  33           2HZ      LYS  33   9.262  -3.448   7.440
  253    H    ILE  34           H        ILE  34   5.437   0.304   5.279
  254    HA   ILE  34           HA       ILE  34   7.441   0.314   3.237
  255    HB   ILE  34           HB       ILE  34   5.713   0.576   1.634
  256   HG12  ILE  34          2HG1      ILE  34   3.545   1.066   3.693
  257   HG13  ILE  34          1HG1      ILE  34   4.488   2.392   3.056
  258   HG21  ILE  34          1HG2      ILE  34   5.842  -1.619   2.609
  259   HG22  ILE  34          2HG2      ILE  34   4.167  -1.241   2.203
  260   HG23  ILE  34          3HG2      ILE  34   4.709  -1.155   3.879
  261   HD11  ILE  34          3HD1      ILE  34   2.399   2.054   1.844
  262   HD12  ILE  34          1HD1      ILE  34   2.897   0.410   1.440
  263   HD13  ILE  34          2HD1      ILE  34   3.794   1.789   0.796
  264    H    GLU  35           H        GLU  35   6.566   2.496   5.391
  265    HA   GLU  35           HA       GLU  35   6.142   4.957   4.442
  266    HB2  GLU  35           2HB      GLU  35   6.618   4.199   6.807
  267    HB3  GLU  35           1HB      GLU  35   8.324   4.387   6.429
  268    HG2  GLU  35           2HG      GLU  35   7.518   6.777   5.675
  269    HG3  GLU  35           1HG      GLU  35   6.235   6.413   6.797
  270    H    ASN  36           H        ASN  36   9.464   4.380   5.321
  271    HA   ASN  36           HA       ASN  36  10.470   6.220   3.423
  272    HB2  ASN  36           2HB      ASN  36  11.607   4.519   5.518
  273    HB3  ASN  36           1HB      ASN  36  12.690   4.801   4.159
  274   HD21  ASN  36          1HD2      ASN  36  10.240   7.056   5.264
  275   HD22  ASN  36          2HD2      ASN  36  11.343   8.261   5.827
  276    H    ASP  37           H        ASP  37   9.215   3.360   2.639
  277    HA   ASP  37           HA       ASP  37  11.204   2.602   0.661
  278    HB2  ASP  37           2HB      ASP  37   8.361   1.638   1.102
  279    HB3  ASP  37           1HB      ASP  37   9.435   1.001  -0.139
  280    HA   PRO  38           HA       PRO  38   9.986   5.764  -2.204
  281    HB2  PRO  38           2HB      PRO  38  10.830   3.737  -4.217
  282    HB3  PRO  38           1HB      PRO  38  11.328   5.425  -4.042
  283    HG2  PRO  38           2HG      PRO  38  12.959   3.461  -3.306
  284    HG3  PRO  38           1HG      PRO  38  12.828   4.940  -2.334
  285    HD2  PRO  38           2HD      PRO  38  11.661   2.231  -1.834
  286    HD3  PRO  38           1HD      PRO  38  12.348   3.393  -0.681
  287    H    ASP  39           H        ASP  39   8.718   2.582  -2.155
  288    HA   ASP  39           HA       ASP  39   6.893   2.877  -4.330
  289    HB2  ASP  39           2HB      ASP  39   7.145   0.853  -2.117
  290    HB3  ASP  39           1HB      ASP  39   5.854   0.788  -3.315
  291    H    PHE  40           H        PHE  40   6.751   3.489  -0.878
  292    HA   PHE  40           HA       PHE  40   4.010   4.013  -0.544
  293    HB2  PHE  40           2HB      PHE  40   6.214   4.194   0.987
  294    HB3  PHE  40           1HB      PHE  40   6.025   5.885   0.590
  295    HD1  PHE  40           2HD      PHE  40   2.918   3.851   1.156
  296    HD2  PHE  40           1HD      PHE  40   5.912   6.379   2.877
  297    HE1  PHE  40           2HE      PHE  40   1.589   4.087   3.168
  298    HE2  PHE  40           1HE      PHE  40   4.546   6.591   4.890
  299    HZ   PHE  40           HZ       PHE  40   2.426   5.409   5.030
  300    H    TYR  41           H        TYR  41   6.612   5.812  -2.020
  301    HA   TYR  41           HA       TYR  41   5.058   8.221  -2.362
  302    HB2  TYR  41           2HB      TYR  41   7.892   7.452  -3.003
  303    HB3  TYR  41           1HB      TYR  41   7.195   8.957  -3.594
  304    HD1  TYR  41           2HD      TYR  41   8.032   7.066  -0.512
  305    HD2  TYR  41           1HD      TYR  41   6.988  10.834  -2.188
  306    HE1  TYR  41           2HE      TYR  41   8.547   8.159   1.632
  307    HE2  TYR  41           1HE      TYR  41   7.497  11.935  -0.053
  308    HH   TYR  41           HH       TYR  41   9.110  10.326   2.524
  309    H    LYS  42           H        LYS  42   4.892   5.400  -3.942
  310    HA   LYS  42           HA       LYS  42   4.927   6.140  -6.661
  311    HB2  LYS  42           2HB      LYS  42   3.311   4.094  -5.146
  312    HB3  LYS  42           1HB      LYS  42   3.094   4.338  -6.870
  313    HG2  LYS  42           2HG      LYS  42   5.706   3.593  -5.568
  314    HG3  LYS  42           1HG      LYS  42   4.584   2.448  -6.305
  315    HD2  LYS  42           2HD      LYS  42   4.803   3.736  -8.440
  316    HD3  LYS  42           1HD      LYS  42   6.073   4.688  -7.668
  317    HE2  LYS  42           2HE      LYS  42   6.110   1.701  -8.079
  318    HE3  LYS  42           1HE      LYS  42   6.989   2.879  -9.049
  319    HZ1  LYS  42           3HZ      LYS  42   8.552   2.108  -7.539
  320    HZ2  LYS  42           1HZ      LYS  42   7.457   2.073  -6.246
  321    HZ3  LYS  42           2HZ      LYS  42   8.032   3.560  -6.832
  322    H    ILE  43           H        ILE  43   2.509   6.449  -4.136
  323    HA   ILE  43           HA       ILE  43   0.881   8.125  -5.919
  324    HB   ILE  43           HB       ILE  43   0.096   6.841  -3.293
  325   HG12  ILE  43          2HG1      ILE  43   0.295   5.148  -4.987
  326   HG13  ILE  43          1HG1      ILE  43  -1.419   5.475  -4.744
  327   HG21  ILE  43          1HG2      ILE  43  -1.076   8.947  -3.668
  328   HG22  ILE  43          2HG2      ILE  43  -2.174   7.576  -3.825
  329   HG23  ILE  43          3HG2      ILE  43  -1.574   8.394  -5.268
  330   HD11  ILE  43          3HD1      ILE  43  -0.921   5.216  -7.089
  331   HD12  ILE  43          1HD1      ILE  43   0.284   6.500  -7.000
  332   HD13  ILE  43          2HD1      ILE  43  -1.421   6.874  -6.751
  333    H    ARG  44           H        ARG  44   0.600  10.225  -5.480
  334    HA   ARG  44           HA       ARG  44   2.454  11.534  -3.785
  335    HB2  ARG  44           2HB      ARG  44   1.594  12.515  -5.861
  336    HB3  ARG  44           1HB      ARG  44  -0.016  12.600  -5.162
  337    HG2  ARG  44           2HG      ARG  44   0.815  14.172  -3.471
  338    HG3  ARG  44           1HG      ARG  44   2.413  14.112  -4.222
  339    HD2  ARG  44           2HD      ARG  44  -0.145  15.076  -5.501
  340    HD3  ARG  44           1HD      ARG  44   1.212  16.075  -4.982
  341    HE   ARG  44           HE       ARG  44   2.504  14.644  -6.692
  342   HH11  ARG  44          1HH1      ARG  44  -0.818  15.739  -7.044
  343   HH12  ARG  44          2HH1      ARG  44  -0.770  15.668  -8.781
  344   HH21  ARG  44          1HH2      ARG  44   2.562  14.539  -8.936
  345   HH22  ARG  44          2HH2      ARG  44   1.162  14.984  -9.874
  346    H    ASP  45           H        ASP  45  -0.886  10.593  -3.388
  347    HA   ASP  45           HA       ASP  45  -1.078  12.150  -0.909
  348    HB2  ASP  45           2HB      ASP  45  -2.849  12.410  -2.653
  349    HB3  ASP  45           1HB      ASP  45  -3.277  10.718  -2.407
  350    H    ASP  46           H        ASP  46  -1.329  11.226   1.047
  351    HA   ASP  46           HA       ASP  46  -0.661   8.407   1.228
  352    HB2  ASP  46           2HB      ASP  46   0.453  10.137   2.647
  353    HB3  ASP  46           1HB      ASP  46  -1.082  10.399   3.467
  354    H    THR  47           H        THR  47  -3.467  10.434   1.726
  355    HA   THR  47           HA       THR  47  -4.903   8.438   3.211
  356    HB   THR  47           HB       THR  47  -6.882  10.062   2.359
  357    HG1  THR  47           1HG      THR  47  -5.172  11.296   1.174
  358   HG21  THR  47          3HG2      THR  47  -4.942  10.647   4.598
  359   HG22  THR  47          1HG2      THR  47  -6.325   9.551   4.680
  360   HG23  THR  47          2HG2      THR  47  -6.584  11.282   4.465
  361    H    VAL  48           H        VAL  48  -3.991   8.591   0.070
  362    HA   VAL  48           HA       VAL  48  -6.239   6.953  -0.845
  363    HB   VAL  48           HB       VAL  48  -3.774   7.889  -2.340
  364   HG11  VAL  48          1HG1      VAL  48  -4.932   7.106  -4.356
  365   HG12  VAL  48          2HG1      VAL  48  -6.228   6.456  -3.352
  366   HG13  VAL  48          3HG1      VAL  48  -4.602   5.784  -3.237
  367   HG21  VAL  48          3HG2      VAL  48  -6.632   8.844  -2.477
  368   HG22  VAL  48          1HG2      VAL  48  -5.321   9.382  -3.526
  369   HG23  VAL  48          2HG2      VAL  48  -5.266   9.731  -1.798
  370    H    ARG  49           H        ARG  49  -2.926   6.831   0.163
  371    HA   ARG  49           HA       ARG  49  -2.110   4.305  -0.771
  372    HB2  ARG  49           2HB      ARG  49  -1.335   5.832   1.725
  373    HB3  ARG  49           1HB      ARG  49  -0.467   4.442   1.136
  374    HG2  ARG  49           2HG      ARG  49   0.070   5.637  -0.913
  375    HG3  ARG  49           1HG      ARG  49  -0.844   7.016  -0.318
  376    HD2  ARG  49           2HD      ARG  49   0.696   7.114   1.635
  377    HD3  ARG  49           1HD      ARG  49   1.661   5.857   0.867
  378    HE   ARG  49           HE       ARG  49   1.659   7.626  -1.064
  379   HH11  ARG  49          1HH1      ARG  49   1.982   8.203   2.378
  380   HH12  ARG  49          2HH1      ARG  49   3.007   9.600   2.169
  381   HH21  ARG  49          1HH2      ARG  49   2.950   9.455  -1.348
  382   HH22  ARG  49          2HH2      ARG  49   3.537  10.335   0.034
  383    H    GLU  50           H        GLU  50  -3.629   5.172   2.359
  384    HA   GLU  50           HA       GLU  50  -3.578   2.371   2.968
  385    HB2  GLU  50           2HB      GLU  50  -5.146   3.442   4.847
  386    HB3  GLU  50           1HB      GLU  50  -3.529   3.049   5.014
  387    HG2  GLU  50           2HG      GLU  50  -4.010   5.077   5.879
  388    HG3  GLU  50           1HG      GLU  50  -2.871   5.261   4.675
  389    H    SER  51           H        SER  51  -5.896   4.592   1.725
  390    HA   SER  51           HA       SER  51  -8.116   2.888   1.800
  391    HB2  SER  51           2HB      SER  51  -7.251   4.753  -0.425
  392    HB3  SER  51           1HB      SER  51  -8.853   4.032  -0.278
  393    HG   SER  51           HG       SER  51  -7.799   5.466   1.893
  394    H    LEU  52           H        LEU  52  -5.081   2.295   0.447
  395    HA   LEU  52           HA       LEU  52  -5.893   0.938  -1.849
  396    HB2  LEU  52           2HB      LEU  52  -3.408   1.661  -0.615
  397    HB3  LEU  52           1HB      LEU  52  -3.298   0.231  -1.499
  398    HG   LEU  52           HG       LEU  52  -3.375   1.309  -3.529
  399   HD11  LEU  52          1HD1      LEU  52  -5.739   1.860  -3.288
  400   HD12  LEU  52          2HD1      LEU  52  -4.853   3.203  -4.014
  401   HD13  LEU  52          3HD1      LEU  52  -5.321   3.269  -2.314
  402   HD21  LEU  52          3HD2      LEU  52  -2.523   3.585  -3.487
  403   HD22  LEU  52          1HD2      LEU  52  -1.682   2.584  -2.305
  404   HD23  LEU  52          2HD2      LEU  52  -2.925   3.719  -1.775
  405    H    PHE  53           H        PHE  53  -4.389   0.241   0.723
  406    HA   PHE  53           HA       PHE  53  -3.909  -2.326   0.938
  407    HB2  PHE  53           2HB      PHE  53  -3.153  -0.727   2.299
  408    HB3  PHE  53           1HB      PHE  53  -4.654   0.225   1.982
  409    HD1  PHE  53           1HD      PHE  53  -6.478  -0.035   3.582
  410    HD2  PHE  53           2HD      PHE  53  -2.880  -2.150   4.125
  411    HE1  PHE  53           1HE      PHE  53  -7.156  -0.536   5.914
  412    HE2  PHE  53           2HE      PHE  53  -3.514  -2.686   6.459
  413    HZ   PHE  53           HZ       PHE  53  -5.665  -1.872   7.353
  414    H    GLU  54           H        GLU  54  -6.903  -0.567   1.780
  415    HA   GLU  54           HA       GLU  54  -8.344  -2.705   2.909
  416    HB2  GLU  54           2HB      GLU  54  -9.864  -0.617   1.435
  417    HB3  GLU  54           1HB      GLU  54 -10.120  -1.260   3.050
  418    HG2  GLU  54           2HG      GLU  54  -8.192   0.026   3.846
  419    HG3  GLU  54           1HG      GLU  54  -8.003   0.692   2.221
  420    H    GLU  55           H        GLU  55  -8.408  -1.312  -0.338
  421    HA   GLU  55           HA       GLU  55 -10.383  -3.057  -1.346
  422    HB2  GLU  55           2HB      GLU  55  -8.269  -1.589  -2.923
  423    HB3  GLU  55           1HB      GLU  55  -9.793  -2.219  -3.537
  424    HG2  GLU  55           2HG      GLU  55 -10.903  -0.678  -1.826
  425    HG3  GLU  55           1HG      GLU  55  -9.324   0.097  -1.706
  426    H    TRP  56           H        TRP  56  -6.834  -3.125  -1.627
  427    HA   TRP  56           HA       TRP  56  -6.623  -5.469  -3.121
  428    HB2  TRP  56           2HB      TRP  56  -4.786  -4.008  -2.906
  429    HB3  TRP  56           1HB      TRP  56  -4.779  -4.249  -1.189
  430    HD1  TRP  56           HD       TRP  56  -4.112  -6.698  -4.032
  431    HE1  TRP  56           1HE      TRP  56  -2.315  -8.346  -3.222
  432    HE3  TRP  56           3HE      TRP  56  -3.460  -4.316  -0.427
  433    HZ2  TRP  56           2HZ      TRP  56  -0.547  -8.197  -0.878
  434    HZ3  TRP  56           3HZ      TRP  56  -1.741  -4.657   0.631
  435    HH2  TRP  56           HH       TRP  56  -0.258  -6.561   0.850
  436    H    CYS  57           H        CYS  57  -7.155  -4.911   0.182
  437    HA   CYS  57           HA       CYS  57  -6.306  -7.384   1.307
  438    HB2  CYS  57           2HB      CYS  57  -6.458  -5.350   2.662
  439    HB3  CYS  57           1HB      CYS  57  -8.196  -5.282   2.400
  440    HG   CYS  57           HG       CYS  57  -8.910  -7.027   4.204
  441    H    GLY  58           H        GLY  58  -9.515  -5.979   0.651
  442    HA2  GLY  58           2HA      GLY  58 -10.753  -8.627   0.919
  443    HA3  GLY  58           1HA      GLY  58 -11.605  -7.089   0.783
  444    H    GLU  59           H        GLU  59  -8.968  -8.232  -1.145
  445    HA   GLU  59           HA       GLU  59 -10.498  -7.667  -3.558
  446    HB2  GLU  59           2HB      GLU  59  -8.064  -6.797  -2.754
  447    HB3  GLU  59           1HB      GLU  59  -7.584  -8.286  -3.593
  448    HG2  GLU  59           2HG      GLU  59  -9.246  -6.124  -4.863
  449    HG3  GLU  59           1HG      GLU  59  -7.493  -6.236  -4.994
  Start of MODEL    3
    1    H1   ASP   5           H        ASP   5  -7.235   7.399  -8.584
    2    HA   ASP   5           HA       ASP   5 -10.035   7.371  -7.815
    3    HB2  ASP   5           2HB      ASP   5  -9.407   9.459  -9.380
    4    HB3  ASP   5           1HB      ASP   5  -9.587   8.235 -10.631
    5    H    ILE   6           H        ILE   6  -9.006   5.288  -7.557
    6    HA   ILE   6           HA       ILE   6  -8.334   3.218  -8.129
    7    HB   ILE   6           HB       ILE   6  -9.949   1.931  -9.422
    8   HG12  ILE   6          2HG1      ILE   6 -11.466   4.545  -9.654
    9   HG13  ILE   6          1HG1      ILE   6 -10.729   3.673 -10.992
   10   HG21  ILE   6          1HG2      ILE   6 -10.183   2.189  -7.030
   11   HG22  ILE   6          2HG2      ILE   6 -11.778   2.179  -7.781
   12   HG23  ILE   6          3HG2      ILE   6 -11.063   3.701  -7.251
   13   HD11  ILE   6          3HD1      ILE   6 -13.138   3.323 -10.898
   14   HD12  ILE   6          1HD1      ILE   6 -12.980   2.664  -9.269
   15   HD13  ILE   6          2HD1      ILE   6 -12.261   1.817 -10.637
   16    H    ASP   7           H        ASP   7  -6.472   3.356  -9.063
   17    HA   ASP   7           HA       ASP   7  -6.107   2.260 -11.472
   18    HB2  ASP   7           2HB      ASP   7  -6.779   4.355 -12.505
   19    HB3  ASP   7           1HB      ASP   7  -5.442   5.108 -11.640
   20    H    GLU   8           H        GLU   8  -5.030   4.232  -9.689
   21    HA   GLU   8           HA       GLU   8  -2.194   3.575  -9.610
   22    HB2  GLU   8           2HB      GLU   8  -1.904   5.380  -8.040
   23    HB3  GLU   8           1HB      GLU   8  -2.953   5.930  -9.335
   24    HG2  GLU   8           2HG      GLU   8  -3.831   5.076  -6.582
   25    HG3  GLU   8           1HG      GLU   8  -3.728   6.731  -7.179
   26    H    ARG   9           H        ARG   9  -5.024   2.936  -7.769
   27    HA   ARG   9           HA       ARG   9  -4.000   2.173  -5.321
   28    HB2  ARG   9           2HB      ARG   9  -6.089   1.010  -4.998
   29    HB3  ARG   9           1HB      ARG   9  -6.380   2.480  -5.899
   30    HG2  ARG   9           2HG      ARG   9  -6.583   1.216  -7.964
   31    HG3  ARG   9           1HG      ARG   9  -6.254  -0.275  -7.086
   32    HD2  ARG   9           2HD      ARG   9  -8.255   0.188  -5.687
   33    HD3  ARG   9           1HD      ARG   9  -8.618   1.563  -6.722
   34    HE   ARG   9           HE       ARG   9  -8.573  -0.350  -8.523
   35   HH11  ARG   9          1HH1      ARG   9  -9.968  -0.390  -5.309
   36   HH12  ARG   9          2HH1      ARG   9 -11.132  -1.616  -5.690
   37   HH21  ARG   9          1HH2      ARG   9 -10.124  -1.970  -9.024
   38   HH22  ARG   9          2HH2      ARG   9 -11.215  -2.517  -7.778
   39    H    ASN  10           H        ASN  10  -4.553   0.144  -8.161
   40    HA   ASN  10           HA       ASN  10  -3.816  -2.303  -6.917
   41    HB2  ASN  10           2HB      ASN  10  -4.009  -1.488  -9.827
   42    HB3  ASN  10           1HB      ASN  10  -3.585  -3.125  -9.325
   43   HD21  ASN  10          1HD2      ASN  10  -6.095  -0.766  -9.575
   44   HD22  ASN  10          2HD2      ASN  10  -7.403  -1.797  -9.098
   45    H    ILE  11           H        ILE  11  -1.891   0.278  -7.921
   46    HA   ILE  11           HA       ILE  11   0.490  -1.195  -8.395
   47    HB   ILE  11           HB       ILE  11  -0.049   1.675  -7.676
   48   HG12  ILE  11          2HG1      ILE  11   1.136   2.054  -9.844
   49   HG13  ILE  11          1HG1      ILE  11   1.254   0.310 -10.042
   50   HG21  ILE  11          1HG2      ILE  11   1.945   1.115  -6.423
   51   HG22  ILE  11          2HG2      ILE  11   2.364   2.135  -7.799
   52   HG23  ILE  11          3HG2      ILE  11   2.675   0.400  -7.862
   53   HD11  ILE  11          3HD1      ILE  11  -0.555   1.213 -11.360
   54   HD12  ILE  11          1HD1      ILE  11  -1.285   1.916  -9.915
   55   HD13  ILE  11          2HD1      ILE  11  -1.185   0.164 -10.089
   56    H    PHE  12           H        PHE  12  -1.002   0.247  -5.477
   57    HA   PHE  12           HA       PHE  12   1.315  -0.267  -3.882
   58    HB2  PHE  12           2HB      PHE  12  -1.399   0.811  -3.417
   59    HB3  PHE  12           1HB      PHE  12  -0.582   0.113  -2.016
   60    HD1  PHE  12           1HD      PHE  12   0.557   2.214  -4.941
   61    HD2  PHE  12           2HD      PHE  12   0.309   1.809  -0.682
   62    HE1  PHE  12           1HE      PHE  12   1.791   4.311  -4.650
   63    HE2  PHE  12           2HE      PHE  12   1.554   3.902  -0.419
   64    HZ   PHE  12           HZ       PHE  12   2.291   5.156  -2.399
   65    H    PHE  13           H        PHE  13  -1.936  -1.832  -3.760
   66    HA   PHE  13           HA       PHE  13  -1.884  -4.367  -2.397
   67    HB2  PHE  13           2HB      PHE  13  -2.080  -4.143  -5.090
   68    HB3  PHE  13           1HB      PHE  13  -3.018  -5.008  -4.143
   69    HD1  PHE  13           2HD      PHE  13  -3.134  -1.771  -2.871
   70    HD2  PHE  13           1HD      PHE  13  -4.561  -4.170  -6.085
   71    HE1  PHE  13           2HE      PHE  13  -5.115  -0.338  -3.078
   72    HE2  PHE  13           1HE      PHE  13  -6.552  -2.755  -6.266
   73    HZ   PHE  13           HZ       PHE  13  -6.826  -0.851  -4.756
   74    H    GLU  14           H        GLU  14  -0.337  -3.553  -5.597
   75    HA   GLU  14           HA       GLU  14   0.747  -6.167  -5.938
   76    HB2  GLU  14           2HB      GLU  14   0.284  -4.097  -7.619
   77    HB3  GLU  14           1HB      GLU  14   1.996  -3.838  -7.334
   78    HG2  GLU  14           2HG      GLU  14   0.826  -6.430  -8.308
   79    HG3  GLU  14           1HG      GLU  14   1.455  -5.168  -9.362
   80    H    LEU  15           H        LEU  15   2.156  -3.023  -5.077
   81    HA   LEU  15           HA       LEU  15   4.683  -3.947  -4.241
   82    HB2  LEU  15           2HB      LEU  15   3.246  -1.745  -2.796
   83    HB3  LEU  15           1HB      LEU  15   4.944  -1.870  -3.181
   84    HG   LEU  15           HG       LEU  15   2.745  -1.288  -5.129
   85   HD11  LEU  15          1HD1      LEU  15   3.095   0.564  -3.628
   86   HD12  LEU  15          2HD1      LEU  15   3.715   0.956  -5.232
   87   HD13  LEU  15          3HD1      LEU  15   4.831   0.517  -3.939
   88   HD21  LEU  15          3HD2      LEU  15   4.574  -0.782  -6.705
   89   HD22  LEU  15          1HD2      LEU  15   4.569  -2.475  -6.208
   90   HD23  LEU  15          2HD2      LEU  15   5.739  -1.355  -5.511
   91    H    PHE  16           H        PHE  16   1.448  -4.063  -2.840
   92    HA   PHE  16           HA       PHE  16   2.319  -4.197  -0.167
   93    HB2  PHE  16           2HB      PHE  16  -0.069  -4.297  -1.811
   94    HB3  PHE  16           1HB      PHE  16  -0.218  -4.814  -0.178
   95    HD1  PHE  16           1HD      PHE  16   2.016  -2.225   0.025
   96    HD2  PHE  16           2HD      PHE  16  -2.165  -2.918  -0.851
   97    HE1  PHE  16           1HE      PHE  16   1.457   0.066   0.718
   98    HE2  PHE  16           2HE      PHE  16  -2.644  -0.640  -0.145
   99    HZ   PHE  16           HZ       PHE  16  -0.878   0.834   0.633
  100    H    ASP  17           H        ASP  17   1.403  -6.371  -2.689
  101    HA   ASP  17           HA       ASP  17   1.644  -8.731  -1.078
  102    HB2  ASP  17           2HB      ASP  17   0.236  -8.448  -3.238
  103    HB3  ASP  17           1HB      ASP  17   1.764  -8.674  -4.079
  104    H    ARG  18           H        ARG  18   3.577  -7.063  -3.486
  105    HA   ARG  18           HA       ARG  18   5.674  -8.867  -3.746
  106    HB2  ARG  18           2HB      ARG  18   5.346  -6.887  -5.185
  107    HB3  ARG  18           1HB      ARG  18   5.817  -5.846  -3.850
  108    HG2  ARG  18           2HG      ARG  18   7.689  -6.050  -5.294
  109    HG3  ARG  18           1HG      ARG  18   8.038  -6.988  -3.843
  110    HD2  ARG  18           2HD      ARG  18   7.021  -8.112  -6.443
  111    HD3  ARG  18           1HD      ARG  18   8.699  -8.150  -5.915
  112    HE   ARG  18           HE       ARG  18   7.851  -9.520  -3.991
  113   HH11  ARG  18          1HH1      ARG  18   6.155  -9.433  -7.050
  114   HH12  ARG  18          2HH1      ARG  18   5.375 -10.962  -6.809
  115   HH21  ARG  18          1HH2      ARG  18   6.799 -11.529  -3.649
  116   HH22  ARG  18          2HH2      ARG  18   5.729 -12.149  -4.875
  117    H    TYR  19           H        TYR  19   4.945  -6.643  -1.203
  118    HA   TYR  19           HA       TYR  19   7.540  -7.218   0.064
  119    HB2  TYR  19           2HB      TYR  19   5.619  -4.913   0.384
  120    HB3  TYR  19           1HB      TYR  19   6.914  -5.223   1.534
  121    HD1  TYR  19           1HD      TYR  19   6.592  -5.075  -2.213
  122    HD2  TYR  19           2HD      TYR  19   8.762  -3.873   1.253
  123    HE1  TYR  19           1HE      TYR  19   8.149  -3.803  -3.624
  124    HE2  TYR  19           2HE      TYR  19  10.320  -2.614  -0.154
  125    HH   TYR  19           HH       TYR  19   9.720  -1.681  -3.168
  126    H    LYS  20           H        LYS  20   4.511  -8.300  -0.010
  127    HA   LYS  20           HA       LYS  20   3.099  -9.424   1.330
  128    HB2  LYS  20           2HB      LYS  20   4.660 -11.078   1.560
  129    HB3  LYS  20           1HB      LYS  20   5.790 -10.074   2.447
  130    HG2  LYS  20           2HG      LYS  20   4.906 -11.790   3.887
  131    HG3  LYS  20           1HG      LYS  20   4.320 -10.217   4.421
  132    HD2  LYS  20           2HD      LYS  20   2.211 -10.698   3.117
  133    HD3  LYS  20           1HD      LYS  20   2.809 -12.349   2.923
  134    HE2  LYS  20           2HE      LYS  20   2.923 -12.590   5.358
  135    HE3  LYS  20           1HE      LYS  20   2.327 -10.943   5.550
  136    HZ1  LYS  20           3HZ      LYS  20   0.888 -13.347   4.654
  137    HZ2  LYS  20           1HZ      LYS  20   0.361 -11.816   4.140
  138    HZ3  LYS  20           2HZ      LYS  20   0.427 -12.177   5.793
  139    H    LEU  21           H        LEU  21   1.878  -7.639   2.008
  140    HA   LEU  21           HA       LEU  21   2.424  -6.825   4.786
  141    HB2  LEU  21           2HB      LEU  21   0.397  -5.943   2.733
  142    HB3  LEU  21           1HB      LEU  21   0.577  -5.216   4.312
  143    HG   LEU  21           HG       LEU  21   2.363  -5.098   1.949
  144   HD11  LEU  21          1HD1      LEU  21   1.204  -2.989   3.724
  145   HD12  LEU  21          2HD1      LEU  21   0.657  -3.415   2.103
  146   HD13  LEU  21          3HD1      LEU  21   2.251  -2.695   2.335
  147   HD21  LEU  21          3HD2      LEU  21   3.842  -5.674   3.763
  148   HD22  LEU  21          1HD2      LEU  21   3.156  -4.389   4.756
  149   HD23  LEU  21          2HD2      LEU  21   4.077  -3.989   3.307
  150    H    ASP  22           H        ASP  22   0.158  -6.544   5.878
  151    HA   ASP  22           HA       ASP  22  -1.651  -8.777   5.273
  152    HB2  ASP  22           2HB      ASP  22  -0.714  -7.808   7.966
  153    HB3  ASP  22           1HB      ASP  22  -2.202  -8.740   7.783
  154    H    LYS  23           H        LYS  23  -3.144  -7.823   4.286
  155    HA   LYS  23           HA       LYS  23  -3.450  -4.992   4.239
  156    HB2  LYS  23           2HB      LYS  23  -5.215  -7.086   2.994
  157    HB3  LYS  23           1HB      LYS  23  -5.013  -5.396   2.502
  158    HG2  LYS  23           2HG      LYS  23  -3.262  -6.034   1.204
  159    HG3  LYS  23           1HG      LYS  23  -2.490  -6.407   2.718
  160    HD2  LYS  23           2HD      LYS  23  -4.155  -8.584   2.254
  161    HD3  LYS  23           1HD      LYS  23  -3.296  -8.237   0.739
  162    HE2  LYS  23           2HE      LYS  23  -2.238  -9.075   3.354
  163    HE3  LYS  23           1HE      LYS  23  -1.632  -9.397   1.735
  164    HZ1  LYS  23           3HZ      LYS  23  -0.062  -7.980   2.654
  165    HZ2  LYS  23           1HZ      LYS  23  -1.195  -6.918   3.422
  166    HZ3  LYS  23           2HZ      LYS  23  -1.003  -6.953   1.706
  167    H    PHE  24           H        PHE  24  -4.678  -7.199   6.446
  168    HA   PHE  24           HA       PHE  24  -7.119  -5.649   6.964
  169    HB2  PHE  24           2HB      PHE  24  -8.291  -7.792   7.493
  170    HB3  PHE  24           1HB      PHE  24  -7.856  -7.619   5.796
  171    HD1  PHE  24           1HD      PHE  24  -6.039  -8.960   4.839
  172    HD2  PHE  24           2HD      PHE  24  -7.322  -9.498   8.859
  173    HE1  PHE  24           1HE      PHE  24  -4.882 -11.128   4.913
  174    HE2  PHE  24           2HE      PHE  24  -6.165 -11.667   8.944
  175    HZ   PHE  24           HZ       PHE  24  -4.940 -12.484   6.968
  176    H    SER  25           H        SER  25  -4.267  -6.341   8.239
  177    HA   SER  25           HA       SER  25  -5.241  -7.058  10.909
  178    HB2  SER  25           2HB      SER  25  -3.319  -8.335  10.089
  179    HB3  SER  25           1HB      SER  25  -2.412  -6.845   9.830
  180    HG   SER  25           HG       SER  25  -3.336  -7.873  12.317
  181    H    THR  26           H        THR  26  -2.609  -4.934   9.882
  182    HA   THR  26           HA       THR  26  -3.989  -2.567  11.064
  183    HB   THR  26           HB       THR  26  -1.433  -1.808  11.154
  184    HG1  THR  26           1HG      THR  26  -0.706  -3.858  10.377
  185   HG21  THR  26          3HG2      THR  26  -2.719  -3.535  13.291
  186   HG22  THR  26          1HG2      THR  26  -2.969  -1.805  13.076
  187   HG23  THR  26          2HG2      THR  26  -1.380  -2.415  13.537
  188    H    TRP  27           H        TRP  27  -3.488  -0.738  10.073
  189    HA   TRP  27           HA       TRP  27  -3.013  -1.036   7.235
  190    HB2  TRP  27           2HB      TRP  27  -4.257   0.873   7.637
  191    HB3  TRP  27           1HB      TRP  27  -3.376   1.265   9.108
  192    HD1  TRP  27           HD       TRP  27  -2.225   3.536   8.668
  193    HE1  TRP  27           1HE      TRP  27  -0.995   4.732   6.890
  194    HE3  TRP  27           3HE      TRP  27  -2.691   0.010   5.132
  195    HZ2  TRP  27           2HZ      TRP  27  -0.410   4.354   4.301
  196    HZ3  TRP  27           3HZ      TRP  27  -1.838   0.626   2.904
  197    HH2  TRP  27           HH       TRP  27  -0.858   2.824   2.618
  198    H    SER  28           H        SER  28  -1.211   0.406   9.938
  199    HA   SER  28           HA       SER  28   0.904   0.615   8.123
  200    HB2  SER  28           2HB      SER  28   2.202   1.445   9.972
  201    HB3  SER  28           1HB      SER  28   1.151   2.439   9.063
  202    HG   SER  28           HG       SER  28   0.496   1.221  11.574
  203    H    LEU  29           H        LEU  29   0.459  -1.805  10.588
  204    HA   LEU  29           HA       LEU  29   3.185  -2.315  10.951
  205    HB2  LEU  29           2HB      LEU  29   1.219  -3.691  11.899
  206    HB3  LEU  29           1HB      LEU  29   1.196  -4.520  10.359
  207    HG   LEU  29           HG       LEU  29   3.509  -5.288  10.732
  208   HD11  LEU  29          1HD1      LEU  29   4.532  -5.043  12.930
  209   HD12  LEU  29          2HD1      LEU  29   3.187  -4.028  13.450
  210   HD13  LEU  29          3HD1      LEU  29   4.271  -3.472  12.174
  211   HD21  LEU  29          3HD2      LEU  29   2.983  -6.922  12.471
  212   HD22  LEU  29          1HD2      LEU  29   1.629  -6.706  11.362
  213   HD23  LEU  29          2HD2      LEU  29   1.588  -5.958  12.958
  214    H    GLN  30           H        GLN  30   1.097  -2.529   8.339
  215    HA   GLN  30           HA       GLN  30   2.907  -3.928   6.569
  216    HB2  GLN  30           2HB      GLN  30   0.151  -2.853   5.797
  217    HB3  GLN  30           1HB      GLN  30   1.168  -3.938   4.927
  218    HG2  GLN  30           2HG      GLN  30  -0.787  -4.918   6.045
  219    HG3  GLN  30           1HG      GLN  30   0.727  -5.703   6.358
  220   HE21  GLN  30          1HE2      GLN  30   0.147  -6.700   8.229
  221   HE22  GLN  30          2HE2      GLN  30  -0.232  -5.864   9.689
  222    H    SER  31           H        SER  31   1.419  -0.689   6.774
  223    HA   SER  31           HA       SER  31   3.062   0.387   4.753
  224    HB2  SER  31           2HB      SER  31   2.192   2.610   5.461
  225    HB3  SER  31           1HB      SER  31   1.035   1.449   4.828
  226    HG   SER  31           HG       SER  31   0.176   2.290   6.675
  227    H    LYS  32           H        LYS  32   3.437   0.453   8.217
  228    HA   LYS  32           HA       LYS  32   5.593   2.246   8.447
  229    HB2  LYS  32           2HB      LYS  32   5.140  -0.365   9.923
  230    HB3  LYS  32           1HB      LYS  32   6.320   0.847  10.381
  231    HG2  LYS  32           2HG      LYS  32   3.368   1.379  10.280
  232    HG3  LYS  32           1HG      LYS  32   4.203   0.788  11.718
  233    HD2  LYS  32           2HD      LYS  32   4.319   3.034  12.139
  234    HD3  LYS  32           1HD      LYS  32   5.770   2.887  11.145
  235    HE2  LYS  32           2HE      LYS  32   4.287   3.415   9.158
  236    HE3  LYS  32           1HE      LYS  32   3.046   3.860  10.325
  237    HZ1  LYS  32           3HZ      LYS  32   5.590   5.192   9.714
  238    HZ2  LYS  32           1HZ      LYS  32   4.927   5.359  11.272
  239    HZ3  LYS  32           2HZ      LYS  32   4.044   5.857   9.914
  240    H    LYS  33           H        LYS  33   5.193  -0.442   6.668
  241    HA   LYS  33           HA       LYS  33   8.029  -1.314   6.756
  242    HB2  LYS  33           2HB      LYS  33   5.646  -2.460   5.278
  243    HB3  LYS  33           1HB      LYS  33   7.287  -3.039   5.071
  244    HG2  LYS  33           2HG      LYS  33   7.350  -3.816   7.340
  245    HG3  LYS  33           1HG      LYS  33   5.774  -3.102   7.670
  246    HD2  LYS  33           2HD      LYS  33   4.728  -4.581   6.068
  247    HD3  LYS  33           1HD      LYS  33   6.294  -5.229   5.594
  248    HE2  LYS  33           2HE      LYS  33   5.342  -5.420   8.429
  249    HE3  LYS  33           1HE      LYS  33   4.811  -6.583   7.215
  250    HZ1  LYS  33           3HZ      LYS  33   7.177  -7.041   6.751
  251    HZ2  LYS  33           1HZ      LYS  33   6.718  -7.444   8.330
  252    HZ3  LYS  33           2HZ      LYS  33   7.608  -6.034   8.049
  253    H    ILE  34           H        ILE  34   5.541  -0.408   4.442
  254    HA   ILE  34           HA       ILE  34   7.412  -0.285   2.310
  255    HB   ILE  34           HB       ILE  34   5.600   0.064   0.866
  256   HG12  ILE  34          2HG1      ILE  34   3.492   0.553   2.974
  257   HG13  ILE  34          1HG1      ILE  34   4.565   1.876   2.533
  258   HG21  ILE  34          1HG2      ILE  34   5.662  -2.147   1.826
  259   HG22  ILE  34          2HG2      ILE  34   3.991  -1.663   1.529
  260   HG23  ILE  34          3HG2      ILE  34   4.642  -1.621   3.168
  261   HD11  ILE  34          3HD1      ILE  34   2.515   1.844   1.198
  262   HD12  ILE  34          1HD1      ILE  34   2.924   0.228   0.617
  263   HD13  ILE  34          2HD1      ILE  34   3.943   1.603   0.190
  264    H    GLU  35           H        GLU  35   6.519   1.972   4.665
  265    HA   GLU  35           HA       GLU  35   6.731   4.373   3.197
  266    HB2  GLU  35           2HB      GLU  35   7.416   5.378   5.451
  267    HB3  GLU  35           1HB      GLU  35   5.820   4.663   5.314
  268    HG2  GLU  35           2HG      GLU  35   6.481   2.735   6.497
  269    HG3  GLU  35           1HG      GLU  35   8.186   3.204   6.448
  270    H    ASN  36           H        ASN  36   9.175   2.254   4.495
  271    HA   ASN  36           HA       ASN  36  11.254   4.234   4.015
  272    HB2  ASN  36           2HB      ASN  36  11.389   1.392   5.054
  273    HB3  ASN  36           1HB      ASN  36  12.805   2.406   4.800
  274   HD21  ASN  36          1HD2      ASN  36  10.039   1.788   6.778
  275   HD22  ASN  36          2HD2      ASN  36  10.436   2.897   8.042
  276    H    ASP  37           H        ASP  37   9.486   2.699   2.043
  277    HA   ASP  37           HA       ASP  37  11.657   2.048   0.171
  278    HB2  ASP  37           2HB      ASP  37   8.823   0.965   0.244
  279    HB3  ASP  37           1HB      ASP  37  10.018   0.591  -0.995
  280    HA   PRO  38           HA       PRO  38  10.127   5.386  -2.341
  281    HB2  PRO  38           2HB      PRO  38  10.522   3.647  -4.697
  282    HB3  PRO  38           1HB      PRO  38  11.266   5.203  -4.316
  283    HG2  PRO  38           2HG      PRO  38  12.660   2.920  -4.178
  284    HG3  PRO  38           1HG      PRO  38  12.928   4.247  -3.031
  285    HD2  PRO  38           2HD      PRO  38  11.422   1.688  -2.652
  286    HD3  PRO  38           1HD      PRO  38  12.496   2.544  -1.526
  287    H    ASP  39           H        ASP  39   8.714   2.398  -2.035
  288    HA   ASP  39           HA       ASP  39   6.725   2.619  -4.077
  289    HB2  ASP  39           2HB      ASP  39   7.088   0.635  -1.840
  290    HB3  ASP  39           1HB      ASP  39   5.872   0.501  -3.110
  291    H    PHE  40           H        PHE  40   6.810   3.255  -0.577
  292    HA   PHE  40           HA       PHE  40   4.020   3.858  -0.343
  293    HB2  PHE  40           2HB      PHE  40   6.118   3.827   1.410
  294    HB3  PHE  40           1HB      PHE  40   5.900   5.552   1.184
  295    HD1  PHE  40           2HD      PHE  40   2.858   3.481   1.033
  296    HD2  PHE  40           1HD      PHE  40   5.465   5.670   3.583
  297    HE1  PHE  40           2HE      PHE  40   1.204   3.386   2.795
  298    HE2  PHE  40           1HE      PHE  40   3.784   5.564   5.361
  299    HZ   PHE  40           HZ       PHE  40   1.679   4.377   4.959
  300    H    TYR  41           H        TYR  41   6.812   5.527  -1.522
  301    HA   TYR  41           HA       TYR  41   5.568   8.117  -1.613
  302    HB2  TYR  41           2HB      TYR  41   8.242   7.069  -2.520
  303    HB3  TYR  41           1HB      TYR  41   7.732   8.725  -2.813
  304    HD1  TYR  41           2HD      TYR  41   7.394  10.269  -0.937
  305    HD2  TYR  41           1HD      TYR  41   8.971   6.357  -0.297
  306    HE1  TYR  41           2HE      TYR  41   8.205  10.959   1.276
  307    HE2  TYR  41           1HE      TYR  41   9.787   7.049   1.911
  308    HH   TYR  41           HH       TYR  41   8.851   9.998   3.390
  309    H    LYS  42           H        LYS  42   5.028   5.496  -3.458
  310    HA   LYS  42           HA       LYS  42   5.112   6.500  -6.099
  311    HB2  LYS  42           2HB      LYS  42   3.228   4.492  -4.845
  312    HB3  LYS  42           1HB      LYS  42   3.329   4.793  -6.571
  313    HG2  LYS  42           2HG      LYS  42   5.449   3.650  -4.779
  314    HG3  LYS  42           1HG      LYS  42   4.568   2.823  -6.060
  315    HD2  LYS  42           2HD      LYS  42   5.645   4.183  -7.739
  316    HD3  LYS  42           1HD      LYS  42   6.434   5.155  -6.493
  317    HE2  LYS  42           2HE      LYS  42   7.582   3.103  -5.698
  318    HE3  LYS  42           1HE      LYS  42   6.874   2.226  -7.050
  319    HZ1  LYS  42           3HZ      LYS  42   9.172   2.964  -7.435
  320    HZ2  LYS  42           1HZ      LYS  42   8.667   4.579  -7.335
  321    HZ3  LYS  42           2HZ      LYS  42   8.090   3.578  -8.580
  322    H    ILE  43           H        ILE  43   2.676   6.610  -3.563
  323    HA   ILE  43           HA       ILE  43   1.265   8.694  -5.077
  324    HB   ILE  43           HB       ILE  43   0.268   7.038  -2.745
  325   HG12  ILE  43          2HG1      ILE  43  -0.459   7.007  -5.686
  326   HG13  ILE  43          1HG1      ILE  43   0.417   5.751  -4.822
  327   HG21  ILE  43          1HG2      ILE  43  -0.671   9.273  -2.699
  328   HG22  ILE  43          2HG2      ILE  43  -1.902   8.107  -3.190
  329   HG23  ILE  43          3HG2      ILE  43  -1.129   9.138  -4.398
  330   HD11  ILE  43          3HD1      ILE  43  -1.907   5.144  -5.197
  331   HD12  ILE  43          1HD1      ILE  43  -2.432   6.570  -4.307
  332   HD13  ILE  43          2HD1      ILE  43  -1.551   5.286  -3.477
  333    H    ARG  44           H        ARG  44   1.498  10.706  -4.417
  334    HA   ARG  44           HA       ARG  44   3.348  11.373  -2.412
  335    HB2  ARG  44           2HB      ARG  44   2.689  13.713  -2.882
  336    HB3  ARG  44           1HB      ARG  44   3.045  12.788  -4.335
  337    HG2  ARG  44           2HG      ARG  44   0.600  12.437  -4.632
  338    HG3  ARG  44           1HG      ARG  44   0.328  13.525  -3.271
  339    HD2  ARG  44           2HD      ARG  44   0.089  14.735  -5.348
  340    HD3  ARG  44           1HD      ARG  44   1.518  15.306  -4.487
  341    HE   ARG  44           HE       ARG  44   2.878  14.051  -6.052
  342   HH11  ARG  44          1HH1      ARG  44  -0.502  14.447  -6.913
  343   HH12  ARG  44          2HH1      ARG  44  -0.231  14.200  -8.612
  344   HH21  ARG  44          1HH2      ARG  44   3.228  13.724  -8.288
  345   HH22  ARG  44          2HH2      ARG  44   1.889  13.792  -9.390
  346    H    ASP  45           H        ASP  45  -0.131  11.068  -2.298
  347    HA   ASP  45           HA       ASP  45  -0.137  12.231   0.393
  348    HB2  ASP  45           2HB      ASP  45  -2.631  12.168   0.159
  349    HB3  ASP  45           1HB      ASP  45  -1.815  13.214  -1.000
  350    H    ASP  46           H        ASP  46  -0.674  11.111   2.156
  351    HA   ASP  46           HA       ASP  46  -0.453   8.220   1.988
  352    HB2  ASP  46           2HB      ASP  46   0.685   9.719   3.709
  353    HB3  ASP  46           1HB      ASP  46  -0.896   9.915   4.456
  354    H    THR  47           H        THR  47  -2.965  10.521   2.161
  355    HA   THR  47           HA       THR  47  -4.848   9.118   3.731
  356    HB   THR  47           HB       THR  47  -5.009  11.538   3.292
  357    HG1  THR  47           1HG      THR  47  -6.921  10.010   3.667
  358   HG21  THR  47          3HG2      THR  47  -5.912  12.349   1.164
  359   HG22  THR  47          1HG2      THR  47  -5.831  10.715   0.507
  360   HG23  THR  47          2HG2      THR  47  -4.347  11.565   0.941
  361    H    VAL  48           H        VAL  48  -3.876   8.779   0.440
  362    HA   VAL  48           HA       VAL  48  -6.190   7.117  -0.175
  363    HB   VAL  48           HB       VAL  48  -3.948   8.215  -1.861
  364   HG11  VAL  48          1HG1      VAL  48  -6.022   6.187  -2.710
  365   HG12  VAL  48          2HG1      VAL  48  -4.283   5.913  -2.606
  366   HG13  VAL  48          3HG1      VAL  48  -4.929   7.046  -3.793
  367   HG21  VAL  48          3HG2      VAL  48  -5.806   9.209  -3.109
  368   HG22  VAL  48          1HG2      VAL  48  -5.839   9.680  -1.409
  369   HG23  VAL  48          2HG2      VAL  48  -6.951   8.447  -2.006
  370    H    ARG  49           H        ARG  49  -2.809   6.885   0.604
  371    HA   ARG  49           HA       ARG  49  -2.095   4.415  -0.457
  372    HB2  ARG  49           2HB      ARG  49  -1.240   5.612   2.180
  373    HB3  ARG  49           1HB      ARG  49  -0.425   4.297   1.380
  374    HG2  ARG  49           2HG      ARG  49   0.096   5.758  -0.498
  375    HG3  ARG  49           1HG      ARG  49  -0.750   7.055   0.335
  376    HD2  ARG  49           2HD      ARG  49   0.827   6.808   2.228
  377    HD3  ARG  49           1HD      ARG  49   1.724   5.641   1.266
  378    HE   ARG  49           HE       ARG  49   1.781   7.695  -0.378
  379   HH11  ARG  49          1HH1      ARG  49   2.149   7.690   3.102
  380   HH12  ARG  49          2HH1      ARG  49   3.246   9.038   3.112
  381   HH21  ARG  49          1HH2      ARG  49   3.188   9.473  -0.379
  382   HH22  ARG  49          2HH2      ARG  49   3.826  10.072   1.121
  383    H    GLU  50           H        GLU  50  -3.598   5.064   2.722
  384    HA   GLU  50           HA       GLU  50  -3.530   2.234   3.161
  385    HB2  GLU  50           2HB      GLU  50  -5.028   3.206   5.157
  386    HB3  GLU  50           1HB      GLU  50  -3.418   2.777   5.242
  387    HG2  GLU  50           2HG      GLU  50  -3.811   4.752   6.249
  388    HG3  GLU  50           1HG      GLU  50  -2.725   4.995   5.010
  389    H    SER  51           H        SER  51  -5.936   4.545   2.190
  390    HA   SER  51           HA       SER  51  -8.135   2.778   2.226
  391    HB2  SER  51           2HB      SER  51  -7.494   4.891   0.138
  392    HB3  SER  51           1HB      SER  51  -9.081   4.187   0.444
  393    HG   SER  51           HG       SER  51  -7.659   6.094   1.891
  394    H    LEU  52           H        LEU  52  -5.245   2.450   0.655
  395    HA   LEU  52           HA       LEU  52  -6.031   1.319  -1.736
  396    HB2  LEU  52           2HB      LEU  52  -3.481   1.413  -0.318
  397    HB3  LEU  52           1HB      LEU  52  -3.610   0.658  -1.848
  398    HG   LEU  52           HG       LEU  52  -4.091   3.562  -1.228
  399   HD11  LEU  52          1HD1      LEU  52  -1.782   2.983  -1.558
  400   HD12  LEU  52          2HD1      LEU  52  -2.381   3.984  -2.882
  401   HD13  LEU  52          3HD1      LEU  52  -2.174   2.248  -3.112
  402   HD21  LEU  52          3HD2      LEU  52  -4.686   3.892  -3.570
  403   HD22  LEU  52          1HD2      LEU  52  -5.838   2.853  -2.735
  404   HD23  LEU  52          2HD2      LEU  52  -4.642   2.147  -3.820
  405    H    PHE  53           H        PHE  53  -4.987   0.289   0.974
  406    HA   PHE  53           HA       PHE  53  -4.128  -2.248   0.235
  407    HB2  PHE  53           2HB      PHE  53  -2.926  -1.179   1.678
  408    HB3  PHE  53           1HB      PHE  53  -4.222   0.054   1.711
  409    HD1  PHE  53           2HD      PHE  53  -5.757  -0.022   3.548
  410    HD2  PHE  53           1HD      PHE  53  -2.592  -2.793   3.355
  411    HE1  PHE  53           2HE      PHE  53  -6.150  -0.597   5.930
  412    HE2  PHE  53           1HE      PHE  53  -2.938  -3.402   5.730
  413    HZ   PHE  53           HZ       PHE  53  -4.728  -2.292   7.019
  414    H    GLU  54           H        GLU  54  -6.726  -0.733   1.951
  415    HA   GLU  54           HA       GLU  54  -8.131  -2.976   2.942
  416    HB2  GLU  54           2HB      GLU  54  -9.756  -0.740   1.865
  417    HB3  GLU  54           1HB      GLU  54  -9.827  -1.524   3.435
  418    HG2  GLU  54           2HG      GLU  54  -7.703  -0.329   4.009
  419    HG3  GLU  54           1HG      GLU  54  -7.920   0.579   2.509
  420    H    GLU  55           H        GLU  55  -8.263  -1.302  -0.158
  421    HA   GLU  55           HA       GLU  55 -10.294  -2.883  -1.327
  422    HB2  GLU  55           2HB      GLU  55  -8.086  -1.200  -2.497
  423    HB3  GLU  55           1HB      GLU  55  -9.211  -2.084  -3.518
  424    HG2  GLU  55           2HG      GLU  55 -10.035  -0.053  -1.458
  425    HG3  GLU  55           1HG      GLU  55  -9.798   0.297  -3.170
  426    H    TRP  56           H        TRP  56  -6.754  -3.104  -1.590
  427    HA   TRP  56           HA       TRP  56  -6.797  -5.417  -3.196
  428    HB2  TRP  56           2HB      TRP  56  -4.954  -4.158  -3.471
  429    HB3  TRP  56           1HB      TRP  56  -4.717  -3.973  -1.747
  430    HD1  TRP  56           HD       TRP  56  -4.020  -6.597  -4.302
  431    HE1  TRP  56           1HE      TRP  56  -2.295  -8.249  -3.396
  432    HE3  TRP  56           3HE      TRP  56  -3.505  -4.192  -0.619
  433    HZ2  TRP  56           2HZ      TRP  56  -0.700  -8.200  -1.105
  434    HZ3  TRP  56           3HZ      TRP  56  -1.782  -4.610   0.522
  435    HH2  TRP  56           HH       TRP  56  -0.404  -6.570   0.694
  436    H    CYS  57           H        CYS  57  -7.186  -4.897   0.023
  437    HA   CYS  57           HA       CYS  57  -6.262  -7.270   1.233
  438    HB2  CYS  57           2HB      CYS  57  -6.887  -5.330   2.565
  439    HB3  CYS  57           1HB      CYS  57  -8.546  -5.420   1.992
  440    HG   CYS  57           HG       CYS  57  -7.894  -6.338   4.757
  441    H    GLY  58           H        GLY  58  -9.481  -6.266   0.054
  442    HA2  GLY  58           2HA      GLY  58 -10.372  -9.078   0.085
  443    HA3  GLY  58           1HA      GLY  58 -11.424  -7.667  -0.014
  444    H    GLU  59           H        GLU  59  -8.496  -8.021  -1.789
  445    HA   GLU  59           HA       GLU  59  -9.980  -7.666  -4.267
  446    HB2  GLU  59           2HB      GLU  59  -7.815  -6.352  -3.212
  447    HB3  GLU  59           1HB      GLU  59  -7.031  -7.562  -4.250
  448    HG2  GLU  59           2HG      GLU  59  -9.077  -5.540  -5.143
  449    HG3  GLU  59           1HG      GLU  59  -7.344  -5.491  -5.463
  Start of MODEL    4
    1    H1   ASP   5           H        ASP   5  -6.303   7.413 -11.012
    2    HA   ASP   5           HA       ASP   5  -8.954   8.017 -10.304
    3    HB2  ASP   5           2HB      ASP   5  -8.916   9.231 -12.507
    4    HB3  ASP   5           1HB      ASP   5  -8.591   7.689 -13.295
    5    H    ILE   6           H        ILE   6  -8.427   6.173  -9.144
    6    HA   ILE   6           HA       ILE   6  -7.827   4.022  -8.720
    7    HB   ILE   6           HB       ILE   6  -9.522   2.389  -9.503
    8   HG12  ILE   6          2HG1      ILE   6 -10.836   4.857 -10.664
    9   HG13  ILE   6          1HG1      ILE   6 -10.203   3.505 -11.594
   10   HG21  ILE   6          1HG2      ILE   6  -9.666   3.504  -7.368
   11   HG22  ILE   6          2HG2      ILE   6 -11.280   3.336  -8.059
   12   HG23  ILE   6          3HG2      ILE   6 -10.454   4.894  -8.115
   13   HD11  ILE   6          3HD1      ILE   6 -12.616   3.394 -11.409
   14   HD12  ILE   6          1HD1      ILE   6 -12.495   3.391  -9.649
   15   HD13  ILE   6          2HD1      ILE   6 -11.861   2.033 -10.579
   16    H    ASP   7           H        ASP   7  -5.958   3.613  -9.514
   17    HA   ASP   7           HA       ASP   7  -5.631   1.832 -11.582
   18    HB2  ASP   7           2HB      ASP   7  -5.788   3.636 -13.107
   19    HB3  ASP   7           1HB      ASP   7  -4.678   4.550 -12.092
   20    H    GLU   8           H        GLU   8  -4.351   4.009 -10.231
   21    HA   GLU   8           HA       GLU   8  -1.706   3.134  -9.610
   22    HB2  GLU   8           2HB      GLU   8  -1.434   5.144  -8.296
   23    HB3  GLU   8           1HB      GLU   8  -2.288   5.540  -9.775
   24    HG2  GLU   8           2HG      GLU   8  -3.505   5.232  -7.038
   25    HG3  GLU   8           1HG      GLU   8  -3.219   6.744  -7.897
   26    H    ARG   9           H        ARG   9  -4.749   2.885  -7.994
   27    HA   ARG   9           HA       ARG   9  -3.970   2.217  -5.401
   28    HB2  ARG   9           2HB      ARG   9  -6.137   1.176  -5.196
   29    HB3  ARG   9           1HB      ARG   9  -6.307   2.587  -6.222
   30    HG2  ARG   9           2HG      ARG   9  -6.371   1.190  -8.199
   31    HG3  ARG   9           1HG      ARG   9  -6.122  -0.245  -7.210
   32    HD2  ARG   9           2HD      ARG   9  -8.241   0.345  -6.005
   33    HD3  ARG   9           1HD      ARG   9  -8.514   1.586  -7.227
   34    HE   ARG   9           HE       ARG   9  -8.486  -0.309  -8.867
   35   HH11  ARG   9          1HH1      ARG   9  -9.377  -0.783  -5.511
   36   HH12  ARG   9          2HH1      ARG   9 -10.260  -2.261  -5.824
   37   HH21  ARG   9          1HH2      ARG   9  -9.667  -2.231  -9.291
   38   HH22  ARG   9          2HH2      ARG   9 -10.448  -3.067  -7.975
   39    H    ASN  10           H        ASN  10  -4.399   0.085  -8.208
   40    HA   ASN  10           HA       ASN  10  -3.774  -2.324  -6.820
   41    HB2  ASN  10           2HB      ASN  10  -3.770  -1.627  -9.772
   42    HB3  ASN  10           1HB      ASN  10  -3.389  -3.239  -9.171
   43   HD21  ASN  10          1HD2      ASN  10  -5.865  -0.848  -9.585
   44   HD22  ASN  10          2HD2      ASN  10  -7.206  -1.872  -9.203
   45    H    ILE  11           H        ILE  11  -1.835   0.216  -7.998
   46    HA   ILE  11           HA       ILE  11   0.589  -1.182  -8.232
   47    HB   ILE  11           HB       ILE  11  -0.094   1.683  -7.698
   48   HG12  ILE  11          2HG1      ILE  11   1.314   2.004  -9.731
   49   HG13  ILE  11          1HG1      ILE  11   1.547   0.263  -9.806
   50   HG21  ILE  11          1HG2      ILE  11   2.283   2.269  -7.558
   51   HG22  ILE  11          2HG2      ILE  11   2.695   0.555  -7.497
   52   HG23  ILE  11          3HG2      ILE  11   1.765   1.285  -6.188
   53   HD11  ILE  11          3HD1      ILE  11  -0.140   0.986 -11.377
   54   HD12  ILE  11          1HD1      ILE  11  -1.073   1.712 -10.070
   55   HD13  ILE  11          2HD1      ILE  11  -0.854  -0.036 -10.128
   56    H    PHE  12           H        PHE  12  -1.088   0.242  -5.382
   57    HA   PHE  12           HA       PHE  12   1.197  -0.257  -3.722
   58    HB2  PHE  12           2HB      PHE  12  -1.516   0.837  -3.318
   59    HB3  PHE  12           1HB      PHE  12  -0.758   0.124  -1.900
   60    HD1  PHE  12           2HD      PHE  12   0.588   2.116  -4.753
   61    HD2  PHE  12           1HD      PHE  12   0.020   1.932  -0.514
   62    HE1  PHE  12           2HE      PHE  12   1.842   4.200  -4.483
   63    HE2  PHE  12           1HE      PHE  12   1.290   4.007  -0.265
   64    HZ   PHE  12           HZ       PHE  12   2.195   5.150  -2.243
   65    H    PHE  13           H        PHE  13  -2.068  -1.835  -3.674
   66    HA   PHE  13           HA       PHE  13  -1.920  -4.418  -2.403
   67    HB2  PHE  13           2HB      PHE  13  -2.234  -4.303  -5.077
   68    HB3  PHE  13           1HB      PHE  13  -3.151  -5.029  -4.000
   69    HD1  PHE  13           2HD      PHE  13  -3.304  -1.859  -2.829
   70    HD2  PHE  13           1HD      PHE  13  -4.615  -4.200  -6.133
   71    HE1  PHE  13           2HE      PHE  13  -5.289  -0.420  -3.083
   72    HE2  PHE  13           1HE      PHE  13  -6.609  -2.795  -6.353
   73    HZ   PHE  13           HZ       PHE  13  -6.952  -0.916  -4.828
   74    H    GLU  14           H        GLU  14  -0.393  -3.398  -5.580
   75    HA   GLU  14           HA       GLU  14   0.784  -5.933  -6.088
   76    HB2  GLU  14           2HB      GLU  14   0.297  -4.029  -7.745
   77    HB3  GLU  14           1HB      GLU  14   1.788  -3.305  -7.179
   78    HG2  GLU  14           2HG      GLU  14   1.716  -6.094  -8.268
   79    HG3  GLU  14           1HG      GLU  14   1.855  -4.689  -9.320
   80    H    LEU  15           H        LEU  15   2.177  -2.843  -5.045
   81    HA   LEU  15           HA       LEU  15   4.677  -3.756  -4.165
   82    HB2  LEU  15           2HB      LEU  15   3.119  -1.766  -2.550
   83    HB3  LEU  15           1HB      LEU  15   4.828  -1.786  -2.910
   84    HG   LEU  15           HG       LEU  15   2.679  -1.143  -4.895
   85   HD11  LEU  15          1HD1      LEU  15   4.473   0.695  -3.336
   86   HD12  LEU  15          2HD1      LEU  15   2.727   0.530  -3.161
   87   HD13  LEU  15          3HD1      LEU  15   3.406   1.180  -4.651
   88   HD21  LEU  15          3HD2      LEU  15   4.533  -0.293  -6.260
   89   HD22  LEU  15          1HD2      LEU  15   4.714  -2.016  -5.921
   90   HD23  LEU  15          2HD2      LEU  15   5.679  -0.835  -5.032
   91    H    PHE  16           H        PHE  16   1.399  -4.109  -2.862
   92    HA   PHE  16           HA       PHE  16   2.329  -4.433  -0.191
   93    HB2  PHE  16           2HB      PHE  16  -0.115  -4.322  -1.796
   94    HB3  PHE  16           1HB      PHE  16  -0.239  -4.929  -0.201
   95    HD1  PHE  16           1HD      PHE  16   2.007  -2.397   0.227
   96    HD2  PHE  16           2HD      PHE  16  -2.154  -2.953  -0.827
   97    HE1  PHE  16           1HE      PHE  16   1.453  -0.134   1.032
   98    HE2  PHE  16           2HE      PHE  16  -2.625  -0.722  -0.014
   99    HZ   PHE  16           HZ       PHE  16  -0.877   0.681   0.892
  100    H    ASP  17           H        ASP  17   1.440  -6.336  -2.966
  101    HA   ASP  17           HA       ASP  17   1.647  -8.862  -1.608
  102    HB2  ASP  17           2HB      ASP  17   0.334  -8.536  -3.713
  103    HB3  ASP  17           1HB      ASP  17   1.848  -8.311  -4.571
  104    H    ARG  18           H        ARG  18   3.610  -6.943  -3.745
  105    HA   ARG  18           HA       ARG  18   5.834  -8.549  -4.052
  106    HB2  ARG  18           2HB      ARG  18   5.432  -6.424  -5.235
  107    HB3  ARG  18           1HB      ARG  18   5.767  -5.541  -3.758
  108    HG2  ARG  18           2HG      ARG  18   8.056  -6.246  -3.792
  109    HG3  ARG  18           1HG      ARG  18   7.746  -7.322  -5.156
  110    HD2  ARG  18           2HD      ARG  18   7.561  -4.313  -5.154
  111    HD3  ARG  18           1HD      ARG  18   8.802  -5.292  -5.937
  112    HE   ARG  18           HE       ARG  18   5.951  -5.355  -6.729
  113   HH11  ARG  18          1HH1      ARG  18   9.366  -5.294  -7.530
  114   HH12  ARG  18          2HH1      ARG  18   9.087  -5.460  -9.242
  115   HH21  ARG  18          1HH2      ARG  18   5.586  -5.548  -8.946
  116   HH22  ARG  18          2HH2      ARG  18   6.932  -5.583 -10.047
  117    H    TYR  19           H        TYR  19   4.851  -6.649  -1.304
  118    HA   TYR  19           HA       TYR  19   7.384  -7.285   0.052
  119    HB2  TYR  19           2HB      TYR  19   5.282  -5.186   0.553
  120    HB3  TYR  19           1HB      TYR  19   6.450  -5.621   1.791
  121    HD1  TYR  19           2HD      TYR  19   8.274  -6.061  -1.056
  122    HD2  TYR  19           1HD      TYR  19   6.484  -2.899   1.162
  123    HE1  TYR  19           2HE      TYR  19   9.917  -4.482  -1.975
  124    HE2  TYR  19           1HE      TYR  19   8.114  -1.322   0.245
  125    HH   TYR  19           HH       TYR  19  10.183  -1.212  -0.768
  126    H    LYS  20           H        LYS  20   4.365  -8.472  -0.341
  127    HA   LYS  20           HA       LYS  20   2.873  -9.740   0.804
  128    HB2  LYS  20           2HB      LYS  20   5.427 -10.552   2.105
  129    HB3  LYS  20           1HB      LYS  20   3.912 -11.302   2.536
  130    HG2  LYS  20           2HG      LYS  20   4.848 -12.768   0.994
  131    HG3  LYS  20           1HG      LYS  20   3.676 -11.850   0.052
  132    HD2  LYS  20           2HD      LYS  20   5.564 -10.367  -0.673
  133    HD3  LYS  20           1HD      LYS  20   6.668 -11.498   0.112
  134    HE2  LYS  20           2HE      LYS  20   6.523 -11.987  -2.256
  135    HE3  LYS  20           1HE      LYS  20   5.809 -13.301  -1.323
  136    HZ1  LYS  20           3HZ      LYS  20   4.411 -12.780  -3.199
  137    HZ2  LYS  20           1HZ      LYS  20   4.337 -11.149  -2.747
  138    HZ3  LYS  20           2HZ      LYS  20   3.607 -12.331  -1.777
  139    H    LEU  21           H        LEU  21   1.907  -7.836   1.653
  140    HA   LEU  21           HA       LEU  21   2.579  -7.037   4.364
  141    HB2  LEU  21           2HB      LEU  21   0.345  -6.277   2.498
  142    HB3  LEU  21           1HB      LEU  21   0.544  -5.617   4.101
  143    HG   LEU  21           HG       LEU  21   1.260  -4.299   2.046
  144   HD11  LEU  21          1HD1      LEU  21   1.657  -3.528   4.285
  145   HD12  LEU  21          2HD1      LEU  21   3.064  -3.192   3.277
  146   HD13  LEU  21          3HD1      LEU  21   3.089  -4.548   4.406
  147   HD21  LEU  21          3HD2      LEU  21   3.643  -4.468   1.478
  148   HD22  LEU  21          1HD2      LEU  21   2.735  -5.900   0.991
  149   HD23  LEU  21          2HD2      LEU  21   3.744  -5.944   2.437
  150    H    ASP  22           H        ASP  22   0.987  -6.946   5.975
  151    HA   ASP  22           HA       ASP  22  -0.920  -9.169   5.909
  152    HB2  ASP  22           2HB      ASP  22   0.009  -7.357   8.148
  153    HB3  ASP  22           1HB      ASP  22  -1.228  -8.600   8.354
  154    H    LYS  23           H        LYS  23  -2.272  -8.434   4.559
  155    HA   LYS  23           HA       LYS  23  -2.928  -5.710   4.251
  156    HB2  LYS  23           2HB      LYS  23  -3.238  -7.921   2.719
  157    HB3  LYS  23           1HB      LYS  23  -4.903  -7.557   3.173
  158    HG2  LYS  23           2HG      LYS  23  -3.145  -6.169   1.313
  159    HG3  LYS  23           1HG      LYS  23  -4.905  -6.016   1.562
  160    HD2  LYS  23           2HD      LYS  23  -4.224  -3.915   2.128
  161    HD3  LYS  23           1HD      LYS  23  -4.081  -4.689   3.708
  162    HE2  LYS  23           2HE      LYS  23  -1.646  -5.241   2.558
  163    HE3  LYS  23           1HE      LYS  23  -2.014  -3.630   1.930
  164    HZ1  LYS  23           3HZ      LYS  23  -0.803  -3.500   4.007
  165    HZ2  LYS  23           1HZ      LYS  23  -2.014  -4.375   4.802
  166    HZ3  LYS  23           2HZ      LYS  23  -2.350  -2.840   4.178
  167    H    PHE  24           H        PHE  24  -4.409  -8.254   6.159
  168    HA   PHE  24           HA       PHE  24  -6.734  -6.546   6.688
  169    HB2  PHE  24           2HB      PHE  24  -7.742  -8.622   7.661
  170    HB3  PHE  24           1HB      PHE  24  -7.356  -8.736   5.948
  171    HD1  PHE  24           1HD      PHE  24  -6.470  -9.883   9.315
  172    HD2  PHE  24           2HD      PHE  24  -5.641 -10.223   5.154
  173    HE1  PHE  24           1HE      PHE  24  -5.177 -11.932   9.744
  174    HE2  PHE  24           2HE      PHE  24  -4.349 -12.271   5.575
  175    HZ   PHE  24           HZ       PHE  24  -4.115 -13.131   7.872
  176    H    SER  25           H        SER  25  -3.827  -6.782   8.038
  177    HA   SER  25           HA       SER  25  -4.694  -7.183  10.786
  178    HB2  SER  25           2HB      SER  25  -2.574  -8.193  10.031
  179    HB3  SER  25           1HB      SER  25  -1.927  -6.590   9.701
  180    HG   SER  25           HG       SER  25  -2.889  -6.756  12.233
  181    H    THR  26           H        THR  26  -2.393  -4.730   9.634
  182    HA   THR  26           HA       THR  26  -4.130  -2.579  10.651
  183    HB   THR  26           HB       THR  26  -1.742  -1.557  11.358
  184    HG1  THR  26           1HG      THR  26  -1.211  -3.862  12.665
  185   HG21  THR  26          3HG2      THR  26  -2.330  -2.103  13.695
  186   HG22  THR  26          1HG2      THR  26  -3.478  -3.317  13.131
  187   HG23  THR  26          2HG2      THR  26  -3.748  -1.613  12.770
  188    H    TRP  27           H        TRP  27  -3.745  -0.676   9.854
  189    HA   TRP  27           HA       TRP  27  -2.910  -0.662   7.134
  190    HB2  TRP  27           2HB      TRP  27  -4.415   1.077   7.634
  191    HB3  TRP  27           1HB      TRP  27  -3.561   1.510   9.115
  192    HD1  TRP  27           HD       TRP  27  -2.513   3.853   8.708
  193    HE1  TRP  27           1HE      TRP  27  -1.278   5.097   6.929
  194    HE3  TRP  27           3HE      TRP  27  -2.926   0.392   5.172
  195    HZ2  TRP  27           2HZ      TRP  27  -0.644   4.705   4.309
  196    HZ3  TRP  27           3HZ      TRP  27  -2.060   0.966   2.946
  197    HH2  TRP  27           HH       TRP  27  -1.100   3.157   2.646
  198    H    SER  28           H        SER  28  -1.501   0.667  10.118
  199    HA   SER  28           HA       SER  28   0.718   1.366   8.545
  200    HB2  SER  28           2HB      SER  28   1.785   1.955  10.567
  201    HB3  SER  28           1HB      SER  28   0.612   3.000   9.874
  202    HG   SER  28           HG       SER  28   0.357   2.741  12.195
  203    H    LEU  29           H        LEU  29   0.216  -1.406  10.600
  204    HA   LEU  29           HA       LEU  29   2.937  -1.937  11.036
  205    HB2  LEU  29           2HB      LEU  29   1.048  -3.448  11.745
  206    HB3  LEU  29           1HB      LEU  29   0.862  -3.948  10.077
  207    HG   LEU  29           HG       LEU  29   3.164  -4.876  10.129
  208   HD11  LEU  29          1HD1      LEU  29   4.090  -3.482  11.897
  209   HD12  LEU  29          2HD1      LEU  29   4.262  -5.193  12.289
  210   HD13  LEU  29          3HD1      LEU  29   3.006  -4.232  13.071
  211   HD21  LEU  29          3HD2      LEU  29   2.601  -6.830  11.491
  212   HD22  LEU  29          1HD2      LEU  29   1.230  -6.306  10.513
  213   HD23  LEU  29          2HD2      LEU  29   1.279  -5.930  12.236
  214    H    GLN  30           H        GLN  30   0.955  -1.767   8.314
  215    HA   GLN  30           HA       GLN  30   2.893  -2.817   6.422
  216    HB2  GLN  30           2HB      GLN  30   0.241  -1.495   5.867
  217    HB3  GLN  30           1HB      GLN  30   1.224  -2.410   4.732
  218    HG2  GLN  30           2HG      GLN  30  -0.589  -3.352   6.821
  219    HG3  GLN  30           1HG      GLN  30  -0.231  -4.046   5.286
  220   HE21  GLN  30          1HE2      GLN  30  -0.408  -5.142   8.062
  221   HE22  GLN  30          2HE2      GLN  30   1.064  -6.025   8.282
  222    H    SER  31           H        SER  31   1.323   0.295   7.060
  223    HA   SER  31           HA       SER  31   2.994   1.715   5.306
  224    HB2  SER  31           2HB      SER  31   1.914   3.774   6.324
  225    HB3  SER  31           1HB      SER  31   0.950   2.686   5.323
  226    HG   SER  31           HG       SER  31  -0.150   3.157   7.219
  227    H    LYS  32           H        LYS  32   3.111   1.369   8.751
  228    HA   LYS  32           HA       LYS  32   5.180   3.282   9.158
  229    HB2  LYS  32           2HB      LYS  32   4.901   2.712  11.323
  230    HB3  LYS  32           1HB      LYS  32   3.598   1.681  10.782
  231    HG2  LYS  32           2HG      LYS  32   6.423   0.872  11.467
  232    HG3  LYS  32           1HG      LYS  32   4.932   0.455  12.307
  233    HD2  LYS  32           2HD      LYS  32   4.225  -0.875  10.379
  234    HD3  LYS  32           1HD      LYS  32   5.758  -0.511   9.583
  235    HE2  LYS  32           2HE      LYS  32   5.399  -1.983  12.192
  236    HE3  LYS  32           1HE      LYS  32   5.844  -2.698  10.644
  237    HZ1  LYS  32           3HZ      LYS  32   7.874  -1.320  10.685
  238    HZ2  LYS  32           1HZ      LYS  32   7.791  -2.410  11.983
  239    HZ3  LYS  32           2HZ      LYS  32   7.453  -0.768  12.235
  240    H    LYS  33           H        LYS  33   4.895   0.557   7.438
  241    HA   LYS  33           HA       LYS  33   7.740  -0.229   7.703
  242    HB2  LYS  33           2HB      LYS  33   6.435  -2.154   8.077
  243    HB3  LYS  33           1HB      LYS  33   5.332  -1.770   6.764
  244    HG2  LYS  33           2HG      LYS  33   6.865  -2.441   5.125
  245    HG3  LYS  33           1HG      LYS  33   8.219  -2.400   6.253
  246    HD2  LYS  33           2HD      LYS  33   7.477  -4.696   5.674
  247    HD3  LYS  33           1HD      LYS  33   7.395  -4.345   7.399
  248    HE2  LYS  33           2HE      LYS  33   5.003  -3.992   7.242
  249    HE3  LYS  33           1HE      LYS  33   5.059  -4.234   5.495
  250    HZ1  LYS  33           3HZ      LYS  33   6.115  -6.354   7.223
  251    HZ2  LYS  33           1HZ      LYS  33   5.341  -6.471   5.725
  252    HZ3  LYS  33           2HZ      LYS  33   4.431  -6.182   7.125
  253    H    ILE  34           H        ILE  34   5.242   0.109   5.164
  254    HA   ILE  34           HA       ILE  34   7.230   0.324   3.114
  255    HB   ILE  34           HB       ILE  34   5.483   0.621   1.543
  256   HG12  ILE  34          2HG1      ILE  34   3.286   0.919   3.624
  257   HG13  ILE  34          1HG1      ILE  34   4.188   2.315   3.059
  258   HG21  ILE  34          1HG2      ILE  34   4.550  -1.258   3.697
  259   HG22  ILE  34          2HG2      ILE  34   5.679  -1.615   2.389
  260   HG23  ILE  34          3HG2      ILE  34   3.988  -1.263   2.024
  261   HD11  ILE  34          3HD1      ILE  34   2.127   1.965   1.815
  262   HD12  ILE  34          1HD1      ILE  34   2.676   0.357   1.346
  263   HD13  ILE  34          2HD1      ILE  34   3.535   1.784   0.767
  264    H    GLU  35           H        GLU  35   6.253   2.332   5.439
  265    HA   GLU  35           HA       GLU  35   5.845   4.849   4.704
  266    HB2  GLU  35           2HB      GLU  35   6.225   4.146   7.003
  267    HB3  GLU  35           1HB      GLU  35   7.942   3.949   6.679
  268    HG2  GLU  35           2HG      GLU  35   6.977   6.569   5.979
  269    HG3  GLU  35           1HG      GLU  35   6.707   6.197   7.681
  270    H    ASN  36           H        ASN  36   9.229   4.091   5.309
  271    HA   ASN  36           HA       ASN  36  10.061   6.195   3.551
  272    HB2  ASN  36           2HB      ASN  36  12.353   5.601   4.278
  273    HB3  ASN  36           1HB      ASN  36  11.257   5.880   5.626
  274   HD21  ASN  36          1HD2      ASN  36  10.667   4.178   6.943
  275   HD22  ASN  36          2HD2      ASN  36  11.498   2.657   6.909
  276    H    ASP  37           H        ASP  37   8.884   3.473   2.578
  277    HA   ASP  37           HA       ASP  37  10.947   2.692   0.693
  278    HB2  ASP  37           2HB      ASP  37   8.107   1.795   1.170
  279    HB3  ASP  37           1HB      ASP  37   8.988   1.288  -0.268
  280    HA   PRO  38           HA       PRO  38  10.045   5.781  -2.280
  281    HB2  PRO  38           2HB      PRO  38  10.629   4.389  -4.580
  282    HB3  PRO  38           1HB      PRO  38  11.840   5.121  -3.524
  283    HG2  PRO  38           2HG      PRO  38  10.919   2.282  -3.673
  284    HG3  PRO  38           1HG      PRO  38  12.561   2.918  -3.460
  285    HD2  PRO  38           2HD      PRO  38  11.137   1.946  -1.395
  286    HD3  PRO  38           1HD      PRO  38  12.244   3.319  -1.200
  287    H    ASP  39           H        ASP  39   8.484   2.711  -2.333
  288    HA   ASP  39           HA       ASP  39   6.676   3.344  -4.477
  289    HB2  ASP  39           2HB      ASP  39   5.575   1.164  -3.617
  290    HB3  ASP  39           1HB      ASP  39   7.144   1.090  -4.406
  291    H    PHE  40           H        PHE  40   6.539   3.521  -0.950
  292    HA   PHE  40           HA       PHE  40   3.799   4.070  -0.617
  293    HB2  PHE  40           2HB      PHE  40   5.861   3.941   1.051
  294    HB3  PHE  40           1HB      PHE  40   5.887   5.672   0.815
  295    HD1  PHE  40           1HD      PHE  40   2.616   3.822   1.092
  296    HD2  PHE  40           2HD      PHE  40   5.600   6.112   3.091
  297    HE1  PHE  40           1HE      PHE  40   1.186   3.985   3.030
  298    HE2  PHE  40           2HE      PHE  40   4.135   6.278   5.044
  299    HZ   PHE  40           HZ       PHE  40   1.953   5.170   5.016
  300    H    TYR  41           H        TYR  41   6.437   5.919  -1.914
  301    HA   TYR  41           HA       TYR  41   5.009   8.428  -1.964
  302    HB2  TYR  41           2HB      TYR  41   7.724   7.592  -2.975
  303    HB3  TYR  41           1HB      TYR  41   7.073   9.211  -3.206
  304    HD1  TYR  41           1HD      TYR  41   6.781  10.717  -1.309
  305    HD2  TYR  41           2HD      TYR  41   8.496   6.856  -0.800
  306    HE1  TYR  41           1HE      TYR  41   7.626  11.390   0.899
  307    HE2  TYR  41           2HE      TYR  41   9.345   7.520   1.412
  308    HH   TYR  41           HH       TYR  41   9.967   9.689   2.571
  309    H    LYS  42           H        LYS  42   4.688   5.746  -3.805
  310    HA   LYS  42           HA       LYS  42   4.632   6.748  -6.445
  311    HB2  LYS  42           2HB      LYS  42   3.487   4.425  -5.023
  312    HB3  LYS  42           1HB      LYS  42   2.610   4.926  -6.459
  313    HG2  LYS  42           2HG      LYS  42   4.348   3.137  -6.776
  314    HG3  LYS  42           1HG      LYS  42   4.458   4.523  -7.857
  315    HD2  LYS  42           2HD      LYS  42   6.281   5.433  -6.595
  316    HD3  LYS  42           1HD      LYS  42   6.078   4.215  -5.335
  317    HE2  LYS  42           2HE      LYS  42   7.974   3.724  -6.834
  318    HE3  LYS  42           1HE      LYS  42   6.741   2.465  -6.861
  319    HZ1  LYS  42           3HZ      LYS  42   7.597   3.071  -9.079
  320    HZ2  LYS  42           1HZ      LYS  42   6.961   4.630  -8.886
  321    HZ3  LYS  42           2HZ      LYS  42   5.923   3.290  -8.939
  322    H    ILE  43           H        ILE  43   2.409   6.919  -3.776
  323    HA   ILE  43           HA       ILE  43   0.737   8.768  -5.335
  324    HB   ILE  43           HB       ILE  43  -0.037   7.268  -2.821
  325   HG12  ILE  43          2HG1      ILE  43  -0.753   6.800  -5.727
  326   HG13  ILE  43          1HG1      ILE  43   0.135   5.715  -4.669
  327   HG21  ILE  43          1HG2      ILE  43  -2.292   8.105  -3.295
  328   HG22  ILE  43          2HG2      ILE  43  -1.660   9.019  -4.665
  329   HG23  ILE  43          3HG2      ILE  43  -1.150   9.421  -3.025
  330   HD11  ILE  43          3HD1      ILE  43  -2.754   6.491  -4.379
  331   HD12  ILE  43          1HD1      ILE  43  -1.866   5.404  -3.312
  332   HD13  ILE  43          2HD1      ILE  43  -2.138   4.957  -4.997
  333    H    ARG  44           H        ARG  44   0.723  10.830  -4.723
  334    HA   ARG  44           HA       ARG  44   2.722  11.747  -2.951
  335    HB2  ARG  44           2HB      ARG  44   0.426  13.284  -4.176
  336    HB3  ARG  44           1HB      ARG  44   1.863  13.989  -3.450
  337    HG2  ARG  44           2HG      ARG  44   1.764  12.268  -5.918
  338    HG3  ARG  44           1HG      ARG  44   2.052  14.009  -5.852
  339    HD2  ARG  44           2HD      ARG  44   4.123  13.680  -4.686
  340    HD3  ARG  44           1HD      ARG  44   3.809  11.953  -4.528
  341    HE   ARG  44           HE       ARG  44   3.825  12.137  -7.148
  342   HH11  ARG  44          1HH1      ARG  44   5.938  13.717  -4.849
  343   HH12  ARG  44          2HH1      ARG  44   7.295  13.760  -5.936
  344   HH21  ARG  44          1HH2      ARG  44   5.600  12.155  -8.565
  345   HH22  ARG  44          2HH2      ARG  44   7.114  12.854  -8.057
  346    H    ASP  45           H        ASP  45  -0.709  11.229  -2.566
  347    HA   ASP  45           HA       ASP  45  -0.690  12.516   0.055
  348    HB2  ASP  45           2HB      ASP  45  -3.077  12.215   0.064
  349    HB3  ASP  45           1HB      ASP  45  -2.619  12.876  -1.502
  350    H    ASP  46           H        ASP  46  -1.368  11.495   1.872
  351    HA   ASP  46           HA       ASP  46  -0.967   8.542   1.965
  352    HB2  ASP  46           2HB      ASP  46   0.745  10.004   3.131
  353    HB3  ASP  46           1HB      ASP  46  -0.540  10.606   4.169
  354    H    THR  47           H        THR  47  -3.405   9.901   1.292
  355    HA   THR  47           HA       THR  47  -5.059   9.049   3.579
  356    HB   THR  47           HB       THR  47  -5.253  11.482   3.280
  357    HG1  THR  47           1HG      THR  47  -7.385   9.730   2.884
  358   HG21  THR  47          3HG2      THR  47  -4.746  11.630   0.891
  359   HG22  THR  47          1HG2      THR  47  -6.283  12.415   1.258
  360   HG23  THR  47          2HG2      THR  47  -6.264  10.817   0.512
  361    H    VAL  48           H        VAL  48  -4.284   8.789   0.279
  362    HA   VAL  48           HA       VAL  48  -6.578   7.068  -0.272
  363    HB   VAL  48           HB       VAL  48  -4.405   8.273  -1.991
  364   HG11  VAL  48          1HG1      VAL  48  -5.402   7.129  -3.931
  365   HG12  VAL  48          2HG1      VAL  48  -6.466   6.227  -2.852
  366   HG13  VAL  48          3HG1      VAL  48  -4.721   5.977  -2.783
  367   HG21  VAL  48          3HG2      VAL  48  -6.296   9.699  -1.463
  368   HG22  VAL  48          1HG2      VAL  48  -7.416   8.467  -2.043
  369   HG23  VAL  48          2HG2      VAL  48  -6.317   9.260  -3.170
  370    H    ARG  49           H        ARG  49  -3.226   6.993   0.534
  371    HA   ARG  49           HA       ARG  49  -2.369   4.539  -0.509
  372    HB2  ARG  49           2HB      ARG  49  -1.623   5.921   2.057
  373    HB3  ARG  49           1HB      ARG  49  -0.739   4.595   1.415
  374    HG2  ARG  49           2HG      ARG  49  -0.223   5.923  -0.582
  375    HG3  ARG  49           1HG      ARG  49  -1.079   7.267   0.174
  376    HD2  ARG  49           2HD      ARG  49   0.452   7.106   2.103
  377    HD3  ARG  49           1HD      ARG  49   1.350   5.867   1.236
  378    HE   ARG  49           HE       ARG  49   1.403   7.918  -0.494
  379   HH11  ARG  49          1HH1      ARG  49   1.993   7.796   2.948
  380   HH12  ARG  49          2HH1      ARG  49   3.276   8.971   2.898
  381   HH21  ARG  49          1HH2      ARG  49   3.074   9.480  -0.572
  382   HH22  ARG  49          2HH2      ARG  49   3.896   9.930   0.895
  383    H    GLU  50           H        GLU  50  -3.733   5.234   2.701
  384    HA   GLU  50           HA       GLU  50  -3.883   2.412   3.206
  385    HB2  GLU  50           2HB      GLU  50  -5.274   3.522   5.169
  386    HB3  GLU  50           1HB      GLU  50  -3.653   3.093   5.253
  387    HG2  GLU  50           2HG      GLU  50  -4.245   5.172   6.062
  388    HG3  GLU  50           1HG      GLU  50  -2.935   5.220   5.030
  389    H    SER  51           H        SER  51  -5.951   4.643   1.801
  390    HA   SER  51           HA       SER  51  -8.236   2.929   2.006
  391    HB2  SER  51           2HB      SER  51  -7.560   4.862  -0.240
  392    HB3  SER  51           1HB      SER  51  -9.155   4.204   0.134
  393    HG   SER  51           HG       SER  51  -7.746   6.256   1.357
  394    H    LEU  52           H        LEU  52  -5.276   2.455   0.646
  395    HA   LEU  52           HA       LEU  52  -5.950   1.150  -1.703
  396    HB2  LEU  52           2HB      LEU  52  -3.437   1.391  -0.241
  397    HB3  LEU  52           1HB      LEU  52  -3.501   0.606  -1.759
  398    HG   LEU  52           HG       LEU  52  -4.254   3.478  -1.235
  399   HD11  LEU  52          1HD1      LEU  52  -2.077   2.343  -2.935
  400   HD12  LEU  52          2HD1      LEU  52  -1.883   3.163  -1.385
  401   HD13  LEU  52          3HD1      LEU  52  -2.497   4.048  -2.783
  402   HD21  LEU  52          3HD2      LEU  52  -4.700   3.689  -3.620
  403   HD22  LEU  52          1HD2      LEU  52  -5.802   2.558  -2.833
  404   HD23  LEU  52          2HD2      LEU  52  -4.464   1.951  -3.811
  405    H    PHE  53           H        PHE  53  -5.006   0.298   1.106
  406    HA   PHE  53           HA       PHE  53  -4.221  -2.310   0.563
  407    HB2  PHE  53           2HB      PHE  53  -3.108  -1.367   2.196
  408    HB3  PHE  53           1HB      PHE  53  -4.177   0.038   1.824
  409    HD1  PHE  53           2HD      PHE  53  -3.704  -2.942   4.092
  410    HD2  PHE  53           1HD      PHE  53  -5.621   0.754   3.431
  411    HE1  PHE  53           2HE      PHE  53  -4.556  -3.009   6.399
  412    HE2  PHE  53           1HE      PHE  53  -6.494   0.727   5.752
  413    HZ   PHE  53           HZ       PHE  53  -5.961  -1.166   7.237
  414    H    GLU  54           H        GLU  54  -6.873  -0.620   2.097
  415    HA   GLU  54           HA       GLU  54  -8.405  -2.738   3.108
  416    HB2  GLU  54           2HB      GLU  54  -9.921  -0.622   1.691
  417    HB3  GLU  54           1HB      GLU  54 -10.129  -1.253   3.316
  418    HG2  GLU  54           2HG      GLU  54  -8.110   0.016   3.995
  419    HG3  GLU  54           1HG      GLU  54  -8.091   0.729   2.380
  420    H    GLU  55           H        GLU  55  -8.333  -1.342  -0.143
  421    HA   GLU  55           HA       GLU  55 -10.387  -3.016  -1.172
  422    HB2  GLU  55           2HB      GLU  55  -8.237  -1.612  -2.760
  423    HB3  GLU  55           1HB      GLU  55  -9.798  -2.162  -3.348
  424    HG2  GLU  55           2HG      GLU  55 -10.862  -0.539  -1.760
  425    HG3  GLU  55           1HG      GLU  55  -9.244   0.097  -1.452
  426    H    TRP  56           H        TRP  56  -6.827  -3.131  -1.530
  427    HA   TRP  56           HA       TRP  56  -6.808  -5.437  -3.125
  428    HB2  TRP  56           2HB      TRP  56  -4.937  -4.104  -3.244
  429    HB3  TRP  56           1HB      TRP  56  -4.738  -4.114  -1.514
  430    HD1  TRP  56           HD       TRP  56  -4.102  -6.639  -4.248
  431    HE1  TRP  56           1HE      TRP  56  -2.355  -8.328  -3.421
  432    HE3  TRP  56           3HE      TRP  56  -3.483  -4.313  -0.580
  433    HZ2  TRP  56           2HZ      TRP  56  -0.650  -8.251  -1.062
  434    HZ3  TRP  56           3HZ      TRP  56  -1.764  -4.712   0.504
  435    HH2  TRP  56           HH       TRP  56  -0.340  -6.665   0.699
  436    H    CYS  57           H        CYS  57  -7.176  -4.979   0.167
  437    HA   CYS  57           HA       CYS  57  -6.221  -7.412   1.257
  438    HB2  CYS  57           2HB      CYS  57  -6.634  -5.488   2.693
  439    HB3  CYS  57           1HB      CYS  57  -8.348  -5.517   2.291
  440    HG   CYS  57           HG       CYS  57  -8.131  -8.400   3.375
  441    H    GLY  58           H        GLY  58  -9.484  -6.290   0.388
  442    HA2  GLY  58           2HA      GLY  58 -10.387  -9.102   0.357
  443    HA3  GLY  58           1HA      GLY  58 -11.445  -7.700   0.506
  444    H    GLU  59           H        GLU  59  -8.743  -8.010  -1.648
  445    HA   GLU  59           HA       GLU  59 -10.379  -7.109  -3.846
  446    HB2  GLU  59           2HB      GLU  59  -7.861  -6.537  -3.004
  447    HB3  GLU  59           1HB      GLU  59  -7.515  -7.784  -4.224
  448    HG2  GLU  59           2HG      GLU  59  -8.971  -5.183  -4.663
  449    HG3  GLU  59           1HG      GLU  59  -7.356  -5.606  -5.226
  Start of MODEL    5
    1    H1   ASP   5           H        ASP   5  -4.471   7.623  -8.349
    2    HA   ASP   5           HA       ASP   5  -7.389   7.655  -8.567
    3    HB2  ASP   5           2HB      ASP   5  -5.960   8.946 -10.173
    4    HB3  ASP   5           1HB      ASP   5  -5.280   7.420 -10.723
    5    H    ILE   6           H        ILE   6  -8.284   5.981  -9.957
    6    HA   ILE   6           HA       ILE   6  -7.589   3.416  -8.945
    7    HB   ILE   6           HB       ILE   6  -9.264   2.511 -10.455
    8   HG12  ILE   6          2HG1      ILE   6  -9.995   5.396 -11.010
    9   HG13  ILE   6          1HG1      ILE   6  -9.178   4.342 -12.160
   10   HG21  ILE   6          1HG2      ILE   6  -9.785   3.028  -8.151
   11   HG22  ILE   6          2HG2      ILE   6 -11.184   3.380  -9.165
   12   HG23  ILE   6          3HG2      ILE   6 -10.163   4.695  -8.585
   13   HD11  ILE   6          3HD1      ILE   6 -11.935   3.912 -11.027
   14   HD12  ILE   6          1HD1      ILE   6 -11.115   2.862 -12.182
   15   HD13  ILE   6          2HD1      ILE   6 -11.552   4.505 -12.644
   16    H    ASP   7           H        ASP   7  -5.663   3.341  -9.566
   17    HA   ASP   7           HA       ASP   7  -4.954   1.944 -11.785
   18    HB2  ASP   7           2HB      ASP   7  -5.123   4.238 -12.789
   19    HB3  ASP   7           1HB      ASP   7  -3.721   4.596 -11.788
   20    H    GLU   8           H        GLU   8  -4.039   4.002 -10.016
   21    HA   GLU   8           HA       GLU   8  -1.430   3.189  -9.141
   22    HB2  GLU   8           2HB      GLU   8  -3.269   5.350  -8.129
   23    HB3  GLU   8           1HB      GLU   8  -1.682   5.036  -7.431
   24    HG2  GLU   8           2HG      GLU   8  -0.683   5.355  -9.599
   25    HG3  GLU   8           1HG      GLU   8  -2.253   5.765 -10.282
   26    H    ARG   9           H        ARG   9  -4.621   2.965  -7.859
   27    HA   ARG   9           HA       ARG   9  -4.046   2.154  -5.265
   28    HB2  ARG   9           2HB      ARG   9  -6.258   1.280  -5.147
   29    HB3  ARG   9           1HB      ARG   9  -6.327   2.655  -6.231
   30    HG2  ARG   9           2HG      ARG   9  -6.399   1.183  -8.152
   31    HG3  ARG   9           1HG      ARG   9  -6.236  -0.222  -7.106
   32    HD2  ARG   9           2HD      ARG   9  -8.353   0.482  -5.978
   33    HD3  ARG   9           1HD      ARG   9  -8.545   1.711  -7.224
   34    HE   ARG   9           HE       ARG   9  -8.884  -0.023  -8.819
   35   HH11  ARG   9          1HH1      ARG   9  -8.733  -1.103  -5.489
   36   HH12  ARG   9          2HH1      ARG   9  -9.415  -2.674  -5.825
   37   HH21  ARG   9          1HH2      ARG   9  -9.848  -2.048  -9.257
   38   HH22  ARG   9          2HH2      ARG   9 -10.098  -3.187  -7.966
   39    H    ASN  10           H        ASN  10  -4.412   0.133  -8.172
   40    HA   ASN  10           HA       ASN  10  -3.838  -2.326  -6.797
   41    HB2  ASN  10           2HB      ASN  10  -3.829  -1.611  -9.759
   42    HB3  ASN  10           1HB      ASN  10  -3.553  -3.239  -9.142
   43   HD21  ASN  10          1HD2      ASN  10  -5.876  -0.717  -9.626
   44   HD22  ASN  10          2HD2      ASN  10  -7.280  -1.640  -9.232
   45    H    ILE  11           H        ILE  11  -1.928   0.217  -8.074
   46    HA   ILE  11           HA       ILE  11   0.491  -1.168  -8.346
   47    HB   ILE  11           HB       ILE  11   0.023   1.687  -7.467
   48   HG12  ILE  11          2HG1      ILE  11   0.772   0.492 -10.144
   49   HG13  ILE  11          1HG1      ILE  11  -0.786   1.195  -9.721
   50   HG21  ILE  11          1HG2      ILE  11   2.380   2.077  -8.037
   51   HG22  ILE  11          2HG2      ILE  11   2.592   0.350  -8.320
   52   HG23  ILE  11          3HG2      ILE  11   2.208   0.937  -6.703
   53   HD11  ILE  11          3HD1      ILE  11   0.537   2.727 -11.056
   54   HD12  ILE  11          1HD1      ILE  11   1.835   2.668  -9.862
   55   HD13  ILE  11          2HD1      ILE  11   0.276   3.372  -9.436
   56    H    PHE  12           H        PHE  12  -1.025   0.375  -5.454
   57    HA   PHE  12           HA       PHE  12   1.257  -0.209  -3.845
   58    HB2  PHE  12           2HB      PHE  12  -1.500   0.807  -3.322
   59    HB3  PHE  12           1HB      PHE  12  -0.563   0.210  -1.955
   60    HD1  PHE  12           1HD      PHE  12   0.298   2.302  -4.993
   61    HD2  PHE  12           2HD      PHE  12   0.244   2.050  -0.701
   62    HE1  PHE  12           1HE      PHE  12   1.391   4.479  -4.818
   63    HE2  PHE  12           2HE      PHE  12   1.347   4.219  -0.575
   64    HZ   PHE  12           HZ       PHE  12   1.914   5.441  -2.622
   65    H    PHE  13           H        PHE  13  -2.038  -1.773  -3.744
   66    HA   PHE  13           HA       PHE  13  -1.880  -4.323  -2.378
   67    HB2  PHE  13           2HB      PHE  13  -2.256  -4.280  -5.049
   68    HB3  PHE  13           1HB      PHE  13  -3.137  -4.993  -3.946
   69    HD1  PHE  13           2HD      PHE  13  -3.348  -1.817  -2.826
   70    HD2  PHE  13           1HD      PHE  13  -4.617  -4.233  -6.090
   71    HE1  PHE  13           2HE      PHE  13  -5.373  -0.444  -3.072
   72    HE2  PHE  13           1HE      PHE  13  -6.644  -2.883  -6.310
   73    HZ   PHE  13           HZ       PHE  13  -7.028  -1.007  -4.800
   74    H    GLU  14           H        GLU  14  -0.471  -3.459  -5.645
   75    HA   GLU  14           HA       GLU  14   0.671  -6.008  -6.114
   76    HB2  GLU  14           2HB      GLU  14   0.273  -4.300  -7.870
   77    HB3  GLU  14           1HB      GLU  14   1.542  -3.321  -7.191
   78    HG2  GLU  14           2HG      GLU  14   2.321  -4.495  -9.155
   79    HG3  GLU  14           1HG      GLU  14   3.186  -5.026  -7.715
   80    H    LEU  15           H        LEU  15   2.073  -2.954  -5.161
   81    HA   LEU  15           HA       LEU  15   4.623  -3.884  -4.397
   82    HB2  LEU  15           2HB      LEU  15   3.221  -1.670  -2.930
   83    HB3  LEU  15           1HB      LEU  15   4.915  -1.811  -3.313
   84    HG   LEU  15           HG       LEU  15   2.682  -1.123  -5.166
   85   HD11  LEU  15          1HD1      LEU  15   5.082   0.446  -4.266
   86   HD12  LEU  15          2HD1      LEU  15   3.411   0.705  -3.767
   87   HD13  LEU  15          3HD1      LEU  15   3.883   0.983  -5.444
   88   HD21  LEU  15          3HD2      LEU  15   5.601  -1.535  -5.823
   89   HD22  LEU  15          1HD2      LEU  15   4.383  -0.894  -6.927
   90   HD23  LEU  15          2HD2      LEU  15   4.262  -2.556  -6.348
   91    H    PHE  16           H        PHE  16   1.433  -4.012  -2.906
   92    HA   PHE  16           HA       PHE  16   2.424  -4.243  -0.248
   93    HB2  PHE  16           2HB      PHE  16  -0.060  -4.201  -1.824
   94    HB3  PHE  16           1HB      PHE  16  -0.165  -4.754  -0.206
   95    HD1  PHE  16           2HD      PHE  16   2.069  -2.102   0.011
   96    HD2  PHE  16           1HD      PHE  16  -2.129  -2.850  -0.785
   97    HE1  PHE  16           2HE      PHE  16   1.467   0.161   0.768
   98    HE2  PHE  16           1HE      PHE  16  -2.632  -0.611  -0.036
   99    HZ   PHE  16           HZ       PHE  16  -0.899   0.889   0.729
  100    H    ASP  17           H        ASP  17   1.512  -6.218  -2.949
  101    HA   ASP  17           HA       ASP  17   1.530  -8.719  -1.528
  102    HB2  ASP  17           2HB      ASP  17   0.257  -8.307  -3.657
  103    HB3  ASP  17           1HB      ASP  17   1.794  -8.276  -4.497
  104    H    ARG  18           H        ARG  18   3.652  -6.995  -3.689
  105    HA   ARG  18           HA       ARG  18   5.741  -8.788  -3.932
  106    HB2  ARG  18           2HB      ARG  18   5.674  -6.714  -5.197
  107    HB3  ARG  18           1HB      ARG  18   5.864  -5.773  -3.724
  108    HG2  ARG  18           2HG      ARG  18   7.943  -5.921  -5.009
  109    HG3  ARG  18           1HG      ARG  18   8.097  -6.654  -3.409
  110    HD2  ARG  18           2HD      ARG  18   7.652  -8.867  -4.468
  111    HD3  ARG  18           1HD      ARG  18   7.714  -8.069  -6.032
  112    HE   ARG  18           HE       ARG  18  10.063  -7.442  -4.673
  113   HH11  ARG  18          1HH1      ARG  18   8.482 -10.254  -6.048
  114   HH12  ARG  18          2HH1      ARG  18   9.973 -11.086  -6.367
  115   HH21  ARG  18          1HH2      ARG  18  12.018  -8.539  -5.082
  116   HH22  ARG  18          2HH2      ARG  18  11.988 -10.111  -5.833
  117    H    TYR  19           H        TYR  19   4.902  -6.765  -1.192
  118    HA   TYR  19           HA       TYR  19   7.371  -7.660   0.147
  119    HB2  TYR  19           2HB      TYR  19   5.456  -5.490   1.031
  120    HB3  TYR  19           1HB      TYR  19   7.020  -5.865   1.743
  121    HD1  TYR  19           2HD      TYR  19   8.333  -6.263  -1.131
  122    HD2  TYR  19           1HD      TYR  19   6.048  -3.171   0.702
  123    HE1  TYR  19           2HE      TYR  19   9.401  -4.606  -2.596
  124    HE2  TYR  19           1HE      TYR  19   7.105  -1.514  -0.768
  125    HH   TYR  19           HH       TYR  19   9.060  -1.218  -2.080
  126    H    LYS  20           H        LYS  20   4.321  -8.534  -0.311
  127    HA   LYS  20           HA       LYS  20   2.655  -9.619   0.766
  128    HB2  LYS  20           2HB      LYS  20   4.591 -11.206   0.700
  129    HB3  LYS  20           1HB      LYS  20   4.849 -10.876   2.394
  130    HG2  LYS  20           2HG      LYS  20   2.254 -11.919   1.282
  131    HG3  LYS  20           1HG      LYS  20   3.552 -12.972   1.829
  132    HD2  LYS  20           2HD      LYS  20   2.321 -10.871   3.599
  133    HD3  LYS  20           1HD      LYS  20   1.661 -12.501   3.468
  134    HE2  LYS  20           2HE      LYS  20   3.052 -12.533   5.370
  135    HE3  LYS  20           1HE      LYS  20   3.972 -13.336   4.103
  136    HZ1  LYS  20           3HZ      LYS  20   4.313 -10.474   4.812
  137    HZ2  LYS  20           1HZ      LYS  20   5.318 -11.416   3.817
  138    HZ3  LYS  20           2HZ      LYS  20   5.245 -11.718   5.485
  139    H    LEU  21           H        LEU  21   1.835  -7.805   1.653
  140    HA   LEU  21           HA       LEU  21   2.619  -7.025   4.335
  141    HB2  LEU  21           2HB      LEU  21   0.452  -6.133   2.464
  142    HB3  LEU  21           1HB      LEU  21   0.596  -5.529   4.094
  143    HG   LEU  21           HG       LEU  21   1.469  -4.169   2.149
  144   HD11  LEU  21          1HD1      LEU  21   3.188  -4.666   4.555
  145   HD12  LEU  21          2HD1      LEU  21   1.835  -3.540   4.439
  146   HD13  LEU  21          3HD1      LEU  21   3.307  -3.251   3.509
  147   HD21  LEU  21          3HD2      LEU  21   3.825  -6.001   2.505
  148   HD22  LEU  21          1HD2      LEU  21   3.865  -4.462   1.644
  149   HD23  LEU  21          2HD2      LEU  21   2.875  -5.788   1.035
  150    H    ASP  22           H        ASP  22   1.143  -6.892   6.019
  151    HA   ASP  22           HA       ASP  22  -0.919  -8.960   6.012
  152    HB2  ASP  22           2HB      ASP  22   0.176  -7.176   8.202
  153    HB3  ASP  22           1HB      ASP  22  -1.125  -8.342   8.450
  154    H    LYS  23           H        LYS  23  -2.263  -8.178   4.680
  155    HA   LYS  23           HA       LYS  23  -2.836  -5.446   4.336
  156    HB2  LYS  23           2HB      LYS  23  -3.386  -7.731   2.930
  157    HB3  LYS  23           1HB      LYS  23  -4.977  -7.124   3.391
  158    HG2  LYS  23           2HG      LYS  23  -3.007  -6.000   1.500
  159    HG3  LYS  23           1HG      LYS  23  -4.773  -5.776   1.610
  160    HD2  LYS  23           2HD      LYS  23  -4.059  -3.662   2.110
  161    HD3  LYS  23           1HD      LYS  23  -4.059  -4.347   3.737
  162    HE2  LYS  23           2HE      LYS  23  -1.558  -4.955   2.506
  163    HE3  LYS  23           1HE      LYS  23  -1.883  -3.234   2.280
  164    HZ1  LYS  23           3HZ      LYS  23  -0.696  -3.593   4.318
  165    HZ2  LYS  23           1HZ      LYS  23  -1.858  -4.693   4.865
  166    HZ3  LYS  23           2HZ      LYS  23  -2.261  -3.062   4.681
  167    H    PHE  24           H        PHE  24  -4.332  -7.877   6.392
  168    HA   PHE  24           HA       PHE  24  -6.455  -5.964   7.078
  169    HB2  PHE  24           2HB      PHE  24  -7.732  -7.916   7.902
  170    HB3  PHE  24           1HB      PHE  24  -7.321  -8.045   6.196
  171    HD1  PHE  24           1HD      PHE  24  -5.617  -9.651   5.449
  172    HD2  PHE  24           2HD      PHE  24  -6.871  -9.461   9.512
  173    HE1  PHE  24           1HE      PHE  24  -4.640 -11.872   5.849
  174    HE2  PHE  24           2HE      PHE  24  -5.891 -11.681   9.920
  175    HZ   PHE  24           HZ       PHE  24  -4.774 -12.889   8.087
  176    H    SER  25           H        SER  25  -3.568  -6.523   8.240
  177    HA   SER  25           HA       SER  25  -4.216  -7.069  11.015
  178    HB2  SER  25           2HB      SER  25  -2.108  -7.911  10.166
  179    HB3  SER  25           1HB      SER  25  -1.618  -6.293   9.671
  180    HG   SER  25           HG       SER  25  -2.184  -6.998  12.367
  181    H    THR  26           H        THR  26  -2.230  -4.437   9.727
  182    HA   THR  26           HA       THR  26  -4.045  -2.387  10.751
  183    HB   THR  26           HB       THR  26  -1.647  -1.284  11.482
  184    HG1  THR  26           1HG      THR  26  -1.669  -4.029  12.338
  185   HG21  THR  26          3HG2      THR  26  -3.591  -2.772  13.280
  186   HG22  THR  26          1HG2      THR  26  -3.748  -1.106  12.725
  187   HG23  THR  26          2HG2      THR  26  -2.428  -1.555  13.806
  188    H    TRP  27           H        TRP  27  -3.666  -0.480   9.953
  189    HA   TRP  27           HA       TRP  27  -2.829  -0.556   7.234
  190    HB2  TRP  27           2HB      TRP  27  -4.385   1.147   7.673
  191    HB3  TRP  27           1HB      TRP  27  -3.544   1.659   9.134
  192    HD1  TRP  27           HD       TRP  27  -2.615   4.049   8.623
  193    HE1  TRP  27           1HE      TRP  27  -1.443   5.260   6.808
  194    HE3  TRP  27           3HE      TRP  27  -2.770   0.378   5.233
  195    HZ2  TRP  27           2HZ      TRP  27  -0.801   4.828   4.271
  196    HZ3  TRP  27           3HZ      TRP  27  -1.912   0.949   2.999
  197    HH2  TRP  27           HH       TRP  27  -1.075   3.190   2.642
  198    H    SER  28           H        SER  28  -1.459   0.968  10.130
  199    HA   SER  28           HA       SER  28   0.740   1.674   8.540
  200    HB2  SER  28           2HB      SER  28   1.741   2.338  10.569
  201    HB3  SER  28           1HB      SER  28   0.562   3.339   9.830
  202    HG   SER  28           HG       SER  28   0.209   3.171  12.116
  203    H    LEU  29           H        LEU  29   0.254  -0.962  10.752
  204    HA   LEU  29           HA       LEU  29   2.876  -1.631  11.312
  205    HB2  LEU  29           2HB      LEU  29   0.635  -2.968  11.674
  206    HB3  LEU  29           1HB      LEU  29   1.018  -3.684  10.126
  207    HG   LEU  29           HG       LEU  29   1.673  -5.067  12.088
  208   HD11  LEU  29          1HD1      LEU  29   2.769  -5.420   9.959
  209   HD12  LEU  29          2HD1      LEU  29   3.916  -5.634  11.282
  210   HD13  LEU  29          3HD1      LEU  29   3.938  -4.151  10.326
  211   HD21  LEU  29          3HD2      LEU  29   3.643  -4.418  13.382
  212   HD22  LEU  29          1HD2      LEU  29   2.316  -3.277  13.600
  213   HD23  LEU  29          2HD2      LEU  29   3.674  -2.860  12.554
  214    H    GLN  30           H        GLN  30   1.060  -1.511   8.457
  215    HA   GLN  30           HA       GLN  30   3.138  -2.618   6.743
  216    HB2  GLN  30           2HB      GLN  30   0.491  -1.398   5.957
  217    HB3  GLN  30           1HB      GLN  30   1.573  -2.324   4.927
  218    HG2  GLN  30           2HG      GLN  30  -0.341  -3.239   6.938
  219    HG3  GLN  30           1HG      GLN  30   0.106  -3.963   5.443
  220   HE21  GLN  30          1HE2      GLN  30  -0.208  -5.030   8.182
  221   HE22  GLN  30          2HE2      GLN  30   1.265  -5.878   8.506
  222    H    SER  31           H        SER  31   1.452   0.425   7.257
  223    HA   SER  31           HA       SER  31   2.987   1.773   5.342
  224    HB2  SER  31           2HB      SER  31   1.738   3.791   5.946
  225    HB3  SER  31           1HB      SER  31   0.792   2.445   5.348
  226    HG   SER  31           HG       SER  31  -0.051   3.516   7.237
  227    H    LYS  32           H        LYS  32   3.175   1.899   8.828
  228    HA   LYS  32           HA       LYS  32   5.090   4.003   8.854
  229    HB2  LYS  32           2HB      LYS  32   5.552   3.414  11.098
  230    HB3  LYS  32           1HB      LYS  32   3.854   3.023  10.884
  231    HG2  LYS  32           2HG      LYS  32   4.540   1.164  11.998
  232    HG3  LYS  32           1HG      LYS  32   4.833   0.627  10.345
  233    HD2  LYS  32           2HD      LYS  32   7.194   1.342  10.573
  234    HD3  LYS  32           1HD      LYS  32   6.872   1.771  12.253
  235    HE2  LYS  32           2HE      LYS  32   6.295  -0.546  12.745
  236    HE3  LYS  32           1HE      LYS  32   6.563  -0.979  11.056
  237    HZ1  LYS  32           3HZ      LYS  32   8.883  -0.329  11.307
  238    HZ2  LYS  32           1HZ      LYS  32   8.471  -1.551  12.406
  239    HZ3  LYS  32           2HZ      LYS  32   8.621   0.053  12.937
  240    H    LYS  33           H        LYS  33   4.989   1.078   7.491
  241    HA   LYS  33           HA       LYS  33   7.899   0.586   7.679
  242    HB2  LYS  33           2HB      LYS  33   6.607  -1.286   8.456
  243    HB3  LYS  33           1HB      LYS  33   5.629  -1.277   6.998
  244    HG2  LYS  33           2HG      LYS  33   7.473  -2.035   5.677
  245    HG3  LYS  33           1HG      LYS  33   8.585  -1.852   7.038
  246    HD2  LYS  33           2HD      LYS  33   7.928  -4.198   6.687
  247    HD3  LYS  33           1HD      LYS  33   7.409  -3.594   8.262
  248    HE2  LYS  33           2HE      LYS  33   5.172  -3.096   7.159
  249    HE3  LYS  33           1HE      LYS  33   5.745  -4.066   5.801
  250    HZ1  LYS  33           3HZ      LYS  33   4.388  -5.309   7.436
  251    HZ2  LYS  33           1HZ      LYS  33   5.595  -5.053   8.600
  252    HZ3  LYS  33           2HZ      LYS  33   5.929  -5.968   7.211
  253    H    ILE  34           H        ILE  34   5.212   0.606   5.288
  254    HA   ILE  34           HA       ILE  34   6.980   0.186   3.103
  255    HB   ILE  34           HB       ILE  34   5.169   0.478   1.607
  256   HG12  ILE  34          2HG1      ILE  34   3.114   1.347   3.627
  257   HG13  ILE  34          1HG1      ILE  34   4.244   2.551   3.019
  258   HG21  ILE  34          1HG2      ILE  34   5.137  -1.590   2.794
  259   HG22  ILE  34          2HG2      ILE  34   3.480  -1.057   2.513
  260   HG23  ILE  34          3HG2      ILE  34   4.208  -0.872   4.108
  261   HD11  ILE  34          3HD1      ILE  34   2.190   2.466   1.723
  262   HD12  ILE  34          1HD1      ILE  34   2.475   0.761   1.368
  263   HD13  ILE  34          2HD1      ILE  34   3.572   1.991   0.740
  264    H    GLU  35           H        GLU  35   6.253   2.958   4.899
  265    HA   GLU  35           HA       GLU  35   6.776   4.999   3.040
  266    HB2  GLU  35           2HB      GLU  35   7.650   6.281   5.044
  267    HB3  GLU  35           1HB      GLU  35   6.005   5.670   5.173
  268    HG2  GLU  35           2HG      GLU  35   6.617   3.988   6.644
  269    HG3  GLU  35           1HG      GLU  35   8.334   4.145   6.264
  270    H    ASN  36           H        ASN  36   8.898   2.688   4.494
  271    HA   ASN  36           HA       ASN  36  11.308   4.144   3.869
  272    HB2  ASN  36           2HB      ASN  36  11.408   2.668   5.755
  273    HB3  ASN  36           1HB      ASN  36  10.756   1.325   4.828
  274   HD21  ASN  36          1HD2      ASN  36  12.106   0.108   3.567
  275   HD22  ASN  36          2HD2      ASN  36  13.830   0.270   3.586
  276    H    ASP  37           H        ASP  37   9.130   2.198   2.229
  277    HA   ASP  37           HA       ASP  37  11.027   1.341   0.190
  278    HB2  ASP  37           2HB      ASP  37   8.064   0.818   0.548
  279    HB3  ASP  37           1HB      ASP  37   9.060   0.146  -0.747
  280    HA   PRO  38           HA       PRO  38   9.577   4.365  -2.846
  281    HB2  PRO  38           2HB      PRO  38   9.337   2.164  -4.793
  282    HB3  PRO  38           1HB      PRO  38  10.344   3.613  -4.858
  283    HG2  PRO  38           2HG      PRO  38  11.393   1.175  -4.435
  284    HG3  PRO  38           1HG      PRO  38  12.066   2.633  -3.684
  285    HD2  PRO  38           2HD      PRO  38  10.317   0.520  -2.489
  286    HD3  PRO  38           1HD      PRO  38  11.692   1.386  -1.773
  287    H    ASP  39           H        ASP  39   7.943   1.718  -1.663
  288    HA   ASP  39           HA       ASP  39   5.611   1.515  -3.209
  289    HB2  ASP  39           2HB      ASP  39   6.392  -0.137  -1.524
  290    HB3  ASP  39           1HB      ASP  39   6.029   1.009  -0.244
  291    H    PHE  40           H        PHE  40   6.249   3.302  -0.198
  292    HA   PHE  40           HA       PHE  40   3.669   4.501  -0.054
  293    HB2  PHE  40           2HB      PHE  40   5.961   4.402   1.535
  294    HB3  PHE  40           1HB      PHE  40   5.774   6.103   1.144
  295    HD1  PHE  40           2HD      PHE  40   2.756   4.006   1.444
  296    HD2  PHE  40           1HD      PHE  40   5.454   6.603   3.473
  297    HE1  PHE  40           2HE      PHE  40   1.195   4.187   3.289
  298    HE2  PHE  40           1HE      PHE  40   3.864   6.778   5.331
  299    HZ   PHE  40           HZ       PHE  40   1.754   5.535   5.223
  300    H    TYR  41           H        TYR  41   6.624   5.381  -1.660
  301    HA   TYR  41           HA       TYR  41   5.896   8.157  -1.933
  302    HB2  TYR  41           2HB      TYR  41   8.275   6.539  -2.802
  303    HB3  TYR  41           1HB      TYR  41   8.058   8.210  -3.306
  304    HD1  TYR  41           1HD      TYR  41   8.026  10.012  -1.602
  305    HD2  TYR  41           2HD      TYR  41   9.051   6.003  -0.579
  306    HE1  TYR  41           1HE      TYR  41   9.065  10.809   0.477
  307    HE2  TYR  41           2HE      TYR  41  10.082   6.797   1.496
  308    HH   TYR  41           HH       TYR  41  11.064   8.844   2.406
  309    H    LYS  42           H        LYS  42   4.780   5.545  -3.521
  310    HA   LYS  42           HA       LYS  42   4.939   6.466  -6.225
  311    HB2  LYS  42           2HB      LYS  42   3.057   4.495  -4.916
  312    HB3  LYS  42           1HB      LYS  42   3.100   4.815  -6.646
  313    HG2  LYS  42           2HG      LYS  42   5.362   3.705  -4.995
  314    HG3  LYS  42           1HG      LYS  42   4.318   2.786  -6.079
  315    HD2  LYS  42           2HD      LYS  42   5.130   4.098  -7.979
  316    HD3  LYS  42           1HD      LYS  42   6.159   5.037  -6.897
  317    HE2  LYS  42           2HE      LYS  42   7.333   2.948  -6.272
  318    HE3  LYS  42           1HE      LYS  42   6.358   2.081  -7.456
  319    HZ1  LYS  42           3HZ      LYS  42   7.287   3.499  -9.194
  320    HZ2  LYS  42           1HZ      LYS  42   8.512   2.659  -8.371
  321    HZ3  LYS  42           2HZ      LYS  42   8.240   4.303  -8.046
  322    H    ILE  43           H        ILE  43   2.695   6.888  -3.573
  323    HA   ILE  43           HA       ILE  43   1.314   8.951  -5.162
  324    HB   ILE  43           HB       ILE  43   0.023   7.257  -3.010
  325   HG12  ILE  43          2HG1      ILE  43  -0.321   7.120  -6.019
  326   HG13  ILE  43          1HG1      ILE  43   0.425   5.896  -5.008
  327   HG21  ILE  43          1HG2      ILE  43  -0.888   9.512  -3.177
  328   HG22  ILE  43          2HG2      ILE  43  -2.058   8.322  -3.746
  329   HG23  ILE  43          3HG2      ILE  43  -1.149   9.290  -4.907
  330   HD11  ILE  43          3HD1      ILE  43  -2.462   6.740  -4.941
  331   HD12  ILE  43          1HD1      ILE  43  -1.721   5.542  -3.878
  332   HD13  ILE  43          2HD1      ILE  43  -1.815   5.243  -5.615
  333    H    ARG  44           H        ARG  44   1.518  10.939  -4.297
  334    HA   ARG  44           HA       ARG  44   2.896  11.333  -1.839
  335    HB2  ARG  44           2HB      ARG  44   2.460  13.731  -2.194
  336    HB3  ARG  44           1HB      ARG  44   3.101  12.956  -3.634
  337    HG2  ARG  44           2HG      ARG  44   0.936  12.932  -4.660
  338    HG3  ARG  44           1HG      ARG  44   0.179  13.512  -3.177
  339    HD2  ARG  44           2HD      ARG  44   0.459  15.291  -4.855
  340    HD3  ARG  44           1HD      ARG  44   1.342  15.622  -3.365
  341    HE   ARG  44           HE       ARG  44   3.164  14.387  -4.997
  342   HH11  ARG  44          1HH1      ARG  44   1.123  17.219  -5.286
  343   HH12  ARG  44          2HH1      ARG  44   2.270  18.096  -6.252
  344   HH21  ARG  44          1HH2      ARG  44   4.649  15.511  -6.277
  345   HH22  ARG  44          2HH2      ARG  44   4.272  17.113  -6.842
  346    H    ASP  45           H        ASP  45  -0.490  11.277  -2.700
  347    HA   ASP  45           HA       ASP  45  -1.348  12.425  -0.209
  348    HB2  ASP  45           2HB      ASP  45  -2.815  11.213  -2.539
  349    HB3  ASP  45           1HB      ASP  45  -3.652  11.655  -1.055
  350    H    ASP  46           H        ASP  46  -0.968  11.322   1.537
  351    HA   ASP  46           HA       ASP  46  -0.830   8.498   1.755
  352    HB2  ASP  46           2HB      ASP  46   0.305  10.094   3.284
  353    HB3  ASP  46           1HB      ASP  46  -1.263  10.566   3.929
  354    H    THR  47           H        THR  47  -3.426  10.799   2.035
  355    HA   THR  47           HA       THR  47  -5.249   9.188   3.480
  356    HB   THR  47           HB       THR  47  -5.441  11.664   3.174
  357    HG1  THR  47           1HG      THR  47  -7.517   9.826   2.866
  358   HG21  THR  47          3HG2      THR  47  -6.459  10.910   0.430
  359   HG22  THR  47          1HG2      THR  47  -4.959  11.768   0.777
  360   HG23  THR  47          2HG2      THR  47  -6.509  12.521   1.145
  361    H    VAL  48           H        VAL  48  -4.015   8.763   0.413
  362    HA   VAL  48           HA       VAL  48  -6.379   7.250  -0.465
  363    HB   VAL  48           HB       VAL  48  -3.911   7.939  -2.075
  364   HG11  VAL  48          1HG1      VAL  48  -5.050   5.946  -2.871
  365   HG12  VAL  48          2HG1      VAL  48  -5.278   7.277  -4.004
  366   HG13  VAL  48          3HG1      VAL  48  -6.584   6.817  -2.909
  367   HG21  VAL  48          3HG2      VAL  48  -6.623   9.257  -2.081
  368   HG22  VAL  48          1HG2      VAL  48  -5.314   9.598  -3.213
  369   HG23  VAL  48          2HG2      VAL  48  -5.119   9.970  -1.499
  370    H    ARG  49           H        ARG  49  -3.038   7.041   0.453
  371    HA   ARG  49           HA       ARG  49  -2.273   4.553  -0.538
  372    HB2  ARG  49           2HB      ARG  49  -1.499   5.866   2.061
  373    HB3  ARG  49           1HB      ARG  49  -0.639   4.550   1.349
  374    HG2  ARG  49           2HG      ARG  49  -0.076   5.949  -0.568
  375    HG3  ARG  49           1HG      ARG  49  -0.967   7.280   0.175
  376    HD2  ARG  49           2HD      ARG  49   0.513   7.106   2.145
  377    HD3  ARG  49           1HD      ARG  49   1.447   5.886   1.293
  378    HE   ARG  49           HE       ARG  49   1.719   7.790  -0.432
  379   HH11  ARG  49          1HH1      ARG  49   1.591   8.186   3.059
  380   HH12  ARG  49          2HH1      ARG  49   2.648   9.568   3.049
  381   HH21  ARG  49          1HH2      ARG  49   3.089   9.586  -0.429
  382   HH22  ARG  49          2HH2      ARG  49   3.473  10.392   1.068
  383    H    GLU  50           H        GLU  50  -3.802   5.292   2.622
  384    HA   GLU  50           HA       GLU  50  -3.796   2.467   3.117
  385    HB2  GLU  50           2HB      GLU  50  -5.301   3.411   5.075
  386    HB3  GLU  50           1HB      GLU  50  -3.649   3.121   5.176
  387    HG2  GLU  50           2HG      GLU  50  -4.247   5.083   6.113
  388    HG3  GLU  50           1HG      GLU  50  -3.137   5.368   4.913
  389    H    SER  51           H        SER  51  -6.113   4.736   1.930
  390    HA   SER  51           HA       SER  51  -8.305   2.950   2.046
  391    HB2  SER  51           2HB      SER  51  -7.672   4.949  -0.154
  392    HB3  SER  51           1HB      SER  51  -9.250   4.228   0.169
  393    HG   SER  51           HG       SER  51  -8.468   5.246   2.449
  394    H    LEU  52           H        LEU  52  -5.376   2.530   0.595
  395    HA   LEU  52           HA       LEU  52  -6.082   1.243  -1.754
  396    HB2  LEU  52           2HB      LEU  52  -3.573   1.460  -0.271
  397    HB3  LEU  52           1HB      LEU  52  -3.638   0.676  -1.773
  398    HG   LEU  52           HG       LEU  52  -4.252   3.573  -1.245
  399   HD11  LEU  52          1HD1      LEU  52  -2.250   2.319  -3.083
  400   HD12  LEU  52          2HD1      LEU  52  -1.914   3.095  -1.536
  401   HD13  LEU  52          3HD1      LEU  52  -2.545   4.045  -2.880
  402   HD21  LEU  52          3HD2      LEU  52  -4.823   3.816  -3.614
  403   HD22  LEU  52          1HD2      LEU  52  -5.946   2.765  -2.750
  404   HD23  LEU  52          2HD2      LEU  52  -4.719   2.065  -3.806
  405    H    PHE  53           H        PHE  53  -5.019   0.404   1.008
  406    HA   PHE  53           HA       PHE  53  -4.181  -2.176   0.520
  407    HB2  PHE  53           2HB      PHE  53  -3.112  -1.059   2.069
  408    HB3  PHE  53           1HB      PHE  53  -4.339   0.218   1.799
  409    HD1  PHE  53           1HD      PHE  53  -6.299   0.113   3.296
  410    HD2  PHE  53           2HD      PHE  53  -2.842  -2.131   4.104
  411    HE1  PHE  53           1HE      PHE  53  -7.021  -0.102   5.663
  412    HE2  PHE  53           2HE      PHE  53  -3.512  -2.386   6.473
  413    HZ   PHE  53           HZ       PHE  53  -5.619  -1.362   7.254
  414    H    GLU  54           H        GLU  54  -6.922  -0.584   1.956
  415    HA   GLU  54           HA       GLU  54  -8.365  -2.728   3.038
  416    HB2  GLU  54           2HB      GLU  54  -9.937  -0.695   1.552
  417    HB3  GLU  54           1HB      GLU  54 -10.152  -1.301   3.185
  418    HG2  GLU  54           2HG      GLU  54  -8.220   0.042   3.904
  419    HG3  GLU  54           1HG      GLU  54  -8.116   0.689   2.264
  420    H    GLU  55           H        GLU  55  -8.412  -1.397  -0.244
  421    HA   GLU  55           HA       GLU  55 -10.378  -3.187  -1.230
  422    HB2  GLU  55           2HB      GLU  55  -8.254  -1.727  -2.801
  423    HB3  GLU  55           1HB      GLU  55  -9.736  -2.417  -3.447
  424    HG2  GLU  55           2HG      GLU  55 -11.028  -0.825  -2.070
  425    HG3  GLU  55           1HG      GLU  55  -9.508  -0.095  -1.547
  426    H    TRP  56           H        TRP  56  -6.817  -3.183  -1.557
  427    HA   TRP  56           HA       TRP  56  -6.685  -5.518  -3.088
  428    HB2  TRP  56           2HB      TRP  56  -4.869  -4.132  -3.210
  429    HB3  TRP  56           1HB      TRP  56  -4.688  -4.100  -1.476
  430    HD1  TRP  56           HD       TRP  56  -3.998  -6.662  -4.153
  431    HE1  TRP  56           1HE      TRP  56  -2.231  -8.312  -3.286
  432    HE3  TRP  56           3HE      TRP  56  -3.437  -4.233  -0.558
  433    HZ2  TRP  56           2HZ      TRP  56  -0.493  -8.119  -0.933
  434    HZ3  TRP  56           3HZ      TRP  56  -1.716  -4.549   0.541
  435    HH2  TRP  56           HH       TRP  56  -0.224  -6.453   0.781
  436    H    CYS  57           H        CYS  57  -7.118  -4.986   0.157
  437    HA   CYS  57           HA       CYS  57  -6.082  -7.317   1.380
  438    HB2  CYS  57           2HB      CYS  57  -6.716  -5.298   2.656
  439    HB3  CYS  57           1HB      CYS  57  -8.408  -5.591   2.271
  440    HG   CYS  57           HG       CYS  57  -8.742  -7.763   3.846
  441    H    GLY  58           H        GLY  58  -9.373  -6.418   0.353
  442    HA2  GLY  58           2HA      GLY  58 -10.071  -9.289   0.257
  443    HA3  GLY  58           1HA      GLY  58 -11.239  -7.972   0.406
  444    H    GLU  59           H        GLU  59  -8.444  -8.304  -1.692
  445    HA   GLU  59           HA       GLU  59 -10.130  -7.510  -3.938
  446    HB2  GLU  59           2HB      GLU  59  -7.958  -6.283  -3.103
  447    HB3  GLU  59           1HB      GLU  59  -7.131  -7.608  -3.945
  448    HG2  GLU  59           2HG      GLU  59  -7.336  -5.600  -5.347
  449    HG3  GLU  59           1HG      GLU  59  -8.111  -7.013  -6.055
  Start of MODEL    6
    1    H1   ASP   5           H        ASP   5  -5.692   7.072 -11.687
    2    HA   ASP   5           HA       ASP   5  -8.368   7.948 -10.955
    3    HB2  ASP   5           2HB      ASP   5  -7.765   9.088 -13.124
    4    HB3  ASP   5           1HB      ASP   5  -7.631   7.491 -13.853
    5    H    ILE   6           H        ILE   6  -8.035   6.033  -9.699
    6    HA   ILE   6           HA       ILE   6  -7.965   3.835  -9.192
    7    HB   ILE   6           HB       ILE   6  -9.752   2.438 -10.185
    8   HG12  ILE   6          2HG1      ILE   6 -10.439   4.924 -11.774
    9   HG13  ILE   6          1HG1      ILE   6  -9.843   3.412 -12.450
   10   HG21  ILE   6          1HG2      ILE   6 -10.551   5.178  -9.221
   11   HG22  ILE   6          2HG2      ILE   6 -10.147   3.783  -8.221
   12   HG23  ILE   6          3HG2      ILE   6 -11.594   3.755  -9.229
   13   HD11  ILE   6          3HD1      ILE   6 -11.858   2.273 -11.680
   14   HD12  ILE   6          1HD1      ILE   6 -12.244   3.629 -12.742
   15   HD13  ILE   6          2HD1      ILE   6 -12.453   3.788 -10.998
   16    H    ASP   7           H        ASP   7  -6.107   3.088  -9.591
   17    HA   ASP   7           HA       ASP   7  -5.366   1.218 -11.147
   18    HB2  ASP   7           2HB      ASP   7  -4.470   1.687 -13.265
   19    HB3  ASP   7           1HB      ASP   7  -5.969   2.602 -13.181
   20    H    GLU   8           H        GLU   8  -4.553   3.725 -10.044
   21    HA   GLU   8           HA       GLU   8  -1.751   3.393  -9.492
   22    HB2  GLU   8           2HB      GLU   8  -1.834   5.426  -8.256
   23    HB3  GLU   8           1HB      GLU   8  -2.903   5.664  -9.628
   24    HG2  GLU   8           2HG      GLU   8  -3.817   4.937  -6.851
   25    HG3  GLU   8           1HG      GLU   8  -3.770   6.575  -7.495
   26    H    ARG   9           H        ARG   9  -4.786   2.761  -8.041
   27    HA   ARG   9           HA       ARG   9  -4.093   2.091  -5.418
   28    HB2  ARG   9           2HB      ARG   9  -6.262   0.921  -5.448
   29    HB3  ARG   9           1HB      ARG   9  -6.380   2.433  -6.310
   30    HG2  ARG   9           2HG      ARG   9  -6.141   1.230  -8.435
   31    HG3  ARG   9           1HG      ARG   9  -6.109  -0.285  -7.544
   32    HD2  ARG   9           2HD      ARG   9  -8.399   1.631  -7.326
   33    HD3  ARG   9           1HD      ARG   9  -8.315   0.433  -8.603
   34    HE   ARG   9           HE       ARG   9  -8.057  -1.169  -6.570
   35   HH11  ARG   9          1HH1      ARG   9 -10.044   1.704  -6.673
   36   HH12  ARG   9          2HH1      ARG   9 -11.316   1.018  -5.703
   37   HH21  ARG   9          1HH2      ARG   9  -9.715  -2.094  -5.295
   38   HH22  ARG   9          2HH2      ARG   9 -11.111  -1.121  -4.880
   39    H    ASN  10           H        ASN  10  -4.345   0.037  -8.298
   40    HA   ASN  10           HA       ASN  10  -3.685  -2.388  -6.902
   41    HB2  ASN  10           2HB      ASN  10  -3.724  -1.728  -9.879
   42    HB3  ASN  10           1HB      ASN  10  -3.460  -3.344  -9.227
   43   HD21  ASN  10          1HD2      ASN  10  -5.765  -0.801  -9.738
   44   HD22  ASN  10          2HD2      ASN  10  -7.183  -1.689  -9.282
   45    H    ILE  11           H        ILE  11  -1.860   0.225  -8.018
   46    HA   ILE  11           HA       ILE  11   0.611  -1.090  -8.328
   47    HB   ILE  11           HB       ILE  11   0.020   1.720  -7.381
   48   HG12  ILE  11          2HG1      ILE  11   0.908   0.648 -10.071
   49   HG13  ILE  11          1HG1      ILE  11  -0.709   1.228  -9.682
   50   HG21  ILE  11          1HG2      ILE  11   2.374   2.205  -7.877
   51   HG22  ILE  11          2HG2      ILE  11   2.650   0.494  -8.207
   52   HG23  ILE  11          3HG2      ILE  11   2.206   1.019  -6.583
   53   HD11  ILE  11          3HD1      ILE  11   1.806   2.882  -9.683
   54   HD12  ILE  11          1HD1      ILE  11   0.189   3.464  -9.291
   55   HD13  ILE  11          2HD1      ILE  11   0.550   2.891 -10.920
   56    H    PHE  12           H        PHE  12  -1.045   0.310  -5.445
   57    HA   PHE  12           HA       PHE  12   1.248  -0.201  -3.811
   58    HB2  PHE  12           2HB      PHE  12  -1.449   0.913  -3.398
   59    HB3  PHE  12           1HB      PHE  12  -0.708   0.177  -1.982
   60    HD1  PHE  12           1HD      PHE  12   0.676   2.204  -4.808
   61    HD2  PHE  12           2HD      PHE  12   0.083   1.933  -0.577
   62    HE1  PHE  12           1HE      PHE  12   1.940   4.279  -4.482
   63    HE2  PHE  12           2HE      PHE  12   1.370   3.989  -0.275
   64    HZ   PHE  12           HZ       PHE  12   2.291   5.171  -2.221
   65    H    PHE  13           H        PHE  13  -2.020  -1.758  -3.722
   66    HA   PHE  13           HA       PHE  13  -1.880  -4.299  -2.357
   67    HB2  PHE  13           2HB      PHE  13  -2.264  -4.291  -5.023
   68    HB3  PHE  13           1HB      PHE  13  -3.173  -4.920  -3.893
   69    HD1  PHE  13           2HD      PHE  13  -3.340  -1.791  -2.775
   70    HD2  PHE  13           1HD      PHE  13  -4.546  -4.086  -6.150
   71    HE1  PHE  13           2HE      PHE  13  -5.310  -0.342  -3.076
   72    HE2  PHE  13           1HE      PHE  13  -6.520  -2.671  -6.418
   73    HZ   PHE  13           HZ       PHE  13  -6.908  -0.813  -4.890
   74    H    GLU  14           H        GLU  14  -0.380  -3.416  -5.589
   75    HA   GLU  14           HA       GLU  14   0.730  -6.021  -5.946
   76    HB2  GLU  14           2HB      GLU  14   0.342  -3.877  -7.604
   77    HB3  GLU  14           1HB      GLU  14   2.079  -3.807  -7.353
   78    HG2  GLU  14           2HG      GLU  14   0.539  -6.182  -8.379
   79    HG3  GLU  14           1HG      GLU  14   1.500  -5.074  -9.352
   80    H    LEU  15           H        LEU  15   2.115  -2.889  -5.035
   81    HA   LEU  15           HA       LEU  15   4.668  -3.795  -4.254
   82    HB2  LEU  15           2HB      LEU  15   3.211  -1.680  -2.702
   83    HB3  LEU  15           1HB      LEU  15   4.901  -1.751  -3.139
   84    HG   LEU  15           HG       LEU  15   2.650  -1.195  -5.034
   85   HD11  LEU  15          1HD1      LEU  15   3.457   1.105  -5.058
   86   HD12  LEU  15          2HD1      LEU  15   4.627   0.702  -3.801
   87   HD13  LEU  15          3HD1      LEU  15   2.898   0.620  -3.458
   88   HD21  LEU  15          3HD2      LEU  15   5.637  -1.030  -5.421
   89   HD22  LEU  15          1HD2      LEU  15   4.423  -0.532  -6.598
   90   HD23  LEU  15          2HD2      LEU  15   4.561  -2.228  -6.137
   91    H    PHE  16           H        PHE  16   1.439  -4.014  -2.848
   92    HA   PHE  16           HA       PHE  16   2.386  -4.283  -0.178
   93    HB2  PHE  16           2HB      PHE  16  -0.060  -4.211  -1.793
   94    HB3  PHE  16           1HB      PHE  16  -0.187  -4.794  -0.185
   95    HD1  PHE  16           2HD      PHE  16   2.067  -2.238   0.157
   96    HD2  PHE  16           1HD      PHE  16  -2.114  -2.840  -0.790
   97    HE1  PHE  16           2HE      PHE  16   1.508   0.019   0.969
   98    HE2  PHE  16           1HE      PHE  16  -2.588  -0.613   0.022
   99    HZ   PHE  16           HZ       PHE  16  -0.832   0.805   0.890
  100    H    ASP  17           H        ASP  17   1.512  -6.211  -2.906
  101    HA   ASP  17           HA       ASP  17   1.464  -8.732  -1.535
  102    HB2  ASP  17           2HB      ASP  17   0.208  -8.361  -3.624
  103    HB3  ASP  17           1HB      ASP  17   1.714  -8.102  -4.478
  104    H    ARG  18           H        ARG  18   3.618  -7.091  -3.731
  105    HA   ARG  18           HA       ARG  18   5.672  -8.971  -3.828
  106    HB2  ARG  18           2HB      ARG  18   5.390  -6.943  -5.279
  107    HB3  ARG  18           1HB      ARG  18   5.999  -5.974  -3.947
  108    HG2  ARG  18           2HG      ARG  18   8.126  -7.093  -4.039
  109    HG3  ARG  18           1HG      ARG  18   7.521  -8.204  -5.272
  110    HD2  ARG  18           2HD      ARG  18   7.894  -5.227  -5.533
  111    HD3  ARG  18           1HD      ARG  18   8.832  -6.489  -6.332
  112    HE   ARG  18           HE       ARG  18   5.947  -6.215  -6.847
  113   HH11  ARG  18          1HH1      ARG  18   9.248  -6.339  -7.979
  114   HH12  ARG  18          2HH1      ARG  18   8.811  -6.240  -9.660
  115   HH21  ARG  18          1HH2      ARG  18   5.348  -6.137  -9.040
  116   HH22  ARG  18          2HH2      ARG  18   6.591  -6.145 -10.262
  117    H    TYR  19           H        TYR  19   4.811  -6.719  -1.345
  118    HA   TYR  19           HA       TYR  19   7.315  -7.276   0.096
  119    HB2  TYR  19           2HB      TYR  19   5.201  -5.164   0.376
  120    HB3  TYR  19           1HB      TYR  19   6.239  -5.553   1.739
  121    HD1  TYR  19           1HD      TYR  19   8.145  -6.053  -1.155
  122    HD2  TYR  19           2HD      TYR  19   6.536  -2.953   1.273
  123    HE1  TYR  19           1HE      TYR  19   9.875  -4.510  -1.980
  124    HE2  TYR  19           2HE      TYR  19   8.252  -1.408   0.452
  125    HH   TYR  19           HH       TYR  19  10.445  -1.460  -0.501
  126    H    LYS  20           H        LYS  20   4.293  -8.471  -0.271
  127    HA   LYS  20           HA       LYS  20   2.870  -9.805   0.879
  128    HB2  LYS  20           2HB      LYS  20   5.381 -10.437   2.400
  129    HB3  LYS  20           1HB      LYS  20   3.900 -11.370   2.499
  130    HG2  LYS  20           2HG      LYS  20   4.093 -11.866   0.090
  131    HG3  LYS  20           1HG      LYS  20   5.632 -11.006   0.064
  132    HD2  LYS  20           2HD      LYS  20   6.134 -13.323   0.251
  133    HD3  LYS  20           1HD      LYS  20   6.443 -12.600   1.828
  134    HE2  LYS  20           2HE      LYS  20   3.853 -13.971   1.139
  135    HE3  LYS  20           1HE      LYS  20   5.233 -14.830   1.816
  136    HZ1  LYS  20           3HZ      LYS  20   3.680 -12.640   3.093
  137    HZ2  LYS  20           1HZ      LYS  20   5.135 -13.253   3.719
  138    HZ3  LYS  20           2HZ      LYS  20   3.780 -14.258   3.584
  139    H    LEU  21           H        LEU  21   1.965  -7.688   1.651
  140    HA   LEU  21           HA       LEU  21   2.550  -6.949   4.388
  141    HB2  LEU  21           2HB      LEU  21   0.421  -6.116   2.435
  142    HB3  LEU  21           1HB      LEU  21   0.535  -5.488   4.057
  143    HG   LEU  21           HG       LEU  21   1.424  -4.154   2.055
  144   HD11  LEU  21          1HD1      LEU  21   3.136  -3.103   3.465
  145   HD12  LEU  21          2HD1      LEU  21   3.036  -4.478   4.566
  146   HD13  LEU  21          3HD1      LEU  21   1.641  -3.423   4.341
  147   HD21  LEU  21          3HD2      LEU  21   3.823  -4.393   1.662
  148   HD22  LEU  21          1HD2      LEU  21   2.920  -5.802   1.112
  149   HD23  LEU  21          2HD2      LEU  21   3.821  -5.870   2.626
  150    H    ASP  22           H        ASP  22   0.946  -6.824   5.951
  151    HA   ASP  22           HA       ASP  22  -1.001  -9.009   5.848
  152    HB2  ASP  22           2HB      ASP  22  -0.057  -7.272   8.148
  153    HB3  ASP  22           1HB      ASP  22  -1.299  -8.522   8.286
  154    H    LYS  23           H        LYS  23  -2.438  -8.288   4.595
  155    HA   LYS  23           HA       LYS  23  -3.009  -5.535   4.295
  156    HB2  LYS  23           2HB      LYS  23  -3.484  -7.799   2.815
  157    HB3  LYS  23           1HB      LYS  23  -5.092  -7.204   3.229
  158    HG2  LYS  23           2HG      LYS  23  -3.063  -6.046   1.438
  159    HG3  LYS  23           1HG      LYS  23  -4.826  -5.801   1.507
  160    HD2  LYS  23           2HD      LYS  23  -4.104  -3.715   2.086
  161    HD3  LYS  23           1HD      LYS  23  -4.167  -4.452   3.687
  162    HE2  LYS  23           2HE      LYS  23  -1.624  -5.029   2.518
  163    HE3  LYS  23           1HE      LYS  23  -1.934  -3.299   2.351
  164    HZ1  LYS  23           3HZ      LYS  23  -2.417  -3.245   4.764
  165    HZ2  LYS  23           1HZ      LYS  23  -0.823  -3.693   4.411
  166    HZ3  LYS  23           2HZ      LYS  23  -1.951  -4.866   4.877
  167    H    PHE  24           H        PHE  24  -4.515  -8.066   6.208
  168    HA   PHE  24           HA       PHE  24  -6.679  -6.220   6.954
  169    HB2  PHE  24           2HB      PHE  24  -7.823  -8.302   7.816
  170    HB3  PHE  24           1HB      PHE  24  -7.595  -8.233   6.073
  171    HD1  PHE  24           2HD      PHE  24  -6.549  -9.866   9.182
  172    HD2  PHE  24           1HD      PHE  24  -6.121  -9.765   4.951
  173    HE1  PHE  24           2HE      PHE  24  -5.445 -12.063   9.247
  174    HE2  PHE  24           1HE      PHE  24  -5.016 -11.962   5.007
  175    HZ   PHE  24           HZ       PHE  24  -4.676 -13.113   7.156
  176    H    SER  25           H        SER  25  -3.829  -6.521   8.042
  177    HA   SER  25           HA       SER  25  -4.402  -7.214  10.821
  178    HB2  SER  25           2HB      SER  25  -1.868  -6.791   9.252
  179    HB3  SER  25           1HB      SER  25  -1.845  -6.933  11.001
  180    HG   SER  25           HG       SER  25  -2.200  -9.008  10.845
  181    H    THR  26           H        THR  26  -2.145  -4.785   9.611
  182    HA   THR  26           HA       THR  26  -3.684  -2.611  10.924
  183    HB   THR  26           HB       THR  26  -1.165  -1.655  11.162
  184    HG1  THR  26           1HG      THR  26  -0.199  -3.615  10.476
  185   HG21  THR  26          3HG2      THR  26  -2.841  -1.743  12.961
  186   HG22  THR  26          1HG2      THR  26  -1.264  -2.281  13.541
  187   HG23  THR  26          2HG2      THR  26  -2.525  -3.464  13.191
  188    H    TRP  27           H        TRP  27  -3.375  -0.679  10.101
  189    HA   TRP  27           HA       TRP  27  -2.697  -0.636   7.300
  190    HB2  TRP  27           2HB      TRP  27  -4.211   1.076   7.930
  191    HB3  TRP  27           1HB      TRP  27  -3.235   1.537   9.321
  192    HD1  TRP  27           HD       TRP  27  -2.394   3.940   8.742
  193    HE1  TRP  27           1HE      TRP  27  -1.298   5.152   6.876
  194    HE3  TRP  27           3HE      TRP  27  -2.696   0.260   5.376
  195    HZ2  TRP  27           2HZ      TRP  27  -0.767   4.702   4.264
  196    HZ3  TRP  27           3HZ      TRP  27  -1.976   0.823   3.088
  197    HH2  TRP  27           HH       TRP  27  -1.175   3.069   2.659
  198    H    SER  28           H        SER  28  -1.184   0.590  10.289
  199    HA   SER  28           HA       SER  28   0.894   1.482   8.618
  200    HB2  SER  28           2HB      SER  28   2.016   2.202  10.513
  201    HB3  SER  28           1HB      SER  28   0.645   3.078   9.966
  202    HG   SER  28           HG       SER  28  -0.549   1.839  11.654
  203    H    LEU  29           H        LEU  29   0.887  -1.167  10.971
  204    HA   LEU  29           HA       LEU  29   3.650  -1.478  11.035
  205    HB2  LEU  29           2HB      LEU  29   1.409  -3.465  11.033
  206    HB3  LEU  29           1HB      LEU  29   3.054  -4.044  10.868
  207    HG   LEU  29           HG       LEU  29   2.337  -4.183  13.182
  208   HD11  LEU  29          1HD1      LEU  29   4.682  -3.726  12.748
  209   HD12  LEU  29          2HD1      LEU  29   4.155  -2.924  14.227
  210   HD13  LEU  29          3HD1      LEU  29   4.359  -1.993  12.742
  211   HD21  LEU  29          3HD2      LEU  29   1.938  -1.197  13.023
  212   HD22  LEU  29          1HD2      LEU  29   1.829  -2.178  14.484
  213   HD23  LEU  29          2HD2      LEU  29   0.665  -2.406  13.180
  214    H    GLN  30           H        GLN  30   1.366  -1.751   8.626
  215    HA   GLN  30           HA       GLN  30   3.112  -2.838   6.589
  216    HB2  GLN  30           2HB      GLN  30   0.229  -1.885   6.505
  217    HB3  GLN  30           1HB      GLN  30   1.101  -2.528   5.098
  218    HG2  GLN  30           2HG      GLN  30  -0.355  -4.206   6.161
  219    HG3  GLN  30           1HG      GLN  30   1.328  -4.679   6.160
  220   HE21  GLN  30          1HE2      GLN  30   1.301  -6.085   7.827
  221   HE22  GLN  30          2HE2      GLN  30   0.934  -5.648   9.454
  222    H    SER  31           H        SER  31   1.448   0.266   7.217
  223    HA   SER  31           HA       SER  31   2.831   1.620   5.206
  224    HB2  SER  31           2HB      SER  31   1.940   3.732   6.374
  225    HB3  SER  31           1HB      SER  31   0.902   2.705   5.386
  226    HG   SER  31           HG       SER  31  -0.115   3.097   7.308
  227    H    LYS  32           H        LYS  32   3.267   2.015   8.698
  228    HA   LYS  32           HA       LYS  32   5.524   3.692   8.369
  229    HB2  LYS  32           2HB      LYS  32   6.113   3.245  10.646
  230    HB3  LYS  32           1HB      LYS  32   4.367   3.401  10.562
  231    HG2  LYS  32           2HG      LYS  32   4.092   1.030  10.751
  232    HG3  LYS  32           1HG      LYS  32   5.834   0.779  10.643
  233    HD2  LYS  32           2HD      LYS  32   5.033   0.614  12.957
  234    HD3  LYS  32           1HD      LYS  32   6.159   1.954  12.748
  235    HE2  LYS  32           2HE      LYS  32   3.206   2.412  12.551
  236    HE3  LYS  32           1HE      LYS  32   3.980   2.295  14.129
  237    HZ1  LYS  32           3HZ      LYS  32   5.434   4.129  13.516
  238    HZ2  LYS  32           1HZ      LYS  32   3.806   4.592  13.395
  239    HZ3  LYS  32           2HZ      LYS  32   4.698   4.245  11.995
  240    H    LYS  33           H        LYS  33   4.892   0.611   7.514
  241    HA   LYS  33           HA       LYS  33   7.646  -0.393   7.627
  242    HB2  LYS  33           2HB      LYS  33   5.833  -2.012   7.838
  243    HB3  LYS  33           1HB      LYS  33   5.151  -1.489   6.310
  244    HG2  LYS  33           2HG      LYS  33   6.206  -3.338   5.569
  245    HG3  LYS  33           1HG      LYS  33   7.573  -2.229   5.453
  246    HD2  LYS  33           2HD      LYS  33   6.975  -4.060   7.778
  247    HD3  LYS  33           1HD      LYS  33   8.211  -4.324   6.545
  248    HE2  LYS  33           2HE      LYS  33   8.105  -1.885   8.283
  249    HE3  LYS  33           1HE      LYS  33   9.006  -3.338   8.731
  250    HZ1  LYS  33           3HZ      LYS  33  10.466  -3.074   6.945
  251    HZ2  LYS  33           1HZ      LYS  33  10.277  -1.498   7.540
  252    HZ3  LYS  33           2HZ      LYS  33   9.458  -1.976   6.134
  253    H    ILE  34           H        ILE  34   5.268   0.547   5.159
  254    HA   ILE  34           HA       ILE  34   7.273   0.305   3.105
  255    HB   ILE  34           HB       ILE  34   5.523   0.688   1.500
  256   HG12  ILE  34          2HG1      ILE  34   3.350   0.876   3.606
  257   HG13  ILE  34          1HG1      ILE  34   4.212   2.318   3.099
  258   HG21  ILE  34          1HG2      ILE  34   4.105  -1.244   2.005
  259   HG22  ILE  34          2HG2      ILE  34   4.710  -1.235   3.660
  260   HG23  ILE  34          3HG2      ILE  34   5.813  -1.545   2.319
  261   HD11  ILE  34          3HD1      ILE  34   2.165   1.951   1.834
  262   HD12  ILE  34          1HD1      ILE  34   2.760   0.374   1.315
  263   HD13  ILE  34          2HD1      ILE  34   3.578   1.846   0.784
  264    H    GLU  35           H        GLU  35   6.184   2.852   5.078
  265    HA   GLU  35           HA       GLU  35   6.499   5.031   3.341
  266    HB2  GLU  35           2HB      GLU  35   7.113   6.363   5.402
  267    HB3  GLU  35           1HB      GLU  35   5.559   5.547   5.426
  268    HG2  GLU  35           2HG      GLU  35   6.351   3.881   6.874
  269    HG3  GLU  35           1HG      GLU  35   8.030   4.410   6.692
  270    H    ASN  36           H        ASN  36   8.918   3.038   4.820
  271    HA   ASN  36           HA       ASN  36  11.025   4.931   4.135
  272    HB2  ASN  36           2HB      ASN  36  11.351   2.125   5.225
  273    HB3  ASN  36           1HB      ASN  36  12.547   3.416   5.232
  274   HD21  ASN  36          1HD2      ASN  36  12.328   5.110   6.725
  275   HD22  ASN  36          2HD2      ASN  36  11.307   4.971   8.112
  276    H    ASP  37           H        ASP  37   9.205   3.267   2.289
  277    HA   ASP  37           HA       ASP  37  11.360   2.240   0.569
  278    HB2  ASP  37           2HB      ASP  37   8.498   1.295   0.874
  279    HB3  ASP  37           1HB      ASP  37   9.557   0.789  -0.444
  280    HA   PRO  38           HA       PRO  38  10.006   5.127  -2.501
  281    HB2  PRO  38           2HB      PRO  38  10.464   3.759  -4.795
  282    HB3  PRO  38           1HB      PRO  38  11.765   4.426  -3.805
  283    HG2  PRO  38           2HG      PRO  38  10.725   1.623  -3.928
  284    HG3  PRO  38           1HG      PRO  38  12.405   2.193  -3.866
  285    HD2  PRO  38           2HD      PRO  38  11.091   1.263  -1.685
  286    HD3  PRO  38           1HD      PRO  38  12.340   2.521  -1.586
  287    H    ASP  39           H        ASP  39   8.358   2.338  -1.792
  288    HA   ASP  39           HA       ASP  39   6.501   2.371  -3.991
  289    HB2  ASP  39           2HB      ASP  39   5.552   0.440  -3.072
  290    HB3  ASP  39           1HB      ASP  39   7.252   0.308  -2.653
  291    H    PHE  40           H        PHE  40   6.294   3.130  -0.478
  292    HA   PHE  40           HA       PHE  40   3.693   4.173  -0.420
  293    HB2  PHE  40           2HB      PHE  40   5.795   4.035   1.337
  294    HB3  PHE  40           1HB      PHE  40   5.679   5.761   1.058
  295    HD1  PHE  40           1HD      PHE  40   2.526   3.788   1.063
  296    HD2  PHE  40           2HD      PHE  40   5.270   6.056   3.390
  297    HE1  PHE  40           1HE      PHE  40   0.940   3.835   2.886
  298    HE2  PHE  40           2HE      PHE  40   3.651   6.105   5.220
  299    HZ   PHE  40           HZ       PHE  40   1.515   4.946   4.966
  300    H    TYR  41           H        TYR  41   6.654   5.569  -1.618
  301    HA   TYR  41           HA       TYR  41   5.730   8.263  -1.781
  302    HB2  TYR  41           2HB      TYR  41   8.142   6.811  -2.825
  303    HB3  TYR  41           1HB      TYR  41   7.818   8.473  -3.297
  304    HD1  TYR  41           1HD      TYR  41   8.483   6.289  -0.346
  305    HD2  TYR  41           2HD      TYR  41   8.366  10.259  -1.887
  306    HE1  TYR  41           1HE      TYR  41   9.612   7.104   1.674
  307    HE2  TYR  41           2HE      TYR  41   9.490  11.079   0.137
  308    HH   TYR  41           HH       TYR  41  10.859   8.912   2.479
  309    H    LYS  42           H        LYS  42   4.824   5.643  -3.588
  310    HA   LYS  42           HA       LYS  42   4.885   6.756  -6.213
  311    HB2  LYS  42           2HB      LYS  42   3.347   4.485  -4.976
  312    HB3  LYS  42           1HB      LYS  42   3.097   4.965  -6.649
  313    HG2  LYS  42           2HG      LYS  42   5.752   4.157  -5.485
  314    HG3  LYS  42           1HG      LYS  42   4.676   3.081  -6.381
  315    HD2  LYS  42           2HD      LYS  42   4.911   4.363  -8.366
  316    HD3  LYS  42           1HD      LYS  42   5.713   5.675  -7.504
  317    HE2  LYS  42           2HE      LYS  42   6.834   2.895  -7.770
  318    HE3  LYS  42           1HE      LYS  42   7.232   4.224  -8.856
  319    HZ1  LYS  42           3HZ      LYS  42   8.896   3.981  -7.128
  320    HZ2  LYS  42           1HZ      LYS  42   7.717   4.184  -5.923
  321    HZ3  LYS  42           2HZ      LYS  42   8.089   5.465  -6.967
  322    H    ILE  43           H        ILE  43   2.775   7.093  -3.504
  323    HA   ILE  43           HA       ILE  43   1.142   8.948  -5.106
  324    HB   ILE  43           HB       ILE  43   0.169   7.393  -2.695
  325   HG12  ILE  43          2HG1      ILE  43  -0.426   6.977  -5.637
  326   HG13  ILE  43          1HG1      ILE  43   0.476   5.885  -4.597
  327   HG21  ILE  43          1HG2      ILE  43  -1.287   9.192  -4.628
  328   HG22  ILE  43          2HG2      ILE  43  -0.894   9.562  -2.949
  329   HG23  ILE  43          3HG2      ILE  43  -2.031   8.269  -3.324
  330   HD11  ILE  43          3HD1      ILE  43  -1.783   5.087  -4.970
  331   HD12  ILE  43          1HD1      ILE  43  -2.435   6.587  -4.307
  332   HD13  ILE  43          2HD1      ILE  43  -1.527   5.485  -3.271
  333    H    ARG  44           H        ARG  44   1.111  11.011  -4.354
  334    HA   ARG  44           HA       ARG  44   2.946  11.845  -2.385
  335    HB2  ARG  44           2HB      ARG  44   0.528  13.413  -3.284
  336    HB3  ARG  44           1HB      ARG  44   2.031  14.048  -2.635
  337    HG2  ARG  44           2HG      ARG  44   3.148  13.104  -4.681
  338    HG3  ARG  44           1HG      ARG  44   1.532  12.846  -5.334
  339    HD2  ARG  44           2HD      ARG  44   1.058  15.260  -4.882
  340    HD3  ARG  44           1HD      ARG  44   2.757  15.461  -4.471
  341    HE   ARG  44           HE       ARG  44   3.132  14.632  -6.864
  342   HH11  ARG  44          1HH1      ARG  44   0.389  16.519  -5.796
  343   HH12  ARG  44          2HH1      ARG  44   0.120  17.256  -7.352
  344   HH21  ARG  44          1HH2      ARG  44   2.830  15.644  -8.903
  345   HH22  ARG  44          2HH2      ARG  44   1.508  16.760  -9.108
  346    H    ASP  45           H        ASP  45  -0.562  11.925  -2.390
  347    HA   ASP  45           HA       ASP  45  -0.742  12.545   0.392
  348    HB2  ASP  45           2HB      ASP  45  -3.227  12.123  -0.018
  349    HB3  ASP  45           1HB      ASP  45  -2.475  13.427  -0.932
  350    H    ASP  46           H        ASP  46  -1.267  11.325   2.074
  351    HA   ASP  46           HA       ASP  46  -0.821   8.441   1.827
  352    HB2  ASP  46           2HB      ASP  46   0.365   9.867   3.524
  353    HB3  ASP  46           1HB      ASP  46  -1.186  10.168   4.295
  354    H    THR  47           H        THR  47  -3.383  10.650   2.075
  355    HA   THR  47           HA       THR  47  -5.216   9.262   3.697
  356    HB   THR  47           HB       THR  47  -6.064  11.054   1.442
  357    HG1  THR  47           1HG      THR  47  -4.603  11.733   3.791
  358   HG21  THR  47          3HG2      THR  47  -6.993  10.745   4.299
  359   HG22  THR  47          1HG2      THR  47  -7.794  10.083   2.873
  360   HG23  THR  47          2HG2      THR  47  -7.693  11.829   3.098
  361    H    VAL  48           H        VAL  48  -4.251   8.787   0.419
  362    HA   VAL  48           HA       VAL  48  -6.567   7.069  -0.085
  363    HB   VAL  48           HB       VAL  48  -4.430   8.102  -1.963
  364   HG11  VAL  48          1HG1      VAL  48  -5.749   7.102  -3.775
  365   HG12  VAL  48          2HG1      VAL  48  -6.827   6.370  -2.586
  366   HG13  VAL  48          3HG1      VAL  48  -5.138   5.869  -2.671
  367   HG21  VAL  48          3HG2      VAL  48  -7.375   8.709  -1.725
  368   HG22  VAL  48          1HG2      VAL  48  -6.295   9.342  -2.967
  369   HG23  VAL  48          2HG2      VAL  48  -6.048   9.779  -1.276
  370    H    ARG  49           H        ARG  49  -3.273   6.954   0.803
  371    HA   ARG  49           HA       ARG  49  -2.451   4.531  -0.395
  372    HB2  ARG  49           2HB      ARG  49  -1.543   5.791   2.184
  373    HB3  ARG  49           1HB      ARG  49  -0.724   4.490   1.391
  374    HG2  ARG  49           2HG      ARG  49  -0.270   5.915  -0.523
  375    HG3  ARG  49           1HG      ARG  49  -1.128   7.226   0.283
  376    HD2  ARG  49           2HD      ARG  49   0.457   7.048   2.167
  377    HD3  ARG  49           1HD      ARG  49   1.346   5.837   1.258
  378    HE   ARG  49           HE       ARG  49   1.419   7.875  -0.441
  379   HH11  ARG  49          1HH1      ARG  49   1.836   7.878   3.037
  380   HH12  ARG  49          2HH1      ARG  49   3.083   9.095   3.006
  381   HH21  ARG  49          1HH2      ARG  49   3.044   9.478  -0.478
  382   HH22  ARG  49          2HH2      ARG  49   3.763  10.012   1.018
  383    H    GLU  50           H        GLU  50  -3.778   5.167   2.863
  384    HA   GLU  50           HA       GLU  50  -3.865   2.327   3.295
  385    HB2  GLU  50           2HB      GLU  50  -5.249   3.293   5.325
  386    HB3  GLU  50           1HB      GLU  50  -3.588   2.998   5.354
  387    HG2  GLU  50           2HG      GLU  50  -4.163   4.966   6.287
  388    HG3  GLU  50           1HG      GLU  50  -3.087   5.239   5.056
  389    H    SER  51           H        SER  51  -5.991   4.648   2.072
  390    HA   SER  51           HA       SER  51  -8.272   2.939   2.147
  391    HB2  SER  51           2HB      SER  51  -7.529   4.975   0.018
  392    HB3  SER  51           1HB      SER  51  -9.138   4.305   0.299
  393    HG   SER  51           HG       SER  51  -7.694   6.197   1.789
  394    H    LEU  52           H        LEU  52  -5.300   2.482   0.749
  395    HA   LEU  52           HA       LEU  52  -6.020   1.247  -1.638
  396    HB2  LEU  52           2HB      LEU  52  -3.503   1.472  -0.176
  397    HB3  LEU  52           1HB      LEU  52  -3.567   0.597  -1.635
  398    HG   LEU  52           HG       LEU  52  -4.350   3.499  -1.348
  399   HD11  LEU  52          1HD1      LEU  52  -1.962   3.225  -1.210
  400   HD12  LEU  52          2HD1      LEU  52  -2.436   4.024  -2.711
  401   HD13  LEU  52          3HD1      LEU  52  -1.972   2.323  -2.724
  402   HD21  LEU  52          3HD2      LEU  52  -4.531   3.535  -3.777
  403   HD22  LEU  52          1HD2      LEU  52  -5.683   2.419  -3.043
  404   HD23  LEU  52          2HD2      LEU  52  -4.226   1.799  -3.820
  405    H    PHE  53           H        PHE  53  -4.958   0.371   1.103
  406    HA   PHE  53           HA       PHE  53  -4.161  -2.214   0.633
  407    HB2  PHE  53           2HB      PHE  53  -3.105  -1.114   2.203
  408    HB3  PHE  53           1HB      PHE  53  -4.322   0.176   1.922
  409    HD1  PHE  53           1HD      PHE  53  -6.225   0.223   3.427
  410    HD2  PHE  53           2HD      PHE  53  -2.987  -2.344   4.200
  411    HE1  PHE  53           1HE      PHE  53  -6.987   0.006   5.780
  412    HE2  PHE  53           2HE      PHE  53  -3.703  -2.599   6.549
  413    HZ   PHE  53           HZ       PHE  53  -5.715  -1.415   7.346
  414    H    GLU  54           H        GLU  54  -6.905  -0.603   2.102
  415    HA   GLU  54           HA       GLU  54  -8.396  -2.730   3.131
  416    HB2  GLU  54           2HB      GLU  54  -9.919  -0.688   1.602
  417    HB3  GLU  54           1HB      GLU  54 -10.195  -1.306   3.219
  418    HG2  GLU  54           2HG      GLU  54  -8.258   0.032   3.989
  419    HG3  GLU  54           1HG      GLU  54  -8.189   0.740   2.371
  420    H    GLU  55           H        GLU  55  -8.355  -1.380  -0.119
  421    HA   GLU  55           HA       GLU  55 -10.364  -3.100  -1.144
  422    HB2  GLU  55           2HB      GLU  55  -8.297  -1.371  -2.501
  423    HB3  GLU  55           1HB      GLU  55  -9.570  -2.227  -3.362
  424    HG2  GLU  55           2HG      GLU  55 -10.127  -0.249  -1.174
  425    HG3  GLU  55           1HG      GLU  55  -9.999   0.199  -2.874
  426    H    TRP  56           H        TRP  56  -6.811  -3.097  -1.569
  427    HA   TRP  56           HA       TRP  56  -6.691  -5.339  -3.218
  428    HB2  TRP  56           2HB      TRP  56  -4.830  -4.013  -3.176
  429    HB3  TRP  56           1HB      TRP  56  -4.733  -4.076  -1.436
  430    HD1  TRP  56           HD       TRP  56  -4.029  -6.579  -4.175
  431    HE1  TRP  56           1HE      TRP  56  -2.279  -8.263  -3.339
  432    HE3  TRP  56           3HE      TRP  56  -3.446  -4.219  -0.534
  433    HZ2  TRP  56           2HZ      TRP  56  -0.559  -8.133  -0.981
  434    HZ3  TRP  56           3HZ      TRP  56  -1.732  -4.584   0.560
  435    HH2  TRP  56           HH       TRP  56  -0.269  -6.515   0.768
  436    H    CYS  57           H        CYS  57  -7.126  -4.995   0.070
  437    HA   CYS  57           HA       CYS  57  -6.116  -7.365   1.183
  438    HB2  CYS  57           2HB      CYS  57  -6.811  -5.403   2.525
  439    HB3  CYS  57           1HB      CYS  57  -8.493  -5.741   2.128
  440    HG   CYS  57           HG       CYS  57  -8.584  -8.170   3.486
  441    H    GLY  58           H        GLY  58  -9.406  -6.483   0.143
  442    HA2  GLY  58           2HA      GLY  58 -10.009  -9.369  -0.153
  443    HA3  GLY  58           1HA      GLY  58 -11.225  -8.140   0.201
  444    H    GLU  59           H        GLU  59  -8.537  -8.028  -2.032
  445    HA   GLU  59           HA       GLU  59 -10.263  -6.830  -4.011
  446    HB2  GLU  59           2HB      GLU  59  -7.916  -6.034  -3.295
  447    HB3  GLU  59           1HB      GLU  59  -7.316  -7.403  -4.252
  448    HG2  GLU  59           2HG      GLU  59  -7.223  -5.368  -5.556
  449    HG3  GLU  59           1HG      GLU  59  -8.350  -6.515  -6.271
  Start of MODEL    7
    1    H1   ASP   5           H        ASP   5  -7.276   6.953  -8.876
    2    HA   ASP   5           HA       ASP   5 -10.140   6.685  -8.530
    3    HB2  ASP   5           2HB      ASP   5  -9.929   8.914  -9.623
    4    HB3  ASP   5           1HB      ASP   5  -9.076   8.148 -10.960
    5    H    ILE   6           H        ILE   6  -9.102   4.633  -8.308
    6    HA   ILE   6           HA       ILE   6  -8.227   2.659  -8.921
    7    HB   ILE   6           HB       ILE   6  -9.536   1.402 -10.529
    8   HG12  ILE   6          2HG1      ILE   6 -11.147   3.941 -10.893
    9   HG13  ILE   6          1HG1      ILE   6 -10.081   3.247 -12.109
   10   HG21  ILE   6          1HG2      ILE   6 -11.103   3.015  -8.525
   11   HG22  ILE   6          2HG2      ILE   6 -10.211   1.526  -8.217
   12   HG23  ILE   6          3HG2      ILE   6 -11.641   1.498  -9.246
   13   HD11  ILE   6          3HD1      ILE   6 -12.550   1.950 -10.977
   14   HD12  ILE   6          1HD1      ILE   6 -11.483   1.250 -12.195
   15   HD13  ILE   6          2HD1      ILE   6 -12.402   2.711 -12.562
   16    H    ASP   7           H        ASP   7  -6.244   2.927  -9.502
   17    HA   ASP   7           HA       ASP   7  -5.434   1.886 -11.800
   18    HB2  ASP   7           2HB      ASP   7  -5.993   3.873 -13.032
   19    HB3  ASP   7           1HB      ASP   7  -4.982   4.780 -11.910
   20    H    GLU   8           H        GLU   8  -4.816   3.956  -9.922
   21    HA   GLU   8           HA       GLU   8  -1.973   3.579  -9.434
   22    HB2  GLU   8           2HB      GLU   8  -2.054   5.476  -7.956
   23    HB3  GLU   8           1HB      GLU   8  -2.995   5.857  -9.389
   24    HG2  GLU   8           2HG      GLU   8  -4.098   5.013  -6.717
   25    HG3  GLU   8           1HG      GLU   8  -4.087   6.653  -7.368
   26    H    ARG   9           H        ARG   9  -4.978   2.952  -7.776
   27    HA   ARG   9           HA       ARG   9  -4.086   2.176  -5.276
   28    HB2  ARG   9           2HB      ARG   9  -6.180   0.892  -5.152
   29    HB3  ARG   9           1HB      ARG   9  -6.443   2.437  -5.936
   30    HG2  ARG   9           2HG      ARG   9  -6.359   1.318  -8.128
   31    HG3  ARG   9           1HG      ARG   9  -6.193  -0.222  -7.299
   32    HD2  ARG   9           2HD      ARG   9  -8.493   1.487  -6.571
   33    HD3  ARG   9           1HD      ARG   9  -8.533   0.700  -8.134
   34    HE   ARG   9           HE       ARG   9  -7.980  -1.374  -6.601
   35   HH11  ARG   9          1HH1      ARG   9 -10.252   1.223  -5.988
   36   HH12  ARG   9          2HH1      ARG   9 -11.355   0.214  -5.105
   37   HH21  ARG   9          1HH2      ARG   9  -9.472  -2.718  -5.501
   38   HH22  ARG   9          2HH2      ARG   9 -10.926  -2.005  -4.849
   39    H    ASN  10           H        ASN  10  -4.472   0.206  -8.175
   40    HA   ASN  10           HA       ASN  10  -3.816  -2.275  -6.925
   41    HB2  ASN  10           2HB      ASN  10  -3.753  -1.513  -9.878
   42    HB3  ASN  10           1HB      ASN  10  -3.704  -3.156  -9.239
   43   HD21  ASN  10          1HD2      ASN  10  -5.675  -0.363  -9.811
   44   HD22  ASN  10          2HD2      ASN  10  -7.205  -1.080  -9.412
   45    H    ILE  11           H        ILE  11  -1.892   0.315  -8.062
   46    HA   ILE  11           HA       ILE  11   0.507  -1.098  -8.444
   47    HB   ILE  11           HB       ILE  11   0.134   1.696  -7.340
   48   HG12  ILE  11          2HG1      ILE  11   0.651   0.765 -10.176
   49   HG13  ILE  11          1HG1      ILE  11  -0.881   1.383  -9.568
   50   HG21  ILE  11          1HG2      ILE  11   2.568   0.380  -8.544
   51   HG22  ILE  11          2HG2      ILE  11   2.348   0.817  -6.850
   52   HG23  ILE  11          3HG2      ILE  11   2.444   2.077  -8.080
   53   HD11  ILE  11          3HD1      ILE  11   1.694   2.932  -9.738
   54   HD12  ILE  11          1HD1      ILE  11   0.149   3.550  -9.154
   55   HD13  ILE  11          2HD1      ILE  11   0.324   3.067 -10.839
   56    H    PHE  12           H        PHE  12  -1.003   0.319  -5.516
   57    HA   PHE  12           HA       PHE  12   1.295  -0.214  -3.917
   58    HB2  PHE  12           2HB      PHE  12  -1.444   0.812  -3.426
   59    HB3  PHE  12           1HB      PHE  12  -0.566   0.175  -2.043
   60    HD1  PHE  12           1HD      PHE  12   0.523   2.196  -5.012
   61    HD2  PHE  12           2HD      PHE  12   0.166   1.992  -0.756
   62    HE1  PHE  12           1HE      PHE  12   1.667   4.354  -4.799
   63    HE2  PHE  12           2HE      PHE  12   1.325   4.140  -0.565
   64    HZ   PHE  12           HZ       PHE  12   2.072   5.328  -2.582
   65    H    PHE  13           H        PHE  13  -1.949  -1.783  -3.828
   66    HA   PHE  13           HA       PHE  13  -1.892  -4.290  -2.396
   67    HB2  PHE  13           2HB      PHE  13  -2.128  -4.181  -5.086
   68    HB3  PHE  13           1HB      PHE  13  -3.077  -4.942  -4.079
   69    HD1  PHE  13           2HD      PHE  13  -3.226  -1.737  -2.901
   70    HD2  PHE  13           1HD      PHE  13  -4.507  -4.134  -6.177
   71    HE1  PHE  13           2HE      PHE  13  -5.216  -0.314  -3.187
   72    HE2  PHE  13           1HE      PHE  13  -6.501  -2.744  -6.430
   73    HZ   PHE  13           HZ       PHE  13  -6.860  -0.841  -4.943
   74    H    GLU  14           H        GLU  14  -0.417  -3.574  -5.671
   75    HA   GLU  14           HA       GLU  14   0.698  -6.187  -5.891
   76    HB2  GLU  14           2HB      GLU  14   1.200  -3.632  -7.407
   77    HB3  GLU  14           1HB      GLU  14   2.111  -5.098  -7.739
   78    HG2  GLU  14           2HG      GLU  14  -0.881  -4.847  -7.899
   79    HG3  GLU  14           1HG      GLU  14   0.224  -4.768  -9.270
   80    H    LEU  15           H        LEU  15   2.072  -3.035  -5.088
   81    HA   LEU  15           HA       LEU  15   4.638  -3.948  -4.321
   82    HB2  LEU  15           2HB      LEU  15   3.256  -1.721  -2.868
   83    HB3  LEU  15           1HB      LEU  15   4.932  -1.844  -3.347
   84    HG   LEU  15           HG       LEU  15   2.625  -1.339  -5.191
   85   HD11  LEU  15          1HD1      LEU  15   3.019   0.551  -3.739
   86   HD12  LEU  15          2HD1      LEU  15   3.525   0.920  -5.387
   87   HD13  LEU  15          3HD1      LEU  15   4.731   0.541  -4.158
   88   HD21  LEU  15          3HD2      LEU  15   4.349  -0.866  -6.874
   89   HD22  LEU  15          1HD2      LEU  15   4.433  -2.532  -6.302
   90   HD23  LEU  15          2HD2      LEU  15   5.595  -1.340  -5.720
   91    H    PHE  16           H        PHE  16   1.433  -4.002  -2.850
   92    HA   PHE  16           HA       PHE  16   2.343  -4.120  -0.188
   93    HB2  PHE  16           2HB      PHE  16  -0.077  -4.260  -1.796
   94    HB3  PHE  16           1HB      PHE  16  -0.193  -4.742  -0.148
   95    HD1  PHE  16           1HD      PHE  16   2.027  -2.156   0.025
   96    HD2  PHE  16           2HD      PHE  16  -2.143  -2.838  -0.895
   97    HE1  PHE  16           1HE      PHE  16   1.476   0.150   0.682
   98    HE2  PHE  16           2HE      PHE  16  -2.617  -0.550  -0.228
   99    HZ   PHE  16           HZ       PHE  16  -0.862   0.926   0.552
  100    H    ASP  17           H        ASP  17   1.360  -6.335  -2.661
  101    HA   ASP  17           HA       ASP  17   1.526  -8.682  -1.012
  102    HB2  ASP  17           2HB      ASP  17   0.096  -8.266  -3.158
  103    HB3  ASP  17           1HB      ASP  17   1.569  -8.702  -4.014
  104    H    ARG  18           H        ARG  18   3.510  -7.069  -3.399
  105    HA   ARG  18           HA       ARG  18   5.558  -8.978  -3.618
  106    HB2  ARG  18           2HB      ARG  18   5.206  -7.014  -5.126
  107    HB3  ARG  18           1HB      ARG  18   5.827  -5.977  -3.849
  108    HG2  ARG  18           2HG      ARG  18   7.963  -7.169  -3.935
  109    HG3  ARG  18           1HG      ARG  18   7.338  -8.169  -5.244
  110    HD2  ARG  18           2HD      ARG  18   6.947  -6.067  -6.545
  111    HD3  ARG  18           1HD      ARG  18   7.798  -5.193  -5.270
  112    HE   ARG  18           HE       ARG  18   9.050  -7.346  -6.860
  113   HH11  ARG  18          1HH1      ARG  18   9.143  -4.188  -5.348
  114   HH12  ARG  18          2HH1      ARG  18  10.794  -3.877  -5.779
  115   HH21  ARG  18          1HH2      ARG  18  11.191  -6.930  -7.492
  116   HH22  ARG  18          2HH2      ARG  18  11.968  -5.443  -7.022
  117    H    TYR  19           H        TYR  19   4.836  -6.612  -1.208
  118    HA   TYR  19           HA       TYR  19   7.351  -7.224   0.205
  119    HB2  TYR  19           2HB      TYR  19   5.427  -4.893   0.483
  120    HB3  TYR  19           1HB      TYR  19   6.725  -5.206   1.625
  121    HD1  TYR  19           2HD      TYR  19   6.523  -5.130  -2.130
  122    HD2  TYR  19           1HD      TYR  19   8.447  -3.670   1.374
  123    HE1  TYR  19           2HE      TYR  19   8.060  -3.819  -3.524
  124    HE2  TYR  19           1HE      TYR  19   9.984  -2.360  -0.012
  125    HH   TYR  19           HH       TYR  19   9.454  -1.580  -3.108
  126    H    LYS  20           H        LYS  20   4.652  -8.560  -0.152
  127    HA   LYS  20           HA       LYS  20   2.825  -9.303   1.007
  128    HB2  LYS  20           2HB      LYS  20   3.496 -11.197   2.440
  129    HB3  LYS  20           1HB      LYS  20   4.273 -11.167   0.869
  130    HG2  LYS  20           2HG      LYS  20   6.302 -10.237   1.945
  131    HG3  LYS  20           1HG      LYS  20   5.508 -10.430   3.513
  132    HD2  LYS  20           2HD      LYS  20   5.234 -12.842   3.032
  133    HD3  LYS  20           1HD      LYS  20   6.129 -12.618   1.529
  134    HE2  LYS  20           2HE      LYS  20   8.047 -11.785   2.893
  135    HE3  LYS  20           1HE      LYS  20   7.143 -12.237   4.339
  136    HZ1  LYS  20           3HZ      LYS  20   8.236 -14.001   2.233
  137    HZ2  LYS  20           1HZ      LYS  20   7.018 -14.533   3.290
  138    HZ3  LYS  20           2HZ      LYS  20   8.521 -14.048   3.904
  139    H    LEU  21           H        LEU  21   1.951  -7.453   1.916
  140    HA   LEU  21           HA       LEU  21   2.598  -6.806   4.678
  141    HB2  LEU  21           2HB      LEU  21   0.537  -5.901   2.671
  142    HB3  LEU  21           1HB      LEU  21   0.698  -5.169   4.244
  143    HG   LEU  21           HG       LEU  21   2.546  -5.101   1.921
  144   HD11  LEU  21          1HD1      LEU  21   1.349  -2.939   3.607
  145   HD12  LEU  21          2HD1      LEU  21   0.847  -3.403   1.981
  146   HD13  LEU  21          3HD1      LEU  21   2.440  -2.691   2.245
  147   HD21  LEU  21          3HD2      LEU  21   4.234  -3.991   3.297
  148   HD22  LEU  21          1HD2      LEU  21   3.950  -5.651   3.819
  149   HD23  LEU  21          2HD2      LEU  21   3.256  -4.310   4.730
  150    H    ASP  22           H        ASP  22   0.444  -6.437   5.943
  151    HA   ASP  22           HA       ASP  22  -1.448  -8.650   5.526
  152    HB2  ASP  22           2HB      ASP  22  -0.408  -7.453   8.079
  153    HB3  ASP  22           1HB      ASP  22  -1.929  -8.340   8.040
  154    H    LYS  23           H        LYS  23  -2.827  -7.675   4.391
  155    HA   LYS  23           HA       LYS  23  -3.340  -4.887   4.320
  156    HB2  LYS  23           2HB      LYS  23  -5.048  -7.107   3.208
  157    HB3  LYS  23           1HB      LYS  23  -4.999  -5.414   2.690
  158    HG2  LYS  23           2HG      LYS  23  -3.269  -5.908   1.305
  159    HG3  LYS  23           1HG      LYS  23  -2.396  -6.298   2.764
  160    HD2  LYS  23           2HD      LYS  23  -4.093  -8.487   2.231
  161    HD3  LYS  23           1HD      LYS  23  -3.147  -8.092   0.784
  162    HE2  LYS  23           2HE      LYS  23  -2.229  -8.909   3.480
  163    HE3  LYS  23           1HE      LYS  23  -1.620  -9.374   1.894
  164    HZ1  LYS  23           3HZ      LYS  23   0.011  -7.984   2.735
  165    HZ2  LYS  23           1HZ      LYS  23  -1.068  -6.817   3.422
  166    HZ3  LYS  23           2HZ      LYS  23  -0.862  -6.970   1.713
  167    H    PHE  24           H        PHE  24  -4.480  -7.418   6.316
  168    HA   PHE  24           HA       PHE  24  -7.065  -6.235   6.987
  169    HB2  PHE  24           2HB      PHE  24  -5.789  -8.803   7.962
  170    HB3  PHE  24           1HB      PHE  24  -7.443  -8.297   8.259
  171    HD1  PHE  24           2HD      PHE  24  -5.083  -9.403   5.639
  172    HD2  PHE  24           1HD      PHE  24  -9.151  -8.760   6.715
  173    HE1  PHE  24           2HE      PHE  24  -5.805 -10.630   3.631
  174    HE2  PHE  24           1HE      PHE  24  -9.879  -9.995   4.715
  175    HZ   PHE  24           HZ       PHE  24  -8.207 -10.928   3.170
  176    H    SER  25           H        SER  25  -3.992  -7.123   8.503
  177    HA   SER  25           HA       SER  25  -4.805  -6.912  11.169
  178    HB2  SER  25           2HB      SER  25  -2.828  -8.176  10.467
  179    HB3  SER  25           1HB      SER  25  -2.025  -6.694   9.977
  180    HG   SER  25           HG       SER  25  -1.333  -7.332  12.033
  181    H    THR  26           H        THR  26  -2.265  -4.796   9.911
  182    HA   THR  26           HA       THR  26  -3.650  -2.412  11.040
  183    HB   THR  26           HB       THR  26  -1.114  -1.594  10.988
  184    HG1  THR  26           1HG      THR  26  -0.342  -3.601  10.190
  185   HG21  THR  26          3HG2      THR  26  -2.547  -1.626  12.992
  186   HG22  THR  26          1HG2      THR  26  -0.915  -2.180  13.366
  187   HG23  THR  26          2HG2      THR  26  -2.225  -3.348  13.201
  188    H    TRP  27           H        TRP  27  -3.232  -0.586  10.014
  189    HA   TRP  27           HA       TRP  27  -2.892  -0.882   7.158
  190    HB2  TRP  27           2HB      TRP  27  -4.177   0.982   7.629
  191    HB3  TRP  27           1HB      TRP  27  -3.238   1.398   9.055
  192    HD1  TRP  27           HD       TRP  27  -2.235   3.702   8.573
  193    HE1  TRP  27           1HE      TRP  27  -1.103   4.963   6.763
  194    HE3  TRP  27           3HE      TRP  27  -2.676   0.187   5.078
  195    HZ2  TRP  27           2HZ      TRP  27  -0.582   4.589   4.115
  196    HZ3  TRP  27           3HZ      TRP  27  -1.941   0.801   2.805
  197    HH2  TRP  27           HH       TRP  27  -1.064   3.029   2.448
  198    H    SER  28           H        SER  28  -0.982   0.540   9.791
  199    HA   SER  28           HA       SER  28   1.013   1.027   7.867
  200    HB2  SER  28           2HB      SER  28   2.334   1.812   9.651
  201    HB3  SER  28           1HB      SER  28   1.035   2.786   9.068
  202    HG   SER  28           HG       SER  28   0.229   2.760  11.043
  203    H    LEU  29           H        LEU  29   0.888  -1.381  10.448
  204    HA   LEU  29           HA       LEU  29   3.613  -1.886  10.562
  205    HB2  LEU  29           2HB      LEU  29   1.576  -3.202  11.625
  206    HB3  LEU  29           1HB      LEU  29   1.740  -4.200  10.198
  207    HG   LEU  29           HG       LEU  29   4.064  -4.718  10.808
  208   HD11  LEU  29          1HD1      LEU  29   4.579  -2.663  12.024
  209   HD12  LEU  29          2HD1      LEU  29   4.920  -4.091  13.002
  210   HD13  LEU  29          3HD1      LEU  29   3.467  -3.139  13.306
  211   HD21  LEU  29          3HD2      LEU  29   2.275  -6.202  11.536
  212   HD22  LEU  29          1HD2      LEU  29   2.063  -5.245  13.003
  213   HD23  LEU  29          2HD2      LEU  29   3.562  -6.136  12.740
  214    H    GLN  30           H        GLN  30   1.291  -2.243   8.161
  215    HA   GLN  30           HA       GLN  30   3.025  -3.605   6.275
  216    HB2  GLN  30           2HB      GLN  30   0.182  -2.665   5.679
  217    HB3  GLN  30           1HB      GLN  30   1.190  -3.719   4.753
  218    HG2  GLN  30           2HG      GLN  30  -0.629  -4.782   5.997
  219    HG3  GLN  30           1HG      GLN  30   0.939  -5.476   6.254
  220   HE21  GLN  30          1HE2      GLN  30   0.580  -6.415   8.188
  221   HE22  GLN  30          2HE2      GLN  30   0.213  -5.554   9.637
  222    H    SER  31           H        SER  31   1.422  -0.432   6.622
  223    HA   SER  31           HA       SER  31   2.830   0.608   4.421
  224    HB2  SER  31           2HB      SER  31   1.842   2.778   4.908
  225    HB3  SER  31           1HB      SER  31   0.688   1.486   4.639
  226    HG   SER  31           HG       SER  31   0.192   2.758   6.485
  227    H    LYS  32           H        LYS  32   3.203   1.358   7.846
  228    HA   LYS  32           HA       LYS  32   5.149   3.347   7.409
  229    HB2  LYS  32           2HB      LYS  32   5.737   3.182   9.735
  230    HB3  LYS  32           1HB      LYS  32   3.992   3.062   9.585
  231    HG2  LYS  32           2HG      LYS  32   3.975   0.806  10.147
  232    HG3  LYS  32           1HG      LYS  32   5.692   0.605   9.798
  233    HD2  LYS  32           2HD      LYS  32   5.257   0.612  12.211
  234    HD3  LYS  32           1HD      LYS  32   6.264   1.977  11.731
  235    HE2  LYS  32           2HE      LYS  32   4.714   2.889  13.230
  236    HE3  LYS  32           1HE      LYS  32   4.090   3.318  11.639
  237    HZ1  LYS  32           3HZ      LYS  32   2.340   2.519  13.103
  238    HZ2  LYS  32           1HZ      LYS  32   3.149   1.048  13.311
  239    HZ3  LYS  32           2HZ      LYS  32   2.534   1.474  11.791
  240    H    LYS  33           H        LYS  33   5.226   0.128   6.751
  241    HA   LYS  33           HA       LYS  33   8.150  -0.035   7.102
  242    HB2  LYS  33           2HB      LYS  33   8.047  -2.404   6.731
  243    HB3  LYS  33           1HB      LYS  33   6.860  -1.984   7.950
  244    HG2  LYS  33           2HG      LYS  33   5.097  -2.470   6.590
  245    HG3  LYS  33           1HG      LYS  33   6.012  -2.171   5.113
  246    HD2  LYS  33           2HD      LYS  33   5.423  -4.578   5.569
  247    HD3  LYS  33           1HD      LYS  33   7.127  -4.251   5.270
  248    HE2  LYS  33           2HE      LYS  33   6.122  -4.300   8.081
  249    HE3  LYS  33           1HE      LYS  33   6.371  -5.823   7.229
  250    HZ1  LYS  33           3HZ      LYS  33   8.373  -5.374   8.342
  251    HZ2  LYS  33           1HZ      LYS  33   8.389  -3.745   7.868
  252    HZ3  LYS  33           2HZ      LYS  33   8.670  -4.963   6.726
  253    H    ILE  34           H        ILE  34   5.608   0.038   4.677
  254    HA   ILE  34           HA       ILE  34   7.542  -0.163   2.520
  255    HB   ILE  34           HB       ILE  34   5.802   0.004   0.976
  256   HG12  ILE  34          2HG1      ILE  34   3.563   0.821   2.832
  257   HG13  ILE  34          1HG1      ILE  34   4.764   2.028   2.389
  258   HG21  ILE  34          1HG2      ILE  34   4.078  -1.573   1.696
  259   HG22  ILE  34          2HG2      ILE  34   4.642  -1.403   3.358
  260   HG23  ILE  34          3HG2      ILE  34   5.708  -2.087   2.131
  261   HD11  ILE  34          3HD1      ILE  34   2.850   2.013   0.871
  262   HD12  ILE  34          1HD1      ILE  34   3.183   0.329   0.467
  263   HD13  ILE  34          2HD1      ILE  34   4.337   1.587   0.025
  264    H    GLU  35           H        GLU  35   6.585   2.053   4.691
  265    HA   GLU  35           HA       GLU  35   6.222   4.486   3.617
  266    HB2  GLU  35           2HB      GLU  35   6.380   3.887   6.045
  267    HB3  GLU  35           1HB      GLU  35   8.131   3.976   5.893
  268    HG2  GLU  35           2HG      GLU  35   7.000   6.331   4.815
  269    HG3  GLU  35           1HG      GLU  35   6.300   6.047   6.397
  270    H    ASN  36           H        ASN  36   9.421   3.933   4.847
  271    HA   ASN  36           HA       ASN  36  10.862   5.679   3.342
  272    HB2  ASN  36           2HB      ASN  36  11.694   3.002   4.451
  273    HB3  ASN  36           1HB      ASN  36  12.834   4.111   3.697
  274   HD21  ASN  36          1HD2      ASN  36  11.516   6.494   4.691
  275   HD22  ASN  36          2HD2      ASN  36  11.889   6.582   6.376
  276    H    ASP  37           H        ASP  37   9.608   2.636   2.206
  277    HA   ASP  37           HA       ASP  37  11.344   2.370  -0.038
  278    HB2  ASP  37           2HB      ASP  37   8.558   1.266   0.417
  279    HB3  ASP  37           1HB      ASP  37   9.612   0.795  -0.910
  280    HA   PRO  38           HA       PRO  38   9.729   5.577  -2.665
  281    HB2  PRO  38           2HB      PRO  38  10.340   3.715  -4.887
  282    HB3  PRO  38           1HB      PRO  38  10.907   5.364  -4.616
  283    HG2  PRO  38           2HG      PRO  38  12.531   3.283  -4.254
  284    HG3  PRO  38           1HG      PRO  38  12.591   4.689  -3.175
  285    HD2  PRO  38           2HD      PRO  38  11.352   2.003  -2.722
  286    HD3  PRO  38           1HD      PRO  38  12.266   3.028  -1.596
  287    H    ASP  39           H        ASP  39   8.499   2.472  -2.375
  288    HA   ASP  39           HA       ASP  39   6.487   2.583  -4.399
  289    HB2  ASP  39           2HB      ASP  39   6.976   0.729  -2.071
  290    HB3  ASP  39           1HB      ASP  39   5.620   0.534  -3.181
  291    H    PHE  40           H        PHE  40   6.604   3.340  -0.938
  292    HA   PHE  40           HA       PHE  40   3.827   3.873  -0.591
  293    HB2  PHE  40           2HB      PHE  40   5.999   3.893   1.028
  294    HB3  PHE  40           1HB      PHE  40   5.810   5.613   0.765
  295    HD1  PHE  40           2HD      PHE  40   2.732   3.510   1.004
  296    HD2  PHE  40           1HD      PHE  40   5.553   5.921   3.106
  297    HE1  PHE  40           2HE      PHE  40   1.279   3.535   2.923
  298    HE2  PHE  40           1HE      PHE  40   4.066   5.926   5.046
  299    HZ   PHE  40           HZ       PHE  40   1.962   4.686   4.945
  300    H    TYR  41           H        TYR  41   6.492   5.622  -1.983
  301    HA   TYR  41           HA       TYR  41   5.054   8.144  -2.055
  302    HB2  TYR  41           2HB      TYR  41   7.802   7.508  -3.138
  303    HB3  TYR  41           1HB      TYR  41   7.123   9.105  -2.843
  304    HD1  TYR  41           2HD      TYR  41   5.926   8.727  -0.157
  305    HD2  TYR  41           1HD      TYR  41   9.648   7.392  -1.724
  306    HE1  TYR  41           2HE      TYR  41   6.860   8.675   2.115
  307    HE2  TYR  41           1HE      TYR  41  10.588   7.331   0.544
  308    HH   TYR  41           HH       TYR  41   8.730   7.416   3.296
  309    H    LYS  42           H        LYS  42   4.528   5.600  -3.778
  310    HA   LYS  42           HA       LYS  42   4.752   6.570  -6.460
  311    HB2  LYS  42           2HB      LYS  42   3.013   4.410  -5.252
  312    HB3  LYS  42           1HB      LYS  42   3.090   4.744  -6.971
  313    HG2  LYS  42           2HG      LYS  42   5.339   3.795  -5.211
  314    HG3  LYS  42           1HG      LYS  42   4.487   2.860  -6.439
  315    HD2  LYS  42           2HD      LYS  42   5.344   4.352  -8.176
  316    HD3  LYS  42           1HD      LYS  42   6.176   5.310  -6.949
  317    HE2  LYS  42           2HE      LYS  42   7.501   3.336  -6.329
  318    HE3  LYS  42           1HE      LYS  42   6.683   2.403  -7.580
  319    HZ1  LYS  42           3HZ      LYS  42   8.492   4.726  -7.972
  320    HZ2  LYS  42           1HZ      LYS  42   7.577   4.018  -9.214
  321    HZ3  LYS  42           2HZ      LYS  42   8.768   3.113  -8.426
  322    H    ILE  43           H        ILE  43   2.500   6.890  -3.857
  323    HA   ILE  43           HA       ILE  43   0.843   8.657  -5.527
  324    HB   ILE  43           HB       ILE  43   0.013   7.081  -3.080
  325   HG12  ILE  43          2HG1      ILE  43  -0.786   6.879  -5.993
  326   HG13  ILE  43          1HG1      ILE  43   0.159   5.706  -5.086
  327   HG21  ILE  43          1HG2      ILE  43  -1.591   9.011  -4.755
  328   HG22  ILE  43          2HG2      ILE  43  -1.061   9.267  -3.093
  329   HG23  ILE  43          3HG2      ILE  43  -2.231   7.998  -3.461
  330   HD11  ILE  43          3HD1      ILE  43  -2.719   6.424  -4.580
  331   HD12  ILE  43          1HD1      ILE  43  -1.771   5.250  -3.665
  332   HD13  ILE  43          2HD1      ILE  43  -2.126   4.961  -5.368
  333    H    ARG  44           H        ARG  44   0.514  10.700  -4.836
  334    HA   ARG  44           HA       ARG  44   2.460  11.880  -3.201
  335    HB2  ARG  44           2HB      ARG  44   1.350  13.076  -5.016
  336    HB3  ARG  44           1HB      ARG  44  -0.185  12.983  -4.162
  337    HG2  ARG  44           2HG      ARG  44   0.705  15.181  -3.893
  338    HG3  ARG  44           1HG      ARG  44   0.805  14.345  -2.342
  339    HD2  ARG  44           2HD      ARG  44   2.845  15.588  -2.762
  340    HD3  ARG  44           1HD      ARG  44   3.171  13.855  -2.776
  341    HE   ARG  44           HE       ARG  44   2.699  14.510  -5.401
  342   HH11  ARG  44          1HH1      ARG  44   4.940  15.628  -2.937
  343   HH12  ARG  44          2HH1      ARG  44   6.203  15.973  -4.083
  344   HH21  ARG  44          1HH2      ARG  44   4.362  14.952  -6.878
  345   HH22  ARG  44          2HH2      ARG  44   5.882  15.573  -6.312
  346    H    ASP  45           H        ASP  45  -1.010  11.319  -2.592
  347    HA   ASP  45           HA       ASP  45  -0.702  12.400   0.094
  348    HB2  ASP  45           2HB      ASP  45  -3.066  12.415   0.236
  349    HB3  ASP  45           1HB      ASP  45  -2.678  12.963  -1.390
  350    H    ASP  46           H        ASP  46  -1.261  11.358   1.931
  351    HA   ASP  46           HA       ASP  46  -0.889   8.418   1.886
  352    HB2  ASP  46           2HB      ASP  46   0.802   9.906   3.053
  353    HB3  ASP  46           1HB      ASP  46  -0.463  10.369   4.180
  354    H    THR  47           H        THR  47  -3.406   9.989   1.511
  355    HA   THR  47           HA       THR  47  -4.951   8.851   3.755
  356    HB   THR  47           HB       THR  47  -6.785  10.435   2.826
  357    HG1  THR  47           1HG      THR  47  -5.106  10.950   1.005
  358   HG21  THR  47          3HG2      THR  47  -5.966  12.264   4.240
  359   HG22  THR  47          1HG2      THR  47  -4.361  11.534   4.254
  360   HG23  THR  47          2HG2      THR  47  -5.717  10.695   5.008
  361    H    VAL  48           H        VAL  48  -4.316   8.798   0.429
  362    HA   VAL  48           HA       VAL  48  -6.573   7.073  -0.178
  363    HB   VAL  48           HB       VAL  48  -4.444   8.460  -1.778
  364   HG11  VAL  48          1HG1      VAL  48  -4.411   6.163  -2.637
  365   HG12  VAL  48          2HG1      VAL  48  -5.147   7.259  -3.807
  366   HG13  VAL  48          3HG1      VAL  48  -6.162   6.198  -2.829
  367   HG21  VAL  48          3HG2      VAL  48  -6.537   9.612  -1.352
  368   HG22  VAL  48          1HG2      VAL  48  -7.447   8.261  -2.028
  369   HG23  VAL  48          2HG2      VAL  48  -6.393   9.220  -3.066
  370    H    ARG  49           H        ARG  49  -3.175   6.967   0.521
  371    HA   ARG  49           HA       ARG  49  -2.378   4.539  -0.585
  372    HB2  ARG  49           2HB      ARG  49  -1.506   5.821   2.001
  373    HB3  ARG  49           1HB      ARG  49  -0.676   4.496   1.249
  374    HG2  ARG  49           2HG      ARG  49  -0.209   5.876  -0.693
  375    HG3  ARG  49           1HG      ARG  49  -1.059   7.202   0.087
  376    HD2  ARG  49           2HD      ARG  49   0.535   7.117   1.950
  377    HD3  ARG  49           1HD      ARG  49   1.411   5.836   1.115
  378    HE   ARG  49           HE       ARG  49   1.412   7.812  -0.705
  379   HH11  ARG  49          1HH1      ARG  49   2.153   7.808   2.716
  380   HH12  ARG  49          2HH1      ARG  49   3.408   9.015   2.567
  381   HH21  ARG  49          1HH2      ARG  49   3.037   9.405  -0.895
  382   HH22  ARG  49          2HH2      ARG  49   3.902   9.917   0.522
  383    H    GLU  50           H        GLU  50  -3.804   5.129   2.638
  384    HA   GLU  50           HA       GLU  50  -3.626   2.303   3.112
  385    HB2  GLU  50           2HB      GLU  50  -5.139   3.304   5.126
  386    HB3  GLU  50           1HB      GLU  50  -3.521   2.882   5.194
  387    HG2  GLU  50           2HG      GLU  50  -3.984   4.922   6.115
  388    HG3  GLU  50           1HG      GLU  50  -2.825   5.055   4.912
  389    H    SER  51           H        SER  51  -6.070   4.482   2.059
  390    HA   SER  51           HA       SER  51  -8.221   2.654   2.221
  391    HB2  SER  51           2HB      SER  51  -7.738   4.739   0.066
  392    HB3  SER  51           1HB      SER  51  -9.293   4.049   0.536
  393    HG   SER  51           HG       SER  51  -7.651   5.866   1.946
  394    H    LEU  52           H        LEU  52  -5.344   2.430   0.604
  395    HA   LEU  52           HA       LEU  52  -6.102   1.230  -1.767
  396    HB2  LEU  52           2HB      LEU  52  -3.551   1.461  -0.374
  397    HB3  LEU  52           1HB      LEU  52  -3.643   0.661  -1.883
  398    HG   LEU  52           HG       LEU  52  -4.164   3.565  -1.307
  399   HD11  LEU  52          1HD1      LEU  52  -2.393   2.233  -3.323
  400   HD12  LEU  52          2HD1      LEU  52  -1.880   2.967  -1.804
  401   HD13  LEU  52          3HD1      LEU  52  -2.573   3.970  -3.079
  402   HD21  LEU  52          3HD2      LEU  52  -4.897   2.118  -3.838
  403   HD22  LEU  52          1HD2      LEU  52  -4.935   3.864  -3.601
  404   HD23  LEU  52          2HD2      LEU  52  -6.016   2.826  -2.674
  405    H    PHE  53           H        PHE  53  -4.955   0.286   0.932
  406    HA   PHE  53           HA       PHE  53  -4.042  -2.238   0.230
  407    HB2  PHE  53           2HB      PHE  53  -2.859  -1.103   1.637
  408    HB3  PHE  53           1HB      PHE  53  -4.199   0.083   1.674
  409    HD1  PHE  53           1HD      PHE  53  -5.670   0.012   3.564
  410    HD2  PHE  53           2HD      PHE  53  -2.471  -2.721   3.308
  411    HE1  PHE  53           1HE      PHE  53  -5.994  -0.554   5.955
  412    HE2  PHE  53           2HE      PHE  53  -2.759  -3.319   5.690
  413    HZ   PHE  53           HZ       PHE  53  -4.529  -2.227   7.016
  414    H    GLU  54           H        GLU  54  -6.657  -0.790   2.010
  415    HA   GLU  54           HA       GLU  54  -8.002  -3.087   2.987
  416    HB2  GLU  54           2HB      GLU  54  -9.702  -0.872   1.992
  417    HB3  GLU  54           1HB      GLU  54  -9.723  -1.685   3.545
  418    HG2  GLU  54           2HG      GLU  54  -7.681  -0.432   4.162
  419    HG3  GLU  54           1HG      GLU  54  -7.842   0.455   2.642
  420    H    GLU  55           H        GLU  55  -8.176  -1.357  -0.065
  421    HA   GLU  55           HA       GLU  55 -10.261  -2.905  -1.196
  422    HB2  GLU  55           2HB      GLU  55  -8.109  -1.192  -2.438
  423    HB3  GLU  55           1HB      GLU  55  -9.379  -1.963  -3.378
  424    HG2  GLU  55           2HG      GLU  55  -9.913  -0.057  -1.115
  425    HG3  GLU  55           1HG      GLU  55  -9.767   0.442  -2.800
  426    H    TRP  56           H        TRP  56  -6.733  -3.046  -1.627
  427    HA   TRP  56           HA       TRP  56  -6.770  -5.351  -3.229
  428    HB2  TRP  56           2HB      TRP  56  -4.917  -4.114  -3.481
  429    HB3  TRP  56           1HB      TRP  56  -4.704  -3.915  -1.757
  430    HD1  TRP  56           HD       TRP  56  -3.987  -6.581  -4.269
  431    HE1  TRP  56           1HE      TRP  56  -2.279  -8.225  -3.315
  432    HE3  TRP  56           3HE      TRP  56  -3.501  -4.109  -0.631
  433    HZ2  TRP  56           2HZ      TRP  56  -0.704  -8.136  -1.004
  434    HZ3  TRP  56           3HZ      TRP  56  -1.801  -4.507   0.538
  435    HH2  TRP  56           HH       TRP  56  -0.422  -6.468   0.767
  436    H    CYS  57           H        CYS  57  -7.187  -4.859  -0.028
  437    HA   CYS  57           HA       CYS  57  -6.140  -7.159   1.226
  438    HB2  CYS  57           2HB      CYS  57  -6.879  -5.146   2.458
  439    HB3  CYS  57           1HB      CYS  57  -8.543  -5.469   1.996
  440    HG   CYS  57           HG       CYS  57  -9.015  -6.651   4.209
  441    H    GLY  58           H        GLY  58  -9.411  -6.320   0.084
  442    HA2  GLY  58           2HA      GLY  58 -10.038  -9.207  -0.103
  443    HA3  GLY  58           1HA      GLY  58 -11.241  -7.926   0.050
  444    H    GLU  59           H        GLU  59  -8.384  -8.131  -1.963
  445    HA   GLU  59           HA       GLU  59  -9.956  -7.206  -4.236
  446    HB2  GLU  59           2HB      GLU  59  -7.794  -6.101  -3.359
  447    HB3  GLU  59           1HB      GLU  59  -6.968  -7.509  -4.047
  448    HG2  GLU  59           2HG      GLU  59  -6.830  -5.733  -5.630
  449    HG3  GLU  59           1HG      GLU  59  -7.898  -6.977  -6.271
  Start of MODEL    8
    1    H1   ASP   5           H        ASP   5  -6.642   7.253 -11.238
    2    HA   ASP   5           HA       ASP   5  -9.258   8.220 -10.318
    3    HB2  ASP   5           2HB      ASP   5  -8.658   9.137 -12.623
    4    HB3  ASP   5           1HB      ASP   5  -8.682   7.474 -13.199
    5    H    ILE   6           H        ILE   6  -8.749   6.396  -8.943
    6    HA   ILE   6           HA       ILE   6  -8.350   4.242  -8.353
    7    HB   ILE   6           HB       ILE   6 -10.147   2.651  -8.925
    8   HG12  ILE   6          2HG1      ILE   6 -11.388   5.000 -10.384
    9   HG13  ILE   6          1HG1      ILE   6 -10.777   3.539 -11.151
   10   HG21  ILE   6          1HG2      ILE   6 -10.257   4.031  -6.952
   11   HG22  ILE   6          2HG2      ILE   6 -11.872   3.855  -7.640
   12   HG23  ILE   6          3HG2      ILE   6 -10.969   5.352  -7.878
   13   HD11  ILE   6          3HD1      ILE   6 -13.193   3.487 -10.965
   14   HD12  ILE   6          1HD1      ILE   6 -13.076   3.690  -9.216
   15   HD13  ILE   6          2HD1      ILE   6 -12.462   2.221  -9.976
   16    H    ASP   7           H        ASP   7  -6.525   3.660  -9.132
   17    HA   ASP   7           HA       ASP   7  -6.209   1.875 -11.106
   18    HB2  ASP   7           2HB      ASP   7  -5.281   2.887 -13.035
   19    HB3  ASP   7           1HB      ASP   7  -6.804   3.681 -12.670
   20    H    GLU   8           H        GLU   8  -4.974   4.133  -9.830
   21    HA   GLU   8           HA       GLU   8  -2.210   3.442  -9.530
   22    HB2  GLU   8           2HB      GLU   8  -1.935   5.381  -8.237
   23    HB3  GLU   8           1HB      GLU   8  -3.239   5.808  -9.336
   24    HG2  GLU   8           2HG      GLU   8  -3.726   4.801  -6.548
   25    HG3  GLU   8           1HG      GLU   8  -3.486   6.504  -6.916
   26    H    ARG   9           H        ARG   9  -5.108   2.750  -7.881
   27    HA   ARG   9           HA       ARG   9  -4.181   2.134  -5.321
   28    HB2  ARG   9           2HB      ARG   9  -6.317   1.053  -5.032
   29    HB3  ARG   9           1HB      ARG   9  -6.544   2.454  -6.049
   30    HG2  ARG   9           2HG      ARG   9  -6.684   1.074  -8.016
   31    HG3  ARG   9           1HG      ARG   9  -6.358  -0.363  -7.055
   32    HD2  ARG   9           2HD      ARG   9  -8.431   0.018  -5.793
   33    HD3  ARG   9           1HD      ARG   9  -8.760   1.444  -6.776
   34    HE   ARG   9           HE       ARG   9  -9.038  -0.006  -8.687
   35   HH11  ARG   9          1HH1      ARG   9  -9.016  -1.598  -5.555
   36   HH12  ARG   9          2HH1      ARG   9  -9.764  -3.056  -6.146
   37   HH21  ARG   9          1HH2      ARG   9 -10.037  -1.915  -9.448
   38   HH22  ARG   9          2HH2      ARG   9 -10.343  -3.227  -8.349
   39    H    ASN  10           H        ASN  10  -4.647   0.003  -8.121
   40    HA   ASN  10           HA       ASN  10  -3.874  -2.409  -6.746
   41    HB2  ASN  10           2HB      ASN  10  -3.973  -1.763  -9.730
   42    HB3  ASN  10           1HB      ASN  10  -3.704  -3.371  -9.062
   43   HD21  ASN  10          1HD2      ASN  10  -6.011  -0.868  -9.667
   44   HD22  ASN  10          2HD2      ASN  10  -7.414  -1.765  -9.202
   45    H    ILE  11           H        ILE  11  -2.065   0.204  -7.930
   46    HA   ILE  11           HA       ILE  11   0.374  -1.151  -8.345
   47    HB   ILE  11           HB       ILE  11  -0.328   1.682  -7.657
   48   HG12  ILE  11          2HG1      ILE  11   0.952   2.112  -9.761
   49   HG13  ILE  11          1HG1      ILE  11   1.201   0.379  -9.921
   50   HG21  ILE  11          1HG2      ILE  11   1.621   1.242  -6.282
   51   HG22  ILE  11          2HG2      ILE  11   2.048   2.291  -7.634
   52   HG23  ILE  11          3HG2      ILE  11   2.478   0.580  -7.675
   53   HD11  ILE  11          3HD1      ILE  11  -1.451   1.791  -9.962
   54   HD12  ILE  11          1HD1      ILE  11  -1.202   0.050 -10.129
   55   HD13  ILE  11          2HD1      ILE  11  -0.585   1.154 -11.358
   56    H    PHE  12           H        PHE  12  -1.211   0.165  -5.410
   57    HA   PHE  12           HA       PHE  12   1.152  -0.299  -3.847
   58    HB2  PHE  12           2HB      PHE  12  -1.500   0.864  -3.388
   59    HB3  PHE  12           1HB      PHE  12  -0.787   0.078  -1.981
   60    HD1  PHE  12           1HD      PHE  12   0.486   2.181  -4.804
   61    HD2  PHE  12           2HD      PHE  12   0.288   1.597  -0.580
   62    HE1  PHE  12           1HE      PHE  12   1.915   4.140  -4.455
   63    HE2  PHE  12           2HE      PHE  12   1.711   3.564  -0.244
   64    HZ   PHE  12           HZ       PHE  12   2.526   4.834  -2.181
   65    H    PHE  13           H        PHE  13  -2.093  -1.869  -3.640
   66    HA   PHE  13           HA       PHE  13  -1.893  -4.399  -2.277
   67    HB2  PHE  13           2HB      PHE  13  -2.329  -4.414  -4.937
   68    HB3  PHE  13           1HB      PHE  13  -3.236  -5.012  -3.796
   69    HD1  PHE  13           1HD      PHE  13  -3.329  -1.854  -2.734
   70    HD2  PHE  13           2HD      PHE  13  -4.632  -4.231  -6.014
   71    HE1  PHE  13           1HE      PHE  13  -5.296  -0.397  -3.035
   72    HE2  PHE  13           2HE      PHE  13  -6.571  -2.772  -6.318
   73    HZ   PHE  13           HZ       PHE  13  -6.909  -0.860  -4.834
   74    H    GLU  14           H        GLU  14  -0.525  -3.528  -5.556
   75    HA   GLU  14           HA       GLU  14   0.686  -6.054  -5.983
   76    HB2  GLU  14           2HB      GLU  14   0.285  -3.730  -7.481
   77    HB3  GLU  14           1HB      GLU  14   2.032  -3.871  -7.359
   78    HG2  GLU  14           2HG      GLU  14   0.286  -6.142  -8.248
   79    HG3  GLU  14           1HG      GLU  14   0.936  -4.943  -9.363
   80    H    LEU  15           H        LEU  15   2.033  -2.909  -5.023
   81    HA   LEU  15           HA       LEU  15   4.608  -3.785  -4.286
   82    HB2  LEU  15           2HB      LEU  15   3.171  -1.708  -2.678
   83    HB3  LEU  15           1HB      LEU  15   4.845  -1.749  -3.167
   84    HG   LEU  15           HG       LEU  15   2.519  -1.169  -4.956
   85   HD11  LEU  15          1HD1      LEU  15   3.370   1.123  -4.985
   86   HD12  LEU  15          2HD1      LEU  15   4.586   0.677  -3.788
   87   HD13  LEU  15          3HD1      LEU  15   2.874   0.617  -3.371
   88   HD21  LEU  15          3HD2      LEU  15   4.364  -2.216  -6.164
   89   HD22  LEU  15          1HD2      LEU  15   5.489  -1.036  -5.492
   90   HD23  LEU  15          2HD2      LEU  15   4.222  -0.513  -6.604
   91    H    PHE  16           H        PHE  16   1.413  -4.044  -2.814
   92    HA   PHE  16           HA       PHE  16   2.394  -4.226  -0.168
   93    HB2  PHE  16           2HB      PHE  16  -0.069  -4.238  -1.738
   94    HB3  PHE  16           1HB      PHE  16  -0.164  -4.833  -0.120
   95    HD1  PHE  16           2HD      PHE  16   2.116  -2.380   0.247
   96    HD2  PHE  16           1HD      PHE  16  -2.081  -2.766  -0.722
   97    HE1  PHE  16           2HE      PHE  16   1.660  -0.150   1.174
   98    HE2  PHE  16           1HE      PHE  16  -2.459  -0.561   0.221
   99    HZ   PHE  16           HZ       PHE  16  -0.633   0.728   1.168
  100    H    ASP  17           H        ASP  17   1.569  -6.313  -2.782
  101    HA   ASP  17           HA       ASP  17   1.686  -8.763  -1.279
  102    HB2  ASP  17           2HB      ASP  17   0.395  -8.459  -3.429
  103    HB3  ASP  17           1HB      ASP  17   1.932  -8.392  -4.269
  104    H    ARG  18           H        ARG  18   3.746  -7.045  -3.544
  105    HA   ARG  18           HA       ARG  18   5.969  -8.720  -3.526
  106    HB2  ARG  18           2HB      ARG  18   5.847  -6.859  -5.059
  107    HB3  ARG  18           1HB      ARG  18   5.827  -5.709  -3.730
  108    HG2  ARG  18           2HG      ARG  18   7.998  -5.752  -4.809
  109    HG3  ARG  18           1HG      ARG  18   8.116  -6.332  -3.146
  110    HD2  ARG  18           2HD      ARG  18   8.014  -8.661  -4.027
  111    HD3  ARG  18           1HD      ARG  18   8.083  -8.000  -5.658
  112    HE   ARG  18           HE       ARG  18  10.245  -7.000  -4.144
  113   HH11  ARG  18          1HH1      ARG  18   9.116  -9.948  -5.677
  114   HH12  ARG  18          2HH1      ARG  18  10.710 -10.612  -5.856
  115   HH21  ARG  18          1HH2      ARG  18  12.348  -7.869  -4.410
  116   HH22  ARG  18          2HH2      ARG  18  12.551  -9.421  -5.171
  117    H    TYR  19           H        TYR  19   4.839  -6.460  -1.128
  118    HA   TYR  19           HA       TYR  19   7.245  -6.944   0.491
  119    HB2  TYR  19           2HB      TYR  19   5.086  -4.841   0.666
  120    HB3  TYR  19           1HB      TYR  19   6.240  -5.114   1.969
  121    HD1  TYR  19           2HD      TYR  19   7.978  -5.829  -0.945
  122    HD2  TYR  19           1HD      TYR  19   6.404  -2.515   1.204
  123    HE1  TYR  19           2HE      TYR  19   9.597  -4.350  -2.050
  124    HE2  TYR  19           1HE      TYR  19   8.017  -1.030   0.108
  125    HH   TYR  19           HH       TYR  19  10.124  -1.109  -1.005
  126    H    LYS  20           H        LYS  20   4.418  -8.311  -0.073
  127    HA   LYS  20           HA       LYS  20   3.068  -9.798   0.968
  128    HB2  LYS  20           2HB      LYS  20   5.503 -10.171   2.711
  129    HB3  LYS  20           1HB      LYS  20   4.178 -11.312   2.540
  130    HG2  LYS  20           2HG      LYS  20   4.735 -11.648   0.205
  131    HG3  LYS  20           1HG      LYS  20   6.031 -10.456   0.329
  132    HD2  LYS  20           2HD      LYS  20   7.114 -11.873   2.043
  133    HD3  LYS  20           1HD      LYS  20   5.852 -13.082   1.803
  134    HE2  LYS  20           2HE      LYS  20   7.878 -13.641   0.552
  135    HE3  LYS  20           1HE      LYS  20   6.516 -13.336  -0.526
  136    HZ1  LYS  20           3HZ      LYS  20   8.618 -12.299  -1.256
  137    HZ2  LYS  20           1HZ      LYS  20   8.603 -11.325   0.134
  138    HZ3  LYS  20           2HZ      LYS  20   7.370 -11.178  -1.028
  139    H    LEU  21           H        LEU  21   2.060  -7.555   1.752
  140    HA   LEU  21           HA       LEU  21   2.342  -7.196   4.602
  141    HB2  LEU  21           2HB      LEU  21   0.414  -5.912   2.682
  142    HB3  LEU  21           1HB      LEU  21   0.591  -5.487   4.373
  143    HG   LEU  21           HG       LEU  21   2.547  -5.166   2.217
  144   HD11  LEU  21          1HD1      LEU  21   0.892  -3.448   2.228
  145   HD12  LEU  21          2HD1      LEU  21   2.437  -2.788   2.767
  146   HD13  LEU  21          3HD1      LEU  21   1.181  -3.171   3.944
  147   HD21  LEU  21          3HD2      LEU  21   4.103  -4.208   3.838
  148   HD22  LEU  21          1HD2      LEU  21   3.781  -5.919   4.122
  149   HD23  LEU  21          2HD2      LEU  21   2.993  -4.696   5.120
  150    H    ASP  22           H        ASP  22   1.004  -7.548   6.062
  151    HA   ASP  22           HA       ASP  22  -1.122  -9.477   5.693
  152    HB2  ASP  22           2HB      ASP  22  -0.504  -7.787   8.129
  153    HB3  ASP  22           1HB      ASP  22  -1.508  -9.233   8.094
  154    H    LYS  23           H        LYS  23  -2.458  -8.658   4.373
  155    HA   LYS  23           HA       LYS  23  -3.134  -5.909   4.267
  156    HB2  LYS  23           2HB      LYS  23  -3.500  -8.053   2.594
  157    HB3  LYS  23           1HB      LYS  23  -5.138  -7.540   3.021
  158    HG2  LYS  23           2HG      LYS  23  -3.078  -6.161   1.421
  159    HG3  LYS  23           1HG      LYS  23  -4.856  -5.971   1.443
  160    HD2  LYS  23           2HD      LYS  23  -4.248  -3.929   2.267
  161    HD3  LYS  23           1HD      LYS  23  -4.287  -4.821   3.788
  162    HE2  LYS  23           2HE      LYS  23  -1.720  -5.181   2.582
  163    HE3  LYS  23           1HE      LYS  23  -2.099  -3.456   2.592
  164    HZ1  LYS  23           3HZ      LYS  23  -2.471  -3.565   4.968
  165    HZ2  LYS  23           1HZ      LYS  23  -0.929  -4.162   4.600
  166    HZ3  LYS  23           2HZ      LYS  23  -2.183  -5.233   4.982
  167    H    PHE  24           H        PHE  24  -4.379  -8.565   6.127
  168    HA   PHE  24           HA       PHE  24  -6.902  -7.178   6.693
  169    HB2  PHE  24           2HB      PHE  24  -6.009  -9.960   7.477
  170    HB3  PHE  24           1HB      PHE  24  -7.615  -9.283   7.716
  171    HD1  PHE  24           2HD      PHE  24  -5.194 -10.405   5.158
  172    HD2  PHE  24           1HD      PHE  24  -9.225  -9.328   5.994
  173    HE1  PHE  24           2HE      PHE  24  -5.880 -11.280   2.966
  174    HE2  PHE  24           1HE      PHE  24  -9.916 -10.205   3.804
  175    HZ   PHE  24           HZ       PHE  24  -8.241 -11.180   2.287
  176    H    SER  25           H        SER  25  -3.819  -7.482   8.027
  177    HA   SER  25           HA       SER  25  -4.666  -7.711  10.780
  178    HB2  SER  25           2HB      SER  25  -2.631  -8.841  10.089
  179    HB3  SER  25           1HB      SER  25  -1.922  -7.317   9.569
  180    HG   SER  25           HG       SER  25  -1.476  -8.313  11.806
  181    H    THR  26           H        THR  26  -2.222  -5.423   9.645
  182    HA   THR  26           HA       THR  26  -3.773  -3.167  10.812
  183    HB   THR  26           HB       THR  26  -1.237  -2.293  11.134
  184    HG1  THR  26           1HG      THR  26  -0.330  -4.292  10.474
  185   HG21  THR  26          3HG2      THR  26  -1.439  -2.916  13.507
  186   HG22  THR  26          1HG2      THR  26  -2.727  -4.055  13.112
  187   HG23  THR  26          2HG2      THR  26  -2.976  -2.324  12.872
  188    H    TRP  27           H        TRP  27  -3.321  -1.248  10.013
  189    HA   TRP  27           HA       TRP  27  -2.592  -1.237   7.223
  190    HB2  TRP  27           2HB      TRP  27  -4.019   0.538   7.793
  191    HB3  TRP  27           1HB      TRP  27  -3.127   0.905   9.266
  192    HD1  TRP  27           HD       TRP  27  -2.115   3.274   8.869
  193    HE1  TRP  27           1HE      TRP  27  -0.882   4.527   7.115
  194    HE3  TRP  27           3HE      TRP  27  -2.424  -0.218   5.312
  195    HZ2  TRP  27           2HZ      TRP  27  -0.265   4.176   4.505
  196    HZ3  TRP  27           3HZ      TRP  27  -1.583   0.416   3.087
  197    HH2  TRP  27           HH       TRP  27  -0.667   2.636   2.805
  198    H    SER  28           H        SER  28  -1.070  -0.039  10.223
  199    HA   SER  28           HA       SER  28   1.100   0.707   8.582
  200    HB2  SER  28           2HB      SER  28   2.226   1.323  10.567
  201    HB3  SER  28           1HB      SER  28   0.998   2.344   9.928
  202    HG   SER  28           HG       SER  28   1.161   1.448  12.407
  203    H    LEU  29           H        LEU  29   0.807  -1.920  10.922
  204    HA   LEU  29           HA       LEU  29   3.534  -2.369  11.251
  205    HB2  LEU  29           2HB      LEU  29   1.315  -3.808  11.888
  206    HB3  LEU  29           1HB      LEU  29   1.913  -4.764  10.550
  207    HG   LEU  29           HG       LEU  29   2.656  -5.637  12.722
  208   HD11  LEU  29          1HD1      LEU  29   5.037  -5.838  12.222
  209   HD12  LEU  29          2HD1      LEU  29   4.901  -4.523  11.052
  210   HD13  LEU  29          3HD1      LEU  29   4.050  -6.042  10.774
  211   HD21  LEU  29          3HD2      LEU  29   4.287  -4.390  14.052
  212   HD22  LEU  29          1HD2      LEU  29   2.742  -3.546  13.959
  213   HD23  LEU  29          2HD2      LEU  29   4.103  -3.004  12.977
  214    H    GLN  30           H        GLN  30   1.445  -2.572   8.610
  215    HA   GLN  30           HA       GLN  30   3.350  -3.760   6.780
  216    HB2  GLN  30           2HB      GLN  30   0.555  -2.672   6.329
  217    HB3  GLN  30           1HB      GLN  30   1.542  -3.517   5.111
  218    HG2  GLN  30           2HG      GLN  30  -0.184  -4.962   6.134
  219    HG3  GLN  30           1HG      GLN  30   1.435  -5.566   6.373
  220   HE21  GLN  30          1HE2      GLN  30   1.058  -6.832   8.115
  221   HE22  GLN  30          2HE2      GLN  30   0.551  -6.224   9.650
  222    H    SER  31           H        SER  31   1.731  -0.602   7.280
  223    HA   SER  31           HA       SER  31   3.286   0.667   5.306
  224    HB2  SER  31           2HB      SER  31   2.190   2.776   5.957
  225    HB3  SER  31           1HB      SER  31   1.149   1.503   5.343
  226    HG   SER  31           HG       SER  31   0.277   2.416   7.214
  227    H    LYS  32           H        LYS  32   3.553   0.877   8.799
  228    HA   LYS  32           HA       LYS  32   5.631   2.827   8.683
  229    HB2  LYS  32           2HB      LYS  32   6.205   2.171  10.949
  230    HB3  LYS  32           1HB      LYS  32   4.458   2.282  10.809
  231    HG2  LYS  32           2HG      LYS  32   4.333  -0.162  10.619
  232    HG3  LYS  32           1HG      LYS  32   6.082  -0.259  10.802
  233    HD2  LYS  32           2HD      LYS  32   4.218   0.966  12.835
  234    HD3  LYS  32           1HD      LYS  32   4.814  -0.693  12.903
  235    HE2  LYS  32           2HE      LYS  32   6.615   1.720  12.820
  236    HE3  LYS  32           1HE      LYS  32   6.073   0.959  14.316
  237    HZ1  LYS  32           3HZ      LYS  32   7.166  -1.062  13.709
  238    HZ2  LYS  32           1HZ      LYS  32   8.282   0.206  13.560
  239    HZ3  LYS  32           2HZ      LYS  32   7.569  -0.460  12.172
  240    H    LYS  33           H        LYS  33   5.265  -0.159   7.530
  241    HA   LYS  33           HA       LYS  33   8.083  -0.995   7.809
  242    HB2  LYS  33           2HB      LYS  33   6.484  -2.733   8.311
  243    HB3  LYS  33           1HB      LYS  33   5.637  -2.457   6.796
  244    HG2  LYS  33           2HG      LYS  33   7.658  -3.218   5.586
  245    HG3  LYS  33           1HG      LYS  33   8.398  -3.609   7.140
  246    HD2  LYS  33           2HD      LYS  33   5.789  -4.757   6.154
  247    HD3  LYS  33           1HD      LYS  33   7.351  -5.557   5.988
  248    HE2  LYS  33           2HE      LYS  33   6.119  -4.730   8.614
  249    HE3  LYS  33           1HE      LYS  33   6.011  -6.349   7.926
  250    HZ1  LYS  33           3HZ      LYS  33   8.437  -6.480   7.990
  251    HZ2  LYS  33           1HZ      LYS  33   7.783  -6.231   9.532
  252    HZ3  LYS  33           2HZ      LYS  33   8.510  -4.947   8.707
  253    H    ILE  34           H        ILE  34   5.605  -0.507   5.279
  254    HA   ILE  34           HA       ILE  34   7.591  -0.559   3.183
  255    HB   ILE  34           HB       ILE  34   5.854  -0.281   1.631
  256   HG12  ILE  34          2HG1      ILE  34   3.682   0.410   3.604
  257   HG13  ILE  34          1HG1      ILE  34   4.816   1.656   3.131
  258   HG21  ILE  34          1HG2      ILE  34   4.160  -1.923   2.270
  259   HG22  ILE  34          2HG2      ILE  34   4.712  -1.821   3.942
  260   HG23  ILE  34          3HG2      ILE  34   5.794  -2.437   2.693
  261   HD11  ILE  34          3HD1      ILE  34   4.259   1.262   0.788
  262   HD12  ILE  34          1HD1      ILE  34   2.819   1.636   1.736
  263   HD13  ILE  34          2HD1      ILE  34   3.158  -0.030   1.269
  264    H    GLU  35           H        GLU  35   6.724   1.639   5.420
  265    HA   GLU  35           HA       GLU  35   6.163   4.045   4.355
  266    HB2  GLU  35           2HB      GLU  35   6.473   3.505   6.775
  267    HB3  GLU  35           1HB      GLU  35   8.209   3.683   6.535
  268    HG2  GLU  35           2HG      GLU  35   7.740   5.988   5.687
  269    HG3  GLU  35           1HG      GLU  35   6.099   5.759   6.220
  270    H    ASN  36           H        ASN  36   9.453   3.567   5.378
  271    HA   ASN  36           HA       ASN  36  10.544   5.674   3.961
  272    HB2  ASN  36           2HB      ASN  36  11.543   4.450   5.924
  273    HB3  ASN  36           1HB      ASN  36  12.070   3.209   4.793
  274   HD21  ASN  36          1HD2      ASN  36  12.480   6.489   5.856
  275   HD22  ASN  36          2HD2      ASN  36  13.986   6.778   5.047
  276    H    ASP  37           H        ASP  37   9.591   2.676   2.663
  277    HA   ASP  37           HA       ASP  37  11.543   2.408   0.612
  278    HB2  ASP  37           2HB      ASP  37   8.744   1.309   0.904
  279    HB3  ASP  37           1HB      ASP  37   9.780   0.935  -0.468
  280    HA   PRO  38           HA       PRO  38  10.113   5.306  -2.402
  281    HB2  PRO  38           2HB      PRO  38  10.600   3.410  -4.571
  282    HB3  PRO  38           1HB      PRO  38  11.477   4.886  -4.164
  283    HG2  PRO  38           2HG      PRO  38  12.543   2.423  -3.837
  284    HG3  PRO  38           1HG      PRO  38  12.947   3.785  -2.776
  285    HD2  PRO  38           2HD      PRO  38  11.056   1.511  -2.305
  286    HD3  PRO  38           1HD      PRO  38  12.217   2.262  -1.188
  287    H    ASP  39           H        ASP  39   8.541   2.338  -1.964
  288    HA   ASP  39           HA       ASP  39   6.707   2.583  -4.179
  289    HB2  ASP  39           2HB      ASP  39   5.742   0.542  -3.439
  290    HB3  ASP  39           1HB      ASP  39   7.475   0.376  -3.190
  291    H    PHE  40           H        PHE  40   6.563   2.988  -0.648
  292    HA   PHE  40           HA       PHE  40   3.961   3.787  -0.218
  293    HB2  PHE  40           2HB      PHE  40   6.284   3.818   1.192
  294    HB3  PHE  40           1HB      PHE  40   6.051   5.536   0.944
  295    HD1  PHE  40           1HD      PHE  40   3.177   3.192   1.548
  296    HD2  PHE  40           2HD      PHE  40   5.877   6.052   3.199
  297    HE1  PHE  40           1HE      PHE  40   1.913   3.193   3.611
  298    HE2  PHE  40           2HE      PHE  40   4.574   6.048   5.275
  299    HZ   PHE  40           HZ       PHE  40   2.630   4.572   5.474
  300    H    TYR  41           H        TYR  41   6.585   5.641  -1.663
  301    HA   TYR  41           HA       TYR  41   5.066   8.101  -1.679
  302    HB2  TYR  41           2HB      TYR  41   7.846   7.377  -2.588
  303    HB3  TYR  41           1HB      TYR  41   7.148   8.970  -2.862
  304    HD1  TYR  41           1HD      TYR  41   8.065   6.555  -0.185
  305    HD2  TYR  41           2HD      TYR  41   7.184  10.594  -1.178
  306    HE1  TYR  41           1HE      TYR  41   8.798   7.262   2.055
  307    HE2  TYR  41           2HE      TYR  41   7.913  11.313   1.054
  308    HH   TYR  41           HH       TYR  41   9.591   9.229   3.211
  309    H    LYS  42           H        LYS  42   4.419   5.630  -3.456
  310    HA   LYS  42           HA       LYS  42   4.640   6.758  -6.102
  311    HB2  LYS  42           2HB      LYS  42   3.375   4.269  -5.003
  312    HB3  LYS  42           1HB      LYS  42   3.081   4.770  -6.662
  313    HG2  LYS  42           2HG      LYS  42   5.778   4.201  -5.442
  314    HG3  LYS  42           1HG      LYS  42   4.885   3.138  -6.534
  315    HD2  LYS  42           2HD      LYS  42   5.006   4.825  -8.290
  316    HD3  LYS  42           1HD      LYS  42   5.859   5.919  -7.200
  317    HE2  LYS  42           2HE      LYS  42   7.699   4.306  -7.041
  318    HE3  LYS  42           1HE      LYS  42   6.843   3.228  -8.144
  319    HZ1  LYS  42           3HZ      LYS  42   8.530   4.537  -9.292
  320    HZ2  LYS  42           1HZ      LYS  42   7.777   5.975  -8.798
  321    HZ3  LYS  42           2HZ      LYS  42   6.981   4.916  -9.858
  322    H    ILE  43           H        ILE  43   2.223   6.662  -3.576
  323    HA   ILE  43           HA       ILE  43   0.271   7.872  -5.395
  324    HB   ILE  43           HB       ILE  43  -0.101   6.904  -2.552
  325   HG12  ILE  43          2HG1      ILE  43   0.144   5.034  -4.013
  326   HG13  ILE  43          1HG1      ILE  43  -1.579   5.213  -3.697
  327   HG21  ILE  43          1HG2      ILE  43  -2.499   7.264  -2.945
  328   HG22  ILE  43          2HG2      ILE  43  -2.124   7.999  -4.504
  329   HG23  ILE  43          3HG2      ILE  43  -1.586   8.770  -3.011
  330   HD11  ILE  43          3HD1      ILE  43  -0.126   6.117  -6.169
  331   HD12  ILE  43          1HD1      ILE  43  -1.851   6.308  -5.861
  332   HD13  ILE  43          2HD1      ILE  43  -1.157   4.693  -6.023
  333    H    ARG  44           H        ARG  44  -0.430   9.918  -5.204
  334    HA   ARG  44           HA       ARG  44   1.284  11.836  -4.131
  335    HB2  ARG  44           2HB      ARG  44  -0.322  13.483  -4.836
  336    HB3  ARG  44           1HB      ARG  44  -0.250  12.215  -6.045
  337    HG2  ARG  44           2HG      ARG  44  -2.377  12.327  -3.920
  338    HG3  ARG  44           1HG      ARG  44  -2.539  13.107  -5.492
  339    HD2  ARG  44           2HD      ARG  44  -2.426  10.996  -6.623
  340    HD3  ARG  44           1HD      ARG  44  -1.996  10.162  -5.129
  341    HE   ARG  44           HE       ARG  44  -4.421  11.362  -4.628
  342   HH11  ARG  44          1HH1      ARG  44  -3.258   9.010  -6.971
  343   HH12  ARG  44          2HH1      ARG  44  -4.786   8.185  -7.091
  344   HH21  ARG  44          1HH2      ARG  44  -6.413  10.304  -4.798
  345   HH22  ARG  44          2HH2      ARG  44  -6.578   8.932  -5.862
  346    H    ASP  45           H        ASP  45  -1.308  10.124  -2.624
  347    HA   ASP  45           HA       ASP  45  -1.072  11.884  -0.277
  348    HB2  ASP  45           2HB      ASP  45  -3.590  10.488  -1.214
  349    HB3  ASP  45           1HB      ASP  45  -3.432  11.421   0.266
  350    H    ASP  46           H        ASP  46  -0.581  10.882   1.584
  351    HA   ASP  46           HA       ASP  46  -0.260   8.049   1.805
  352    HB2  ASP  46           2HB      ASP  46   1.011   9.610   3.222
  353    HB3  ASP  46           1HB      ASP  46  -0.482  10.177   3.963
  354    H    THR  47           H        THR  47  -2.829  10.289   2.286
  355    HA   THR  47           HA       THR  47  -4.569   8.724   3.861
  356    HB   THR  47           HB       THR  47  -5.562  10.718   1.852
  357    HG1  THR  47           1HG      THR  47  -4.558  12.333   2.842
  358   HG21  THR  47          3HG2      THR  47  -7.173   9.605   3.335
  359   HG22  THR  47          1HG2      THR  47  -7.062  11.329   3.696
  360   HG23  THR  47          2HG2      THR  47  -6.261  10.157   4.740
  361    H    VAL  48           H        VAL  48  -3.547   8.322   0.677
  362    HA   VAL  48           HA       VAL  48  -5.941   6.767  -0.020
  363    HB   VAL  48           HB       VAL  48  -3.694   7.678  -1.834
  364   HG11  VAL  48          1HG1      VAL  48  -5.166   6.985  -3.664
  365   HG12  VAL  48          2HG1      VAL  48  -6.335   6.377  -2.492
  366   HG13  VAL  48          3HG1      VAL  48  -4.745   5.626  -2.621
  367   HG21  VAL  48          3HG2      VAL  48  -6.498   8.746  -1.526
  368   HG22  VAL  48          1HG2      VAL  48  -5.338   9.253  -2.754
  369   HG23  VAL  48          2HG2      VAL  48  -5.011   9.565  -1.049
  370    H    ARG  49           H        ARG  49  -2.618   6.589   0.817
  371    HA   ARG  49           HA       ARG  49  -1.836   4.129  -0.308
  372    HB2  ARG  49           2HB      ARG  49  -1.025   5.467   2.286
  373    HB3  ARG  49           1HB      ARG  49  -0.211   4.078   1.624
  374    HG2  ARG  49           2HG      ARG  49   0.448   5.357  -0.321
  375    HG3  ARG  49           1HG      ARG  49  -0.425   6.739   0.324
  376    HD2  ARG  49           2HD      ARG  49   1.020   6.575   2.365
  377    HD3  ARG  49           1HD      ARG  49   1.977   5.383   1.503
  378    HE   ARG  49           HE       ARG  49   2.134   7.385  -0.199
  379   HH11  ARG  49          1HH1      ARG  49   2.314   7.487   3.296
  380   HH12  ARG  49          2HH1      ARG  49   3.457   8.802   3.326
  381   HH21  ARG  49          1HH2      ARG  49   3.636   9.128  -0.170
  382   HH22  ARG  49          2HH2      ARG  49   4.209   9.730   1.364
  383    H    GLU  50           H        GLU  50  -3.260   4.830   2.903
  384    HA   GLU  50           HA       GLU  50  -3.397   1.994   3.319
  385    HB2  GLU  50           2HB      GLU  50  -4.854   3.009   5.304
  386    HB3  GLU  50           1HB      GLU  50  -3.245   2.550   5.414
  387    HG2  GLU  50           2HG      GLU  50  -3.652   4.523   6.420
  388    HG3  GLU  50           1HG      GLU  50  -2.517   4.753   5.219
  389    H    SER  51           H        SER  51  -5.554   4.461   2.246
  390    HA   SER  51           HA       SER  51  -7.873   2.892   2.174
  391    HB2  SER  51           2HB      SER  51  -6.837   4.866   0.126
  392    HB3  SER  51           1HB      SER  51  -8.467   4.193   0.124
  393    HG   SER  51           HG       SER  51  -7.755   5.245   2.547
  394    H    LEU  52           H        LEU  52  -4.847   2.282   0.730
  395    HA   LEU  52           HA       LEU  52  -5.809   1.099  -1.601
  396    HB2  LEU  52           2HB      LEU  52  -3.251   1.650  -0.453
  397    HB3  LEU  52           1HB      LEU  52  -3.271   0.218  -1.356
  398    HG   LEU  52           HG       LEU  52  -3.157   1.351  -3.328
  399   HD11  LEU  52          1HD1      LEU  52  -5.567   1.746  -3.238
  400   HD12  LEU  52          2HD1      LEU  52  -4.722   3.130  -3.931
  401   HD13  LEU  52          3HD1      LEU  52  -5.300   3.194  -2.266
  402   HD21  LEU  52          3HD2      LEU  52  -1.630   2.729  -2.008
  403   HD22  LEU  52          1HD2      LEU  52  -2.969   3.782  -1.553
  404   HD23  LEU  52          2HD2      LEU  52  -2.457   3.684  -3.239
  405    H    PHE  53           H        PHE  53  -4.182   0.154   0.844
  406    HA   PHE  53           HA       PHE  53  -3.862  -2.399   1.018
  407    HB2  PHE  53           2HB      PHE  53  -3.154  -0.894   2.501
  408    HB3  PHE  53           1HB      PHE  53  -4.610   0.108   2.178
  409    HD1  PHE  53           1HD      PHE  53  -6.592  -0.379   3.562
  410    HD2  PHE  53           2HD      PHE  53  -2.915  -2.271   4.314
  411    HE1  PHE  53           1HE      PHE  53  -7.411  -1.003   5.825
  412    HE2  PHE  53           2HE      PHE  53  -3.679  -2.927   6.581
  413    HZ   PHE  53           HZ       PHE  53  -5.939  -2.287   7.337
  414    H    GLU  54           H        GLU  54  -6.859  -0.612   1.748
  415    HA   GLU  54           HA       GLU  54  -8.429  -2.750   2.682
  416    HB2  GLU  54           2HB      GLU  54  -9.780  -0.545   1.226
  417    HB3  GLU  54           1HB      GLU  54 -10.158  -1.257   2.784
  418    HG2  GLU  54           2HG      GLU  54  -8.179  -0.085   3.723
  419    HG3  GLU  54           1HG      GLU  54  -8.002   0.727   2.161
  420    H    GLU  55           H        GLU  55  -8.276  -1.190  -0.479
  421    HA   GLU  55           HA       GLU  55 -10.223  -2.763  -1.740
  422    HB2  GLU  55           2HB      GLU  55  -7.882  -1.185  -2.784
  423    HB3  GLU  55           1HB      GLU  55  -8.957  -2.062  -3.864
  424    HG2  GLU  55           2HG      GLU  55 -10.008  -0.079  -1.884
  425    HG3  GLU  55           1HG      GLU  55  -9.405   0.416  -3.467
  426    H    TRP  56           H        TRP  56  -6.689  -3.101  -1.730
  427    HA   TRP  56           HA       TRP  56  -6.498  -5.406  -3.307
  428    HB2  TRP  56           2HB      TRP  56  -4.644  -4.003  -2.868
  429    HB3  TRP  56           1HB      TRP  56  -4.777  -4.348  -1.172
  430    HD1  TRP  56           HD       TRP  56  -4.022  -6.710  -4.063
  431    HE1  TRP  56           1HE      TRP  56  -2.223  -8.354  -3.239
  432    HE3  TRP  56           3HE      TRP  56  -3.449  -4.348  -0.455
  433    HZ2  TRP  56           2HZ      TRP  56  -0.503  -8.230  -0.914
  434    HZ3  TRP  56           3HZ      TRP  56  -1.754  -4.645   0.642
  435    HH2  TRP  56           HH       TRP  56  -0.231  -6.551   0.857
  436    H    CYS  57           H        CYS  57  -7.138  -4.881  -0.059
  437    HA   CYS  57           HA       CYS  57  -6.482  -7.304   1.170
  438    HB2  CYS  57           2HB      CYS  57  -6.954  -5.189   2.386
  439    HB3  CYS  57           1HB      CYS  57  -8.654  -5.341   1.966
  440    HG   CYS  57           HG       CYS  57  -7.963  -5.999   4.718
  441    H    GLY  58           H        GLY  58  -9.581  -6.041  -0.056
  442    HA2  GLY  58           2HA      GLY  58 -10.597  -8.817  -0.206
  443    HA3  GLY  58           1HA      GLY  58 -11.616  -7.385  -0.078
  444    H    GLU  59           H        GLU  59  -8.779  -7.825  -2.061
  445    HA   GLU  59           HA       GLU  59 -10.226  -6.811  -4.360
  446    HB2  GLU  59           2HB      GLU  59  -7.707  -6.395  -3.293
  447    HB3  GLU  59           1HB      GLU  59  -7.381  -7.518  -4.641
  448    HG2  GLU  59           2HG      GLU  59  -8.124  -4.686  -4.672
  449    HG3  GLU  59           1HG      GLU  59  -7.202  -5.629  -5.837
  Start of MODEL    9
    1    H1   ASP   5           H        ASP   5  -6.803   6.615 -10.844
    2    HA   ASP   5           HA       ASP   5  -9.685   6.211 -10.875
    3    HB2  ASP   5           2HB      ASP   5  -8.131   6.978 -13.348
    4    HB3  ASP   5           1HB      ASP   5  -9.636   6.076 -13.437
    5    H    ILE   6           H        ILE   6  -9.121   4.316  -9.856
    6    HA   ILE   6           HA       ILE   6  -7.879   2.381  -9.448
    7    HB   ILE   6           HB       ILE   6  -8.807   0.552 -10.804
    8   HG12  ILE   6          2HG1      ILE   6 -10.459   2.722 -12.119
    9   HG13  ILE   6          1HG1      ILE   6  -9.155   1.841 -12.909
   10   HG21  ILE   6          1HG2      ILE   6 -10.776   2.502  -9.620
   11   HG22  ILE   6          2HG2      ILE   6  -9.860   1.271  -8.750
   12   HG23  ILE   6          3HG2      ILE   6 -11.090   0.793  -9.918
   13   HD11  ILE   6          3HD1      ILE   6 -11.334   0.975 -13.542
   14   HD12  ILE   6          1HD1      ILE   6 -11.701   0.633 -11.849
   15   HD13  ILE   6          2HD1      ILE   6 -10.399  -0.235 -12.665
   16    H    ASP   7           H        ASP   7  -5.814   2.639  -9.825
   17    HA   ASP   7           HA       ASP   7  -4.607   1.147 -11.760
   18    HB2  ASP   7           2HB      ASP   7  -4.995   2.935 -13.296
   19    HB3  ASP   7           1HB      ASP   7  -4.256   4.029 -12.132
   20    H    GLU   8           H        GLU   8  -4.187   3.608 -10.361
   21    HA   GLU   8           HA       GLU   8  -1.548   3.486  -9.300
   22    HB2  GLU   8           2HB      GLU   8  -2.036   5.513  -8.090
   23    HB3  GLU   8           1HB      GLU   8  -2.763   5.624  -9.684
   24    HG2  GLU   8           2HG      GLU   8  -4.198   4.974  -7.119
   25    HG3  GLU   8           1HG      GLU   8  -4.243   6.518  -7.972
   26    H    ARG   9           H        ARG   9  -4.708   2.866  -7.876
   27    HA   ARG   9           HA       ARG   9  -3.798   2.348  -5.258
   28    HB2  ARG   9           2HB      ARG   9  -6.005   1.586  -4.835
   29    HB3  ARG   9           1HB      ARG   9  -6.162   2.860  -6.011
   30    HG2  ARG   9           2HG      ARG   9  -6.293   1.060  -7.762
   31    HG3  ARG   9           1HG      ARG   9  -6.435  -0.095  -6.434
   32    HD2  ARG   9           2HD      ARG   9  -8.634   0.476  -7.194
   33    HD3  ARG   9           1HD      ARG   9  -8.382   1.213  -5.607
   34    HE   ARG   9           HE       ARG   9  -7.999   2.709  -8.102
   35   HH11  ARG   9          1HH1      ARG   9  -9.432   2.352  -4.915
   36   HH12  ARG   9          2HH1      ARG   9 -10.050   3.987  -4.877
   37   HH21  ARG   9          1HH2      ARG   9  -8.806   4.881  -8.016
   38   HH22  ARG   9          2HH2      ARG   9  -9.723   5.395  -6.638
   39    H    ASN  10           H        ASN  10  -4.459   0.236  -7.992
   40    HA   ASN  10           HA       ASN  10  -3.968  -2.246  -6.655
   41    HB2  ASN  10           2HB      ASN  10  -3.796  -1.645  -9.642
   42    HB3  ASN  10           1HB      ASN  10  -4.157  -3.193  -8.877
   43   HD21  ASN  10          1HD2      ASN  10  -5.385  -0.000  -9.605
   44   HD22  ASN  10          2HD2      ASN  10  -7.050  -0.325  -9.249
   45    H    ILE  11           H        ILE  11  -1.981   0.191  -8.034
   46    HA   ILE  11           HA       ILE  11   0.391  -1.255  -8.313
   47    HB   ILE  11           HB       ILE  11  -0.036   1.612  -7.460
   48   HG12  ILE  11          2HG1      ILE  11  -0.857   1.149  -9.698
   49   HG13  ILE  11          1HG1      ILE  11   0.616   2.106  -9.799
   50   HG21  ILE  11          1HG2      ILE  11   2.516   0.258  -8.313
   51   HG22  ILE  11          2HG2      ILE  11   2.142   0.859  -6.697
   52   HG23  ILE  11          3HG2      ILE  11   2.311   1.988  -8.043
   53   HD11  ILE  11          3HD1      ILE  11   0.378  -0.859 -10.262
   54   HD12  ILE  11          1HD1      ILE  11   1.879   0.065 -10.314
   55   HD13  ILE  11          2HD1      ILE  11   0.606   0.386 -11.492
   56    H    PHE  12           H        PHE  12  -1.155   0.199  -5.404
   57    HA   PHE  12           HA       PHE  12   1.187  -0.304  -3.842
   58    HB2  PHE  12           2HB      PHE  12  -1.544   0.709  -3.230
   59    HB3  PHE  12           1HB      PHE  12  -0.546   0.122  -1.900
   60    HD1  PHE  12           1HD      PHE  12   0.174   2.095  -4.996
   61    HD2  PHE  12           2HD      PHE  12   0.349   1.963  -0.726
   62    HE1  PHE  12           1HE      PHE  12   1.341   4.252  -4.967
   63    HE2  PHE  12           2HE      PHE  12   1.523   4.109  -0.713
   64    HZ   PHE  12           HZ       PHE  12   2.016   5.262  -2.831
   65    H    PHE  13           H        PHE  13  -2.062  -1.890  -3.684
   66    HA   PHE  13           HA       PHE  13  -1.899  -4.452  -2.371
   67    HB2  PHE  13           2HB      PHE  13  -2.219  -4.308  -5.054
   68    HB3  PHE  13           1HB      PHE  13  -3.128  -5.101  -4.021
   69    HD1  PHE  13           2HD      PHE  13  -3.284  -1.883  -2.845
   70    HD2  PHE  13           1HD      PHE  13  -4.659  -4.328  -6.050
   71    HE1  PHE  13           2HE      PHE  13  -5.275  -0.455  -3.105
   72    HE2  PHE  13           1HE      PHE  13  -6.653  -2.926  -6.276
   73    HZ   PHE  13           HZ       PHE  13  -6.966  -0.999  -4.813
   74    H    GLU  14           H        GLU  14  -0.464  -3.511  -5.609
   75    HA   GLU  14           HA       GLU  14   0.772  -5.998  -6.182
   76    HB2  GLU  14           2HB      GLU  14   0.411  -4.348  -7.903
   77    HB3  GLU  14           1HB      GLU  14   1.348  -3.166  -7.056
   78    HG2  GLU  14           2HG      GLU  14   2.568  -3.991  -8.962
   79    HG3  GLU  14           1HG      GLU  14   3.378  -4.432  -7.464
   80    H    LEU  15           H        LEU  15   2.080  -2.957  -5.113
   81    HA   LEU  15           HA       LEU  15   4.626  -3.836  -4.282
   82    HB2  LEU  15           2HB      LEU  15   3.153  -1.756  -2.712
   83    HB3  LEU  15           1HB      LEU  15   4.847  -1.816  -3.139
   84    HG   LEU  15           HG       LEU  15   2.629  -1.258  -5.072
   85   HD11  LEU  15          1HD1      LEU  15   3.380   1.069  -4.988
   86   HD12  LEU  15          2HD1      LEU  15   4.489   0.649  -3.683
   87   HD13  LEU  15          3HD1      LEU  15   2.750   0.510  -3.439
   88   HD21  LEU  15          3HD2      LEU  15   4.437  -0.514  -6.553
   89   HD22  LEU  15          1HD2      LEU  15   4.625  -2.212  -6.109
   90   HD23  LEU  15          2HD2      LEU  15   5.623  -0.982  -5.335
   91    H    PHE  16           H        PHE  16   1.406  -4.105  -2.872
   92    HA   PHE  16           HA       PHE  16   2.379  -4.351  -0.208
   93    HB2  PHE  16           2HB      PHE  16  -0.090  -4.305  -1.793
   94    HB3  PHE  16           1HB      PHE  16  -0.194  -4.866  -0.179
   95    HD1  PHE  16           2HD      PHE  16   2.052  -2.292   0.108
   96    HD2  PHE  16           1HD      PHE  16  -2.139  -2.918  -0.803
   97    HE1  PHE  16           2HE      PHE  16   1.504  -0.006   0.848
   98    HE2  PHE  16           1HE      PHE  16  -2.599  -0.657  -0.061
   99    HZ   PHE  16           HZ       PHE  16  -0.832   0.794   0.749
  100    H    ASP  17           H        ASP  17   1.490  -6.300  -2.925
  101    HA   ASP  17           HA       ASP  17   1.627  -8.824  -1.561
  102    HB2  ASP  17           2HB      ASP  17   0.326  -8.484  -3.670
  103    HB3  ASP  17           1HB      ASP  17   1.835  -8.195  -4.513
  104    H    ARG  18           H        ARG  18   3.617  -6.951  -3.691
  105    HA   ARG  18           HA       ARG  18   5.842  -8.502  -4.032
  106    HB2  ARG  18           2HB      ARG  18   5.393  -6.280  -5.046
  107    HB3  ARG  18           1HB      ARG  18   5.801  -5.532  -3.517
  108    HG2  ARG  18           2HG      ARG  18   8.059  -6.155  -3.691
  109    HG3  ARG  18           1HG      ARG  18   7.727  -7.270  -5.021
  110    HD2  ARG  18           2HD      ARG  18   7.469  -4.270  -5.081
  111    HD3  ARG  18           1HD      ARG  18   8.716  -5.232  -5.872
  112    HE   ARG  18           HE       ARG  18   5.918  -5.714  -6.582
  113   HH11  ARG  18          1HH1      ARG  18   9.026  -4.379  -7.428
  114   HH12  ARG  18          2HH1      ARG  18   8.693  -4.331  -9.131
  115   HH21  ARG  18          1HH2      ARG  18   5.446  -5.671  -8.796
  116   HH22  ARG  18          2HH2      ARG  18   6.633  -5.088  -9.921
  117    H    TYR  19           H        TYR  19   4.887  -6.695  -1.187
  118    HA   TYR  19           HA       TYR  19   7.432  -7.482   0.076
  119    HB2  TYR  19           2HB      TYR  19   5.695  -5.080   0.706
  120    HB3  TYR  19           1HB      TYR  19   7.174  -5.517   1.554
  121    HD1  TYR  19           1HD      TYR  19   9.156  -6.056  -0.346
  122    HD2  TYR  19           2HD      TYR  19   5.986  -3.246  -0.706
  123    HE1  TYR  19           1HE      TYR  19  10.477  -4.778  -1.980
  124    HE2  TYR  19           2HE      TYR  19   7.288  -1.970  -2.337
  125    HH   TYR  19           HH       TYR  19   9.388  -1.643  -3.186
  126    H    LYS  20           H        LYS  20   4.458  -8.466  -0.209
  127    HA   LYS  20           HA       LYS  20   2.999  -9.743   0.972
  128    HB2  LYS  20           2HB      LYS  20   5.551 -10.323   2.421
  129    HB3  LYS  20           1HB      LYS  20   4.081 -11.241   2.665
  130    HG2  LYS  20           2HG      LYS  20   5.244 -10.941  -0.075
  131    HG3  LYS  20           1HG      LYS  20   5.868 -12.157   1.044
  132    HD2  LYS  20           2HD      LYS  20   3.778 -13.253   1.172
  133    HD3  LYS  20           1HD      LYS  20   2.940 -11.902   0.405
  134    HE2  LYS  20           2HE      LYS  20   5.045 -13.555  -0.973
  135    HE3  LYS  20           1HE      LYS  20   3.321 -13.918  -1.053
  136    HZ1  LYS  20           3HZ      LYS  20   4.065 -12.625  -2.961
  137    HZ2  LYS  20           1HZ      LYS  20   4.580 -11.377  -1.934
  138    HZ3  LYS  20           2HZ      LYS  20   2.937 -11.760  -2.037
  139    H    LEU  21           H        LEU  21   1.980  -7.736   1.745
  140    HA   LEU  21           HA       LEU  21   2.659  -6.865   4.413
  141    HB2  LEU  21           2HB      LEU  21   0.446  -6.197   2.504
  142    HB3  LEU  21           1HB      LEU  21   0.572  -5.498   4.100
  143    HG   LEU  21           HG       LEU  21   1.341  -4.182   2.098
  144   HD11  LEU  21          1HD1      LEU  21   1.742  -3.454   4.351
  145   HD12  LEU  21          2HD1      LEU  21   3.157  -3.114   3.355
  146   HD13  LEU  21          3HD1      LEU  21   3.161  -4.490   4.461
  147   HD21  LEU  21          3HD2      LEU  21   2.795  -5.752   0.995
  148   HD22  LEU  21          1HD2      LEU  21   3.791  -5.895   2.445
  149   HD23  LEU  21          2HD2      LEU  21   3.745  -4.375   1.550
  150    H    ASP  22           H        ASP  22   1.069  -6.748   6.080
  151    HA   ASP  22           HA       ASP  22  -0.982  -8.846   5.954
  152    HB2  ASP  22           2HB      ASP  22   0.148  -7.222   8.209
  153    HB3  ASP  22           1HB      ASP  22  -1.408  -8.018   8.381
  154    H    LYS  23           H        LYS  23  -2.454  -8.145   4.753
  155    HA   LYS  23           HA       LYS  23  -2.959  -5.382   4.335
  156    HB2  LYS  23           2HB      LYS  23  -3.558  -7.730   2.992
  157    HB3  LYS  23           1HB      LYS  23  -5.116  -7.004   3.390
  158    HG2  LYS  23           2HG      LYS  23  -3.022  -6.071   1.522
  159    HG3  LYS  23           1HG      LYS  23  -4.777  -5.764   1.550
  160    HD2  LYS  23           2HD      LYS  23  -3.986  -3.673   1.983
  161    HD3  LYS  23           1HD      LYS  23  -4.096  -4.285   3.636
  162    HE2  LYS  23           2HE      LYS  23  -1.562  -5.027   2.509
  163    HE3  LYS  23           1HE      LYS  23  -1.816  -3.290   2.292
  164    HZ1  LYS  23           3HZ      LYS  23  -0.735  -3.690   4.378
  165    HZ2  LYS  23           1HZ      LYS  23  -1.935  -4.781   4.861
  166    HZ3  LYS  23           2HZ      LYS  23  -2.303  -3.142   4.684
  167    H    PHE  24           H        PHE  24  -4.283  -7.768   6.468
  168    HA   PHE  24           HA       PHE  24  -6.696  -6.271   7.059
  169    HB2  PHE  24           2HB      PHE  24  -5.564  -8.786   8.299
  170    HB3  PHE  24           1HB      PHE  24  -7.138  -8.098   8.671
  171    HD1  PHE  24           1HD      PHE  24  -5.135  -9.800   6.098
  172    HD2  PHE  24           2HD      PHE  24  -8.998  -8.392   7.207
  173    HE1  PHE  24           1HE      PHE  24  -6.132 -11.110   4.270
  174    HE2  PHE  24           2HE      PHE  24 -10.000  -9.700   5.379
  175    HZ   PHE  24           HZ       PHE  24  -8.568 -11.063   3.910
  176    H    SER  25           H        SER  25  -3.714  -7.171   8.744
  177    HA   SER  25           HA       SER  25  -4.329  -6.640  11.332
  178    HB2  SER  25           2HB      SER  25  -2.245  -7.681  10.519
  179    HB3  SER  25           1HB      SER  25  -1.657  -6.093  10.039
  180    HG   SER  25           HG       SER  25  -1.289  -7.198  12.324
  181    H    THR  26           H        THR  26  -2.191  -4.270   9.727
  182    HA   THR  26           HA       THR  26  -3.837  -2.059  10.759
  183    HB   THR  26           HB       THR  26  -1.368  -1.063  11.315
  184    HG1  THR  26           1HG      THR  26  -1.053  -3.376  12.764
  185   HG21  THR  26          3HG2      THR  26  -1.952  -1.378  13.690
  186   HG22  THR  26          1HG2      THR  26  -3.176  -2.565  13.244
  187   HG23  THR  26          2HG2      THR  26  -3.353  -0.883  12.742
  188    H    TRP  27           H        TRP  27  -3.435  -0.188   9.901
  189    HA   TRP  27           HA       TRP  27  -2.665  -0.297   7.154
  190    HB2  TRP  27           2HB      TRP  27  -4.197   1.428   7.644
  191    HB3  TRP  27           1HB      TRP  27  -3.276   1.959   9.053
  192    HD1  TRP  27           HD       TRP  27  -2.293   4.300   8.450
  193    HE1  TRP  27           1HE      TRP  27  -1.154   5.429   6.545
  194    HE3  TRP  27           3HE      TRP  27  -2.776   0.570   5.160
  195    HZ2  TRP  27           2HZ      TRP  27  -0.632   4.882   3.952
  196    HZ3  TRP  27           3HZ      TRP  27  -2.020   1.042   2.868
  197    HH2  TRP  27           HH       TRP  27  -1.118   3.232   2.397
  198    H    SER  28           H        SER  28  -1.205   1.171  10.061
  199    HA   SER  28           HA       SER  28   0.943   1.877   8.397
  200    HB2  SER  28           2HB      SER  28   2.035   2.535  10.396
  201    HB3  SER  28           1HB      SER  28   0.883   3.544   9.637
  202    HG   SER  28           HG       SER  28   0.477   1.895  11.942
  203    H    LEU  29           H        LEU  29   0.581  -0.728  10.687
  204    HA   LEU  29           HA       LEU  29   3.224  -1.403  11.040
  205    HB2  LEU  29           2HB      LEU  29   0.956  -2.768  11.445
  206    HB3  LEU  29           1HB      LEU  29   1.421  -3.525   9.937
  207    HG   LEU  29           HG       LEU  29   2.130  -4.860  11.851
  208   HD11  LEU  29          1HD1      LEU  29   4.513  -5.098  11.318
  209   HD12  LEU  29          2HD1      LEU  29   4.443  -3.594  10.398
  210   HD13  LEU  29          3HD1      LEU  29   3.506  -4.992   9.873
  211   HD21  LEU  29          3HD2      LEU  29   2.362  -3.094  13.495
  212   HD22  LEU  29          1HD2      LEU  29   3.760  -2.446  12.629
  213   HD23  LEU  29          2HD2      LEU  29   3.846  -4.036  13.385
  214    H    GLN  30           H        GLN  30   1.220  -1.295   8.307
  215    HA   GLN  30           HA       GLN  30   3.196  -2.359   6.453
  216    HB2  GLN  30           2HB      GLN  30   0.522  -1.139   5.794
  217    HB3  GLN  30           1HB      GLN  30   1.528  -2.130   4.749
  218    HG2  GLN  30           2HG      GLN  30  -0.325  -2.921   6.868
  219    HG3  GLN  30           1HG      GLN  30   0.038  -3.710   5.387
  220   HE21  GLN  30          1HE2      GLN  30  -0.209  -4.671   8.169
  221   HE22  GLN  30          2HE2      GLN  30   1.252  -5.551   8.489
  222    H    SER  31           H        SER  31   1.485   0.694   6.979
  223    HA   SER  31           HA       SER  31   3.006   2.042   5.098
  224    HB2  SER  31           2HB      SER  31   2.010   4.154   6.060
  225    HB3  SER  31           1HB      SER  31   0.981   3.006   5.212
  226    HG   SER  31           HG       SER  31  -0.023   3.553   7.088
  227    H    LYS  32           H        LYS  32   3.366   2.202   8.608
  228    HA   LYS  32           HA       LYS  32   5.328   4.242   8.463
  229    HB2  LYS  32           2HB      LYS  32   5.919   3.717  10.742
  230    HB3  LYS  32           1HB      LYS  32   4.175   3.668  10.584
  231    HG2  LYS  32           2HG      LYS  32   4.722   1.869  11.970
  232    HG3  LYS  32           1HG      LYS  32   4.409   1.145  10.395
  233    HD2  LYS  32           2HD      LYS  32   6.777   0.947   9.969
  234    HD3  LYS  32           1HD      LYS  32   7.151   1.803  11.466
  235    HE2  LYS  32           2HE      LYS  32   5.631  -0.790  11.362
  236    HE3  LYS  32           1HE      LYS  32   7.381  -0.695  11.563
  237    HZ1  LYS  32           3HZ      LYS  32   5.320   0.411  13.400
  238    HZ2  LYS  32           1HZ      LYS  32   6.989   0.662  13.563
  239    HZ3  LYS  32           2HZ      LYS  32   6.350  -0.903  13.695
  240    H    LYS  33           H        LYS  33   5.282   1.159   7.344
  241    HA   LYS  33           HA       LYS  33   8.243   0.983   7.513
  242    HB2  LYS  33           2HB      LYS  33   8.210  -1.365   7.236
  243    HB3  LYS  33           1HB      LYS  33   6.990  -0.996   8.444
  244    HG2  LYS  33           2HG      LYS  33   5.232  -1.317   6.842
  245    HG3  LYS  33           1HG      LYS  33   6.403  -1.515   5.542
  246    HD2  LYS  33           2HD      LYS  33   6.364  -3.333   7.933
  247    HD3  LYS  33           1HD      LYS  33   5.346  -3.626   6.524
  248    HE2  LYS  33           2HE      LYS  33   7.389  -3.606   5.115
  249    HE3  LYS  33           1HE      LYS  33   8.353  -3.465   6.584
  250    HZ1  LYS  33           3HZ      LYS  33   8.104  -5.770   5.705
  251    HZ2  LYS  33           1HZ      LYS  33   6.455  -5.689   6.091
  252    HZ3  LYS  33           2HZ      LYS  33   7.617  -5.578   7.321
  253    H    ILE  34           H        ILE  34   5.519   0.693   5.209
  254    HA   ILE  34           HA       ILE  34   7.343   0.295   3.044
  255    HB   ILE  34           HB       ILE  34   5.557   0.321   1.513
  256   HG12  ILE  34          2HG1      ILE  34   3.356   1.053   3.442
  257   HG13  ILE  34          1HG1      ILE  34   4.383   2.334   2.805
  258   HG21  ILE  34          1HG2      ILE  34   5.731  -1.686   2.792
  259   HG22  ILE  34          2HG2      ILE  34   4.038  -1.364   2.419
  260   HG23  ILE  34          3HG2      ILE  34   4.663  -1.034   4.035
  261   HD11  ILE  34          3HD1      ILE  34   2.402   1.977   1.446
  262   HD12  ILE  34          1HD1      ILE  34   2.863   0.295   1.195
  263   HD13  ILE  34          2HD1      ILE  34   3.861   1.591   0.532
  264    H    GLU  35           H        GLU  35   6.262   3.064   4.704
  265    HA   GLU  35           HA       GLU  35   6.580   5.012   2.710
  266    HB2  GLU  35           2HB      GLU  35   7.253   6.555   4.597
  267    HB3  GLU  35           1HB      GLU  35   5.694   5.764   4.758
  268    HG2  GLU  35           2HG      GLU  35   6.463   4.310   6.391
  269    HG3  GLU  35           1HG      GLU  35   8.163   4.660   6.040
  270    H    ASN  36           H        ASN  36   8.958   3.136   4.402
  271    HA   ASN  36           HA       ASN  36  11.120   4.858   3.553
  272    HB2  ASN  36           2HB      ASN  36  11.061   2.178   4.941
  273    HB3  ASN  36           1HB      ASN  36  12.567   2.920   4.408
  274   HD21  ASN  36          1HD2      ASN  36   9.973   3.023   6.683
  275   HD22  ASN  36          2HD2      ASN  36  10.642   4.245   7.711
  276    H    ASP  37           H        ASP  37   9.182   2.721   2.040
  277    HA   ASP  37           HA       ASP  37  11.190   2.058   0.009
  278    HB2  ASP  37           2HB      ASP  37   8.320   1.138   0.380
  279    HB3  ASP  37           1HB      ASP  37   9.320   0.676  -0.996
  280    HA   PRO  38           HA       PRO  38   9.784   5.489  -2.441
  281    HB2  PRO  38           2HB      PRO  38  10.402   4.550  -4.929
  282    HB3  PRO  38           1HB      PRO  38  11.608   5.182  -3.801
  283    HG2  PRO  38           2HG      PRO  38  10.873   2.340  -4.393
  284    HG3  PRO  38           1HG      PRO  38  12.478   3.059  -4.170
  285    HD2  PRO  38           2HD      PRO  38  11.244   1.662  -2.215
  286    HD3  PRO  38           1HD      PRO  38  12.307   3.041  -1.868
  287    H    ASP  39           H        ASP  39   8.440   2.485  -2.341
  288    HA   ASP  39           HA       ASP  39   6.540   2.692  -4.487
  289    HB2  ASP  39           2HB      ASP  39   6.742   0.768  -2.158
  290    HB3  ASP  39           1HB      ASP  39   5.689   0.575  -3.558
  291    H    PHE  40           H        PHE  40   6.551   3.356  -1.004
  292    HA   PHE  40           HA       PHE  40   3.769   3.920  -0.760
  293    HB2  PHE  40           2HB      PHE  40   5.775   3.862   0.990
  294    HB3  PHE  40           1HB      PHE  40   5.801   5.583   0.660
  295    HD1  PHE  40           1HD      PHE  40   2.634   3.606   0.828
  296    HD2  PHE  40           2HD      PHE  40   5.286   6.252   2.839
  297    HE1  PHE  40           1HE      PHE  40   1.032   3.834   2.630
  298    HE2  PHE  40           2HE      PHE  40   3.655   6.484   4.651
  299    HZ   PHE  40           HZ       PHE  40   1.564   5.223   4.548
  300    H    TYR  41           H        TYR  41   6.519   5.664  -1.958
  301    HA   TYR  41           HA       TYR  41   5.101   8.160  -2.247
  302    HB2  TYR  41           2HB      TYR  41   7.903   7.303  -2.986
  303    HB3  TYR  41           1HB      TYR  41   7.275   8.926  -3.257
  304    HD1  TYR  41           1HD      TYR  41   6.447  10.226  -1.225
  305    HD2  TYR  41           2HD      TYR  41   8.853   6.725  -0.887
  306    HE1  TYR  41           1HE      TYR  41   7.081  10.882   1.056
  307    HE2  TYR  41           2HE      TYR  41   9.488   7.378   1.389
  308    HH   TYR  41           HH       TYR  41   9.642   9.529   2.727
  309    H    LYS  42           H        LYS  42   4.802   5.426  -3.851
  310    HA   LYS  42           HA       LYS  42   4.994   6.093  -6.583
  311    HB2  LYS  42           2HB      LYS  42   3.805   3.996  -4.962
  312    HB3  LYS  42           1HB      LYS  42   2.756   4.433  -6.299
  313    HG2  LYS  42           2HG      LYS  42   4.224   2.560  -6.820
  314    HG3  LYS  42           1HG      LYS  42   4.494   3.933  -7.891
  315    HD2  LYS  42           2HD      LYS  42   6.490   4.520  -6.604
  316    HD3  LYS  42           1HD      LYS  42   6.188   3.161  -5.516
  317    HE2  LYS  42           2HE      LYS  42   6.242   1.700  -7.615
  318    HE3  LYS  42           1HE      LYS  42   6.941   3.101  -8.423
  319    HZ1  LYS  42           3HZ      LYS  42   8.675   1.659  -7.672
  320    HZ2  LYS  42           1HZ      LYS  42   8.067   1.649  -6.087
  321    HZ3  LYS  42           2HZ      LYS  42   8.725   3.075  -6.744
  322    H    ILE  43           H        ILE  43   2.606   6.727  -4.118
  323    HA   ILE  43           HA       ILE  43   1.118   8.428  -6.009
  324    HB   ILE  43           HB       ILE  43   0.077   7.016  -3.536
  325   HG12  ILE  43          2HG1      ILE  43  -0.654   6.739  -6.461
  326   HG13  ILE  43          1HG1      ILE  43   0.278   5.581  -5.519
  327   HG21  ILE  43          1HG2      ILE  43  -1.349   8.940  -5.372
  328   HG22  ILE  43          2HG2      ILE  43  -0.898   9.243  -3.693
  329   HG23  ILE  43          3HG2      ILE  43  -2.100   8.009  -4.076
  330   HD11  ILE  43          3HD1      ILE  43  -2.597   6.338  -5.038
  331   HD12  ILE  43          1HD1      ILE  43  -1.662   5.178  -4.092
  332   HD13  ILE  43          2HD1      ILE  43  -2.019   4.851  -5.788
  333    H    ARG  44           H        ARG  44   0.783  10.537  -5.434
  334    HA   ARG  44           HA       ARG  44   2.645  11.662  -3.615
  335    HB2  ARG  44           2HB      ARG  44   0.314  12.912  -5.076
  336    HB3  ARG  44           1HB      ARG  44   1.531  13.817  -4.185
  337    HG2  ARG  44           2HG      ARG  44   2.016  12.086  -6.602
  338    HG3  ARG  44           1HG      ARG  44   2.008  13.851  -6.555
  339    HD2  ARG  44           2HD      ARG  44   3.925  12.043  -5.083
  340    HD3  ARG  44           1HD      ARG  44   4.290  12.978  -6.534
  341    HE   ARG  44           HE       ARG  44   3.696  14.981  -5.070
  342   HH11  ARG  44          1HH1      ARG  44   5.239  12.057  -3.903
  343   HH12  ARG  44          2HH1      ARG  44   5.916  12.821  -2.493
  344   HH21  ARG  44          1HH2      ARG  44   4.625  16.000  -3.236
  345   HH22  ARG  44          2HH2      ARG  44   5.578  15.066  -2.124
  346    H    ASP  45           H        ASP  45  -0.829  11.057  -3.405
  347    HA   ASP  45           HA       ASP  45  -0.918  12.409  -0.820
  348    HB2  ASP  45           2HB      ASP  45  -3.025  11.440  -2.711
  349    HB3  ASP  45           1HB      ASP  45  -3.430  11.725  -1.022
  350    H    ASP  46           H        ASP  46  -0.806  11.436   1.024
  351    HA   ASP  46           HA       ASP  46  -0.620   8.558   1.216
  352    HB2  ASP  46           2HB      ASP  46   0.757  10.111   2.590
  353    HB3  ASP  46           1HB      ASP  46  -0.707  10.663   3.394
  354    H    THR  47           H        THR  47  -3.034  10.986   1.682
  355    HA   THR  47           HA       THR  47  -4.801   9.630   3.391
  356    HB   THR  47           HB       THR  47  -5.653  11.557   1.234
  357    HG1  THR  47           1HG      THR  47  -4.581  13.112   2.215
  358   HG21  THR  47          3HG2      THR  47  -7.263  12.288   2.930
  359   HG22  THR  47          1HG2      THR  47  -6.614  11.101   4.063
  360   HG23  THR  47          2HG2      THR  47  -7.431  10.565   2.594
  361    H    VAL  48           H        VAL  48  -3.923   8.939   0.209
  362    HA   VAL  48           HA       VAL  48  -6.393   7.425  -0.280
  363    HB   VAL  48           HB       VAL  48  -4.171   8.045  -2.237
  364   HG11  VAL  48          1HG1      VAL  48  -5.442   6.051  -2.824
  365   HG12  VAL  48          2HG1      VAL  48  -5.792   7.365  -3.946
  366   HG13  VAL  48          3HG1      VAL  48  -6.950   6.954  -2.683
  367   HG21  VAL  48          3HG2      VAL  48  -6.843   9.402  -1.891
  368   HG22  VAL  48          1HG2      VAL  48  -5.697   9.705  -3.197
  369   HG23  VAL  48          2HG2      VAL  48  -5.262  10.098  -1.532
  370    H    ARG  49           H        ARG  49  -3.039   7.146   0.441
  371    HA   ARG  49           HA       ARG  49  -2.394   4.657  -0.687
  372    HB2  ARG  49           2HB      ARG  49  -1.337   5.963   1.815
  373    HB3  ARG  49           1HB      ARG  49  -0.607   4.584   1.073
  374    HG2  ARG  49           2HG      ARG  49  -0.129   5.860  -0.920
  375    HG3  ARG  49           1HG      ARG  49  -0.967   7.240  -0.229
  376    HD2  ARG  49           2HD      ARG  49   0.683   7.221   1.647
  377    HD3  ARG  49           1HD      ARG  49   1.566   5.971   0.773
  378    HE   ARG  49           HE       ARG  49   1.480   7.850  -1.076
  379   HH11  ARG  49          1HH1      ARG  49   2.122   8.168   2.353
  380   HH12  ARG  49          2HH1      ARG  49   3.222   9.494   2.141
  381   HH21  ARG  49          1HH2      ARG  49   2.890   9.599  -1.352
  382   HH22  ARG  49          2HH2      ARG  49   3.650  10.332   0.036
  383    H    GLU  50           H        GLU  50  -3.765   5.432   2.505
  384    HA   GLU  50           HA       GLU  50  -3.725   2.631   3.100
  385    HB2  GLU  50           2HB      GLU  50  -5.197   3.726   5.042
  386    HB3  GLU  50           1HB      GLU  50  -3.569   3.328   5.119
  387    HG2  GLU  50           2HG      GLU  50  -4.014   5.361   5.960
  388    HG3  GLU  50           1HG      GLU  50  -2.908   5.517   4.730
  389    H    SER  51           H        SER  51  -6.092   4.807   1.879
  390    HA   SER  51           HA       SER  51  -8.239   2.967   2.044
  391    HB2  SER  51           2HB      SER  51  -7.627   4.979  -0.139
  392    HB3  SER  51           1HB      SER  51  -9.161   4.124   0.034
  393    HG   SER  51           HG       SER  51  -9.529   5.167   1.959
  394    H    LEU  52           H        LEU  52  -5.305   2.560   0.595
  395    HA   LEU  52           HA       LEU  52  -5.993   1.265  -1.749
  396    HB2  LEU  52           2HB      LEU  52  -3.489   1.413  -0.247
  397    HB3  LEU  52           1HB      LEU  52  -3.562   0.692  -1.786
  398    HG   LEU  52           HG       LEU  52  -4.014   3.575  -1.101
  399   HD11  LEU  52          1HD1      LEU  52  -1.769   2.995  -1.690
  400   HD12  LEU  52          2HD1      LEU  52  -2.495   4.015  -2.934
  401   HD13  LEU  52          3HD1      LEU  52  -2.326   2.279  -3.200
  402   HD21  LEU  52          3HD2      LEU  52  -4.869   2.273  -3.672
  403   HD22  LEU  52          1HD2      LEU  52  -4.842   4.006  -3.352
  404   HD23  LEU  52          2HD2      LEU  52  -5.928   2.959  -2.438
  405    H    PHE  53           H        PHE  53  -4.964   0.394   1.021
  406    HA   PHE  53           HA       PHE  53  -4.172  -2.196   0.501
  407    HB2  PHE  53           2HB      PHE  53  -3.077  -1.153   2.078
  408    HB3  PHE  53           1HB      PHE  53  -4.241   0.179   1.777
  409    HD1  PHE  53           2HD      PHE  53  -6.217   0.205   3.248
  410    HD2  PHE  53           1HD      PHE  53  -2.895  -2.218   4.136
  411    HE1  PHE  53           2HE      PHE  53  -6.978   0.058   5.612
  412    HE2  PHE  53           1HE      PHE  53  -3.597  -2.387   6.495
  413    HZ   PHE  53           HZ       PHE  53  -5.658  -1.244   7.237
  414    H    GLU  54           H        GLU  54  -6.877  -0.577   1.943
  415    HA   GLU  54           HA       GLU  54  -8.365  -2.704   2.998
  416    HB2  GLU  54           2HB      GLU  54  -9.938  -0.678   1.518
  417    HB3  GLU  54           1HB      GLU  54 -10.125  -1.261   3.164
  418    HG2  GLU  54           2HG      GLU  54  -8.181   0.109   3.822
  419    HG3  GLU  54           1HG      GLU  54  -8.127   0.742   2.175
  420    H    GLU  55           H        GLU  55  -8.332  -1.388  -0.301
  421    HA   GLU  55           HA       GLU  55 -10.352  -3.141  -1.257
  422    HB2  GLU  55           2HB      GLU  55  -8.267  -1.615  -2.827
  423    HB3  GLU  55           1HB      GLU  55  -9.696  -2.384  -3.509
  424    HG2  GLU  55           2HG      GLU  55 -11.064  -0.884  -2.017
  425    HG3  GLU  55           1HG      GLU  55  -9.569  -0.019  -1.663
  426    H    TRP  56           H        TRP  56  -6.798  -3.201  -1.642
  427    HA   TRP  56           HA       TRP  56  -6.691  -5.534  -3.169
  428    HB2  TRP  56           2HB      TRP  56  -4.846  -4.176  -3.211
  429    HB3  TRP  56           1HB      TRP  56  -4.719  -4.181  -1.473
  430    HD1  TRP  56           HD       TRP  56  -4.036  -6.751  -4.152
  431    HE1  TRP  56           1HE      TRP  56  -2.271  -8.399  -3.287
  432    HE3  TRP  56           3HE      TRP  56  -3.437  -4.315  -0.555
  433    HZ2  TRP  56           2HZ      TRP  56  -0.538  -8.223  -0.924
  434    HZ3  TRP  56           3HZ      TRP  56  -1.712  -4.652   0.540
  435    HH2  TRP  56           HH       TRP  56  -0.252  -6.574   0.792
  436    H    CYS  57           H        CYS  57  -7.111  -4.993   0.090
  437    HA   CYS  57           HA       CYS  57  -6.114  -7.312   1.335
  438    HB2  CYS  57           2HB      CYS  57  -6.716  -5.234   2.541
  439    HB3  CYS  57           1HB      CYS  57  -8.415  -5.536   2.201
  440    HG   CYS  57           HG       CYS  57  -8.505  -6.372   4.673
  441    H    GLY  58           H        GLY  58  -9.392  -6.383   0.336
  442    HA2  GLY  58           2HA      GLY  58 -10.110  -9.246   0.237
  443    HA3  GLY  58           1HA      GLY  58 -11.268  -7.938   0.480
  444    H    GLU  59           H        GLU  59  -8.580  -8.267  -1.747
  445    HA   GLU  59           HA       GLU  59 -10.313  -7.361  -3.912
  446    HB2  GLU  59           2HB      GLU  59  -7.795  -6.587  -3.067
  447    HB3  GLU  59           1HB      GLU  59  -7.435  -7.661  -4.440
  448    HG2  GLU  59           2HG      GLU  59  -9.065  -5.134  -4.440
  449    HG3  GLU  59           1HG      GLU  59  -7.555  -5.454  -5.288
  Start of MODEL   10
    1    H1   ASP   5           H        ASP   5  -5.995   6.784 -12.133
    2    HA   ASP   5           HA       ASP   5  -7.594   7.686  -9.945
    3    HB2  ASP   5           2HB      ASP   5  -9.626   8.244 -11.328
    4    HB3  ASP   5           1HB      ASP   5  -8.332   9.431 -11.368
    5    H    ILE   6           H        ILE   6  -7.719   5.818  -9.156
    6    HA   ILE   6           HA       ILE   6  -8.271   3.746  -8.741
    7    HB   ILE   6           HB       ILE   6 -10.210   3.765 -11.008
    8   HG12  ILE   6          2HG1      ILE   6 -10.510   5.851  -9.737
    9   HG13  ILE   6          1HG1      ILE   6 -11.891   4.783  -9.560
   10   HG21  ILE   6          1HG2      ILE   6 -10.332   2.408  -8.316
   11   HG22  ILE   6          2HG2      ILE   6  -9.983   1.629  -9.860
   12   HG23  ILE   6          3HG2      ILE   6 -11.580   2.316  -9.560
   13   HD11  ILE   6          3HD1      ILE   6 -11.312   5.842  -7.456
   14   HD12  ILE   6          1HD1      ILE   6  -9.690   5.157  -7.547
   15   HD13  ILE   6          2HD1      ILE   6 -11.088   4.094  -7.365
   16    H    ASP   7           H        ASP   7  -6.556   4.421 -10.296
   17    HA   ASP   7           HA       ASP   7  -5.666   1.793 -10.978
   18    HB2  ASP   7           2HB      ASP   7  -4.796   2.144 -13.142
   19    HB3  ASP   7           1HB      ASP   7  -6.349   2.969 -13.098
   20    H    GLU   8           H        GLU   8  -5.152   3.985  -9.385
   21    HA   GLU   8           HA       GLU   8  -2.263   4.173  -9.227
   22    HB2  GLU   8           2HB      GLU   8  -2.533   5.805  -7.496
   23    HB3  GLU   8           1HB      GLU   8  -3.688   6.212  -8.753
   24    HG2  GLU   8           2HG      GLU   8  -4.377   4.719  -6.231
   25    HG3  GLU   8           1HG      GLU   8  -4.552   6.459  -6.442
   26    H    ARG   9           H        ARG   9  -5.032   2.805  -7.825
   27    HA   ARG   9           HA       ARG   9  -4.039   2.099  -5.314
   28    HB2  ARG   9           2HB      ARG   9  -6.174   0.993  -5.076
   29    HB3  ARG   9           1HB      ARG   9  -6.394   2.474  -5.967
   30    HG2  ARG   9           2HG      ARG   9  -6.526   1.231  -8.049
   31    HG3  ARG   9           1HG      ARG   9  -6.295  -0.274  -7.161
   32    HD2  ARG   9           2HD      ARG   9  -8.343   0.332  -5.831
   33    HD3  ARG   9           1HD      ARG   9  -8.620   1.631  -6.992
   34    HE   ARG   9           HE       ARG   9  -8.996  -0.029  -8.679
   35   HH11  ARG   9          1HH1      ARG   9  -8.726  -1.241  -5.418
   36   HH12  ARG   9          2HH1      ARG   9  -9.406  -2.801  -5.780
   37   HH21  ARG   9          1HH2      ARG   9  -9.967  -2.052  -9.171
   38   HH22  ARG   9          2HH2      ARG   9 -10.151  -3.238  -7.913
   39    H    ASN  10           H        ASN  10  -4.551   0.149  -8.221
   40    HA   ASN  10           HA       ASN  10  -3.866  -2.330  -7.001
   41    HB2  ASN  10           2HB      ASN  10  -4.068  -1.467  -9.895
   42    HB3  ASN  10           1HB      ASN  10  -3.601  -3.101  -9.438
   43   HD21  ASN  10          1HD2      ASN  10  -6.168  -0.774  -9.529
   44   HD22  ASN  10          2HD2      ASN  10  -7.445  -1.850  -9.095
   45    H    ILE  11           H        ILE  11  -1.915   0.244  -8.072
   46    HA   ILE  11           HA       ILE  11   0.457  -1.224  -8.533
   47    HB   ILE  11           HB       ILE  11   0.172   1.569  -7.395
   48   HG12  ILE  11          2HG1      ILE  11   0.576   0.672 -10.257
   49   HG13  ILE  11          1HG1      ILE  11  -0.934   1.287  -9.590
   50   HG21  ILE  11          1HG2      ILE  11   2.380   0.626  -7.004
   51   HG22  ILE  11          2HG2      ILE  11   2.456   1.907  -8.214
   52   HG23  ILE  11          3HG2      ILE  11   2.524   0.219  -8.714
   53   HD11  ILE  11          3HD1      ILE  11   0.218   2.996 -10.858
   54   HD12  ILE  11          1HD1      ILE  11   1.647   2.816  -9.841
   55   HD13  ILE  11          2HD1      ILE  11   0.147   3.436  -9.151
   56    H    PHE  12           H        PHE  12  -0.973   0.222  -5.590
   57    HA   PHE  12           HA       PHE  12   1.338  -0.349  -4.032
   58    HB2  PHE  12           2HB      PHE  12  -1.336   0.791  -3.515
   59    HB3  PHE  12           1HB      PHE  12  -0.509   0.073  -2.132
   60    HD1  PHE  12           2HD      PHE  12   0.570   2.190  -5.057
   61    HD2  PHE  12           1HD      PHE  12   0.506   1.653  -0.823
   62    HE1  PHE  12           2HE      PHE  12   1.889   4.233  -4.768
   63    HE2  PHE  12           1HE      PHE  12   1.827   3.698  -0.546
   64    HZ   PHE  12           HZ       PHE  12   2.517   4.991  -2.516
   65    H    PHE  13           H        PHE  13  -1.913  -1.887  -3.898
   66    HA   PHE  13           HA       PHE  13  -1.898  -4.381  -2.466
   67    HB2  PHE  13           2HB      PHE  13  -2.082  -4.138  -5.162
   68    HB3  PHE  13           1HB      PHE  13  -3.019  -5.048  -4.254
   69    HD1  PHE  13           2HD      PHE  13  -3.135  -1.836  -2.894
   70    HD2  PHE  13           1HD      PHE  13  -4.564  -4.157  -6.164
   71    HE1  PHE  13           2HE      PHE  13  -5.117  -0.396  -3.069
   72    HE2  PHE  13           1HE      PHE  13  -6.550  -2.739  -6.313
   73    HZ   PHE  13           HZ       PHE  13  -6.832  -0.865  -4.766
   74    H    GLU  14           H        GLU  14  -0.305  -3.668  -5.679
   75    HA   GLU  14           HA       GLU  14   0.716  -6.335  -5.897
   76    HB2  GLU  14           2HB      GLU  14   0.263  -4.504  -7.744
   77    HB3  GLU  14           1HB      GLU  14   1.909  -4.007  -7.384
   78    HG2  GLU  14           2HG      GLU  14   1.132  -6.788  -8.227
   79    HG3  GLU  14           1HG      GLU  14   1.681  -5.531  -9.331
   80    H    LEU  15           H        LEU  15   2.143  -3.192  -5.140
   81    HA   LEU  15           HA       LEU  15   4.670  -4.112  -4.277
   82    HB2  LEU  15           2HB      LEU  15   3.300  -1.821  -2.929
   83    HB3  LEU  15           1HB      LEU  15   4.969  -1.972  -3.417
   84    HG   LEU  15           HG       LEU  15   2.656  -1.549  -5.274
   85   HD11  LEU  15          1HD1      LEU  15   3.016   0.400  -3.912
   86   HD12  LEU  15          2HD1      LEU  15   3.556   0.706  -5.562
   87   HD13  LEU  15          3HD1      LEU  15   4.738   0.384  -4.293
   88   HD21  LEU  15          3HD2      LEU  15   5.628  -1.521  -5.797
   89   HD22  LEU  15          1HD2      LEU  15   4.372  -1.118  -6.969
   90   HD23  LEU  15          2HD2      LEU  15   4.489  -2.758  -6.331
   91    H    PHE  16           H        PHE  16   1.441  -4.083  -2.877
   92    HA   PHE  16           HA       PHE  16   2.277  -4.136  -0.196
   93    HB2  PHE  16           2HB      PHE  16  -0.089  -4.279  -1.867
   94    HB3  PHE  16           1HB      PHE  16  -0.267  -4.753  -0.224
   95    HD1  PHE  16           2HD      PHE  16   1.972  -2.156  -0.044
   96    HD2  PHE  16           1HD      PHE  16  -2.195  -2.880  -0.982
   97    HE1  PHE  16           2HE      PHE  16   1.401   0.157   0.579
   98    HE2  PHE  16           1HE      PHE  16  -2.682  -0.577  -0.359
   99    HZ   PHE  16           HZ       PHE  16  -0.942   0.928   0.413
  100    H    ASP  17           H        ASP  17   1.410  -6.422  -2.650
  101    HA   ASP  17           HA       ASP  17   1.711  -8.722  -0.949
  102    HB2  ASP  17           2HB      ASP  17   0.345  -8.569  -3.141
  103    HB3  ASP  17           1HB      ASP  17   1.897  -8.754  -3.948
  104    H    ARG  18           H        ARG  18   3.619  -7.017  -3.341
  105    HA   ARG  18           HA       ARG  18   5.826  -8.687  -3.543
  106    HB2  ARG  18           2HB      ARG  18   5.371  -6.691  -4.960
  107    HB3  ARG  18           1HB      ARG  18   5.825  -5.661  -3.611
  108    HG2  ARG  18           2HG      ARG  18   8.084  -6.627  -3.661
  109    HG3  ARG  18           1HG      ARG  18   7.616  -7.598  -5.057
  110    HD2  ARG  18           2HD      ARG  18   7.653  -4.583  -4.910
  111    HD3  ARG  18           1HD      ARG  18   8.832  -5.594  -5.744
  112    HE   ARG  18           HE       ARG  18   5.992  -5.589  -6.542
  113   HH11  ARG  18          1HH1      ARG  18   9.387  -5.174  -7.316
  114   HH12  ARG  18          2HH1      ARG  18   9.108  -5.013  -9.025
  115   HH21  ARG  18          1HH2      ARG  18   5.612  -5.372  -8.772
  116   HH22  ARG  18          2HH2      ARG  18   6.958  -5.142  -9.859
  117    H    TYR  19           H        TYR  19   4.920  -6.505  -0.995
  118    HA   TYR  19           HA       TYR  19   7.412  -7.182   0.423
  119    HB2  TYR  19           2HB      TYR  19   5.631  -4.753   0.672
  120    HB3  TYR  19           1HB      TYR  19   6.903  -5.136   1.829
  121    HD1  TYR  19           2HD      TYR  19   6.242  -4.234  -1.698
  122    HD2  TYR  19           1HD      TYR  19   9.190  -4.677   1.335
  123    HE1  TYR  19           2HE      TYR  19   7.888  -3.126  -3.144
  124    HE2  TYR  19           1HE      TYR  19  10.844  -3.569  -0.105
  125    HH   TYR  19           HH       TYR  19   9.962  -1.943  -3.023
  126    H    LYS  20           H        LYS  20   4.513  -8.280   0.110
  127    HA   LYS  20           HA       LYS  20   2.945  -9.373   1.340
  128    HB2  LYS  20           2HB      LYS  20   5.466 -10.030   2.786
  129    HB3  LYS  20           1HB      LYS  20   3.950 -10.843   3.109
  130    HG2  LYS  20           2HG      LYS  20   5.312 -10.782   0.422
  131    HG3  LYS  20           1HG      LYS  20   5.438 -12.104   1.585
  132    HD2  LYS  20           2HD      LYS  20   3.013 -12.427   1.484
  133    HD3  LYS  20           1HD      LYS  20   2.882 -11.101   0.329
  134    HE2  LYS  20           2HE      LYS  20   4.495 -13.601  -0.137
  135    HE3  LYS  20           1HE      LYS  20   2.838 -13.382  -0.690
  136    HZ1  LYS  20           3HZ      LYS  20   4.411 -12.898  -2.444
  137    HZ2  LYS  20           1HZ      LYS  20   5.171 -11.716  -1.489
  138    HZ3  LYS  20           2HZ      LYS  20   3.572 -11.489  -2.012
  139    H    LEU  21           H        LEU  21   1.976  -7.351   2.032
  140    HA   LEU  21           HA       LEU  21   2.368  -6.615   4.836
  141    HB2  LEU  21           2HB      LEU  21   0.427  -5.754   2.690
  142    HB3  LEU  21           1HB      LEU  21   0.605  -4.957   4.231
  143    HG   LEU  21           HG       LEU  21   2.423  -4.993   1.871
  144   HD11  LEU  21          1HD1      LEU  21   1.346  -2.791   3.607
  145   HD12  LEU  21          2HD1      LEU  21   0.777  -3.237   1.997
  146   HD13  LEU  21          3HD1      LEU  21   2.396  -2.573   2.208
  147   HD21  LEU  21          3HD2      LEU  21   3.875  -5.561   3.740
  148   HD22  LEU  21          1HD2      LEU  21   3.236  -4.203   4.666
  149   HD23  LEU  21          2HD2      LEU  21   4.178  -3.908   3.204
  150    H    ASP  22           H        ASP  22   0.068  -6.186   5.787
  151    HA   ASP  22           HA       ASP  22  -1.766  -8.440   5.371
  152    HB2  ASP  22           2HB      ASP  22  -0.952  -7.129   7.984
  153    HB3  ASP  22           1HB      ASP  22  -2.285  -8.278   7.828
  154    H    LYS  23           H        LYS  23  -3.477  -7.690   4.550
  155    HA   LYS  23           HA       LYS  23  -3.609  -4.794   4.133
  156    HB2  LYS  23           2HB      LYS  23  -5.281  -6.986   2.909
  157    HB3  LYS  23           1HB      LYS  23  -5.105  -5.317   2.344
  158    HG2  LYS  23           2HG      LYS  23  -3.312  -6.003   1.129
  159    HG3  LYS  23           1HG      LYS  23  -2.570  -6.178   2.695
  160    HD2  LYS  23           2HD      LYS  23  -4.024  -8.497   2.491
  161    HD3  LYS  23           1HD      LYS  23  -3.303  -8.249   0.888
  162    HE2  LYS  23           2HE      LYS  23  -2.019  -8.815   3.450
  163    HE3  LYS  23           1HE      LYS  23  -1.438  -9.081   1.806
  164    HZ1  LYS  23           3HZ      LYS  23  -0.022  -7.451   2.567
  165    HZ2  LYS  23           1HZ      LYS  23  -1.194  -6.592   3.494
  166    HZ3  LYS  23           2HZ      LYS  23  -1.188  -6.532   1.774
  167    H    PHE  24           H        PHE  24  -4.843  -6.965   6.277
  168    HA   PHE  24           HA       PHE  24  -7.372  -5.537   6.740
  169    HB2  PHE  24           2HB      PHE  24  -7.925  -7.599   5.687
  170    HB3  PHE  24           1HB      PHE  24  -6.772  -8.491   6.667
  171    HD1  PHE  24           2HD      PHE  24  -9.966  -6.627   6.822
  172    HD2  PHE  24           1HD      PHE  24  -7.412  -9.507   8.619
  173    HE1  PHE  24           2HE      PHE  24 -11.770  -7.232   8.388
  174    HE2  PHE  24           1HE      PHE  24  -9.210 -10.127  10.191
  175    HZ   PHE  24           HZ       PHE  24 -11.390  -8.988  10.075
  176    H    SER  25           H        SER  25  -4.598  -7.187   8.020
  177    HA   SER  25           HA       SER  25  -5.235  -7.355  10.733
  178    HB2  SER  25           2HB      SER  25  -2.673  -7.156   9.176
  179    HB3  SER  25           1HB      SER  25  -2.638  -7.259  10.925
  180    HG   SER  25           HG       SER  25  -4.284  -9.134  10.145
  181    H    THR  26           H        THR  26  -2.823  -5.097   9.505
  182    HA   THR  26           HA       THR  26  -4.120  -2.784  10.820
  183    HB   THR  26           HB       THR  26  -1.533  -2.118  11.140
  184    HG1  THR  26           1HG      THR  26  -0.641  -4.177  12.171
  185   HG21  THR  26          3HG2      THR  26  -3.137  -3.780  13.106
  186   HG22  THR  26          1HG2      THR  26  -3.251  -2.036  12.882
  187   HG23  THR  26          2HG2      THR  26  -1.765  -2.749  13.510
  188    H    TRP  27           H        TRP  27  -3.502  -0.915   9.991
  189    HA   TRP  27           HA       TRP  27  -2.783  -1.031   7.195
  190    HB2  TRP  27           2HB      TRP  27  -4.098   0.844   7.695
  191    HB3  TRP  27           1HB      TRP  27  -3.167   1.226   9.140
  192    HD1  TRP  27           HD       TRP  27  -1.957   3.461   8.651
  193    HE1  TRP  27           1HE      TRP  27  -0.686   4.571   6.821
  194    HE3  TRP  27           3HE      TRP  27  -2.643  -0.092   5.154
  195    HZ2  TRP  27           2HZ      TRP  27  -0.160   4.105   4.198
  196    HZ3  TRP  27           3HZ      TRP  27  -1.814   0.453   2.905
  197    HH2  TRP  27           HH       TRP  27  -0.747   2.593   2.572
  198    H    SER  28           H        SER  28  -1.164   0.127  10.154
  199    HA   SER  28           HA       SER  28   1.008   0.755   8.483
  200    HB2  SER  28           2HB      SER  28   2.166   1.231  10.560
  201    HB3  SER  28           1HB      SER  28   1.138   2.365   9.787
  202    HG   SER  28           HG       SER  28   0.157   2.451  11.694
  203    H    LEU  29           H        LEU  29   0.572  -2.000  10.614
  204    HA   LEU  29           HA       LEU  29   3.299  -2.515  11.012
  205    HB2  LEU  29           2HB      LEU  29   1.034  -3.940  11.498
  206    HB3  LEU  29           1HB      LEU  29   1.627  -4.801  10.095
  207    HG   LEU  29           HG       LEU  29   3.216  -4.390  12.634
  208   HD11  LEU  29          1HD1      LEU  29   2.771  -6.766  13.037
  209   HD12  LEU  29          2HD1      LEU  29   1.706  -6.800  11.632
  210   HD13  LEU  29          3HD1      LEU  29   1.287  -5.811  13.031
  211   HD21  LEU  29          3HD2      LEU  29   4.610  -4.673  10.648
  212   HD22  LEU  29          1HD2      LEU  29   3.721  -6.136  10.225
  213   HD23  LEU  29          2HD2      LEU  29   4.697  -6.090  11.695
  214    H    GLN  30           H        GLN  30   1.253  -2.508   8.358
  215    HA   GLN  30           HA       GLN  30   3.128  -3.658   6.479
  216    HB2  GLN  30           2HB      GLN  30   0.386  -2.545   5.736
  217    HB3  GLN  30           1HB      GLN  30   1.395  -3.659   4.873
  218    HG2  GLN  30           2HG      GLN  30  -0.612  -4.610   5.946
  219    HG3  GLN  30           1HG      GLN  30   0.889  -5.416   6.331
  220   HE21  GLN  30          1HE2      GLN  30   0.205  -6.359   8.217
  221   HE22  GLN  30          2HE2      GLN  30  -0.244  -5.461   9.625
  222    H    SER  31           H        SER  31   1.575  -0.531   7.148
  223    HA   SER  31           HA       SER  31   3.185   0.810   5.278
  224    HB2  SER  31           2HB      SER  31   2.203   2.922   5.966
  225    HB3  SER  31           1HB      SER  31   1.096   1.703   5.344
  226    HG   SER  31           HG       SER  31   0.169   2.468   7.176
  227    H    LYS  32           H        LYS  32   3.717   0.528   8.695
  228    HA   LYS  32           HA       LYS  32   5.839   2.477   8.647
  229    HB2  LYS  32           2HB      LYS  32   6.505   1.536  10.814
  230    HB3  LYS  32           1HB      LYS  32   4.777   1.848  10.790
  231    HG2  LYS  32           2HG      LYS  32   4.426  -0.572  10.288
  232    HG3  LYS  32           1HG      LYS  32   6.147  -0.824  10.550
  233    HD2  LYS  32           2HD      LYS  32   4.261   0.356  12.582
  234    HD3  LYS  32           1HD      LYS  32   4.734  -1.342  12.527
  235    HE2  LYS  32           2HE      LYS  32   7.091  -0.652  12.811
  236    HE3  LYS  32           1HE      LYS  32   6.557   1.023  12.958
  237    HZ1  LYS  32           3HZ      LYS  32   5.335   0.476  14.925
  238    HZ2  LYS  32           1HZ      LYS  32   6.923  -0.090  15.120
  239    HZ3  LYS  32           2HZ      LYS  32   5.671  -1.174  14.750
  240    H    LYS  33           H        LYS  33   5.212  -0.453   7.380
  241    HA   LYS  33           HA       LYS  33   7.988  -1.413   7.317
  242    HB2  LYS  33           2HB      LYS  33   6.335  -3.123   7.594
  243    HB3  LYS  33           1HB      LYS  33   5.446  -2.574   6.182
  244    HG2  LYS  33           2HG      LYS  33   7.262  -3.272   4.737
  245    HG3  LYS  33           1HG      LYS  33   8.208  -3.772   6.138
  246    HD2  LYS  33           2HD      LYS  33   5.495  -4.928   5.555
  247    HD3  LYS  33           1HD      LYS  33   6.957  -5.580   4.818
  248    HE2  LYS  33           2HE      LYS  33   6.680  -6.921   6.685
  249    HE3  LYS  33           1HE      LYS  33   7.847  -5.721   7.235
  250    HZ1  LYS  33           3HZ      LYS  33   6.240  -6.001   8.927
  251    HZ2  LYS  33           1HZ      LYS  33   4.943  -5.830   7.846
  252    HZ3  LYS  33           2HZ      LYS  33   5.924  -4.496   8.220
  253    H    ILE  34           H        ILE  34   5.619  -1.004   4.649
  254    HA   ILE  34           HA       ILE  34   7.517  -0.970   2.595
  255    HB   ILE  34           HB       ILE  34   5.726   0.169   1.185
  256   HG12  ILE  34          2HG1      ILE  34   3.720   0.876   2.039
  257   HG13  ILE  34          1HG1      ILE  34   3.564  -0.566   3.038
  258   HG21  ILE  34          1HG2      ILE  34   4.374  -1.872   1.083
  259   HG22  ILE  34          2HG2      ILE  34   5.101  -2.410   2.596
  260   HG23  ILE  34          3HG2      ILE  34   6.103  -2.200   1.160
  261   HD11  ILE  34          3HD1      ILE  34   5.058   1.943   3.621
  262   HD12  ILE  34          1HD1      ILE  34   4.926   0.549   4.692
  263   HD13  ILE  34          2HD1      ILE  34   3.484   1.470   4.262
  264    H    GLU  35           H        GLU  35   6.435   1.608   4.570
  265    HA   GLU  35           HA       GLU  35   6.583   3.932   3.478
  266    HB2  GLU  35           2HB      GLU  35   6.590   3.507   5.928
  267    HB3  GLU  35           1HB      GLU  35   8.347   3.383   5.858
  268    HG2  GLU  35           2HG      GLU  35   7.392   5.737   4.555
  269    HG3  GLU  35           1HG      GLU  35   6.849   5.686   6.229
  270    H    ASN  36           H        ASN  36   9.687   3.197   4.815
  271    HA   ASN  36           HA       ASN  36  11.199   4.775   3.105
  272    HB2  ASN  36           2HB      ASN  36  13.164   3.463   4.023
  273    HB3  ASN  36           1HB      ASN  36  12.122   4.247   5.201
  274   HD21  ASN  36          1HD2      ASN  36  11.213   1.271   3.563
  275   HD22  ASN  36          2HD2      ASN  36  11.348   0.260   4.956
  276    H    ASP  37           H        ASP  37   9.571   2.795   1.570
  277    HA   ASP  37           HA       ASP  37  11.779   1.851  -0.136
  278    HB2  ASP  37           2HB      ASP  37   9.075   0.554   0.306
  279    HB3  ASP  37           1HB      ASP  37  10.193   0.084  -0.971
  280    HA   PRO  38           HA       PRO  38  10.360   4.706  -3.145
  281    HB2  PRO  38           2HB      PRO  38  10.803   2.549  -5.141
  282    HB3  PRO  38           1HB      PRO  38  11.463   4.187  -5.087
  283    HG2  PRO  38           2HG      PRO  38  12.980   2.088  -4.463
  284    HG3  PRO  38           1HG      PRO  38  13.118   3.613  -3.569
  285    HD2  PRO  38           2HD      PRO  38  11.786   1.060  -2.775
  286    HD3  PRO  38           1HD      PRO  38  12.712   2.208  -1.787
  287    H    ASP  39           H        ASP  39   8.985   1.532  -2.968
  288    HA   ASP  39           HA       ASP  39   6.985   1.892  -4.954
  289    HB2  ASP  39           2HB      ASP  39   7.166  -0.117  -2.700
  290    HB3  ASP  39           1HB      ASP  39   6.043  -0.206  -4.056
  291    H    PHE  40           H        PHE  40   6.959   2.151  -1.401
  292    HA   PHE  40           HA       PHE  40   4.156   2.769  -1.299
  293    HB2  PHE  40           2HB      PHE  40   5.357   1.758   0.570
  294    HB3  PHE  40           1HB      PHE  40   6.371   3.177   0.710
  295    HD1  PHE  40           1HD      PHE  40   2.685   2.222   0.982
  296    HD2  PHE  40           2HD      PHE  40   5.898   4.711   2.275
  297    HE1  PHE  40           1HE      PHE  40   1.308   3.058   2.768
  298    HE2  PHE  40           2HE      PHE  40   4.478   5.550   4.082
  299    HZ   PHE  40           HZ       PHE  40   2.208   4.674   4.321
  300    H    TYR  41           H        TYR  41   6.874   4.479  -2.263
  301    HA   TYR  41           HA       TYR  41   5.771   7.100  -1.636
  302    HB2  TYR  41           2HB      TYR  41   8.323   6.257  -3.010
  303    HB3  TYR  41           1HB      TYR  41   7.827   7.935  -2.838
  304    HD1  TYR  41           1HD      TYR  41   6.746   7.846  -0.033
  305    HD2  TYR  41           2HD      TYR  41  10.273   6.181  -1.730
  306    HE1  TYR  41           1HE      TYR  41   7.857   7.973   2.159
  307    HE2  TYR  41           2HE      TYR  41  11.389   6.296   0.453
  308    HH   TYR  41           HH       TYR  41   9.782   6.786   3.341
  309    H    LYS  42           H        LYS  42   5.123   4.856  -3.944
  310    HA   LYS  42           HA       LYS  42   5.177   6.182  -6.392
  311    HB2  LYS  42           2HB      LYS  42   3.148   4.224  -5.315
  312    HB3  LYS  42           1HB      LYS  42   3.144   4.773  -6.975
  313    HG2  LYS  42           2HG      LYS  42   5.370   3.254  -5.627
  314    HG3  LYS  42           1HG      LYS  42   4.166   2.570  -6.713
  315    HD2  LYS  42           2HD      LYS  42   5.921   2.863  -8.158
  316    HD3  LYS  42           1HD      LYS  42   5.077   4.398  -8.365
  317    HE2  LYS  42           2HE      LYS  42   6.653   5.575  -7.138
  318    HE3  LYS  42           1HE      LYS  42   7.237   4.131  -6.311
  319    HZ1  LYS  42           3HZ      LYS  42   8.796   4.974  -7.991
  320    HZ2  LYS  42           1HZ      LYS  42   7.638   4.700  -9.201
  321    HZ3  LYS  42           2HZ      LYS  42   8.276   3.396  -8.326
  322    H    ILE  43           H        ILE  43   2.519   6.089  -4.045
  323    HA   ILE  43           HA       ILE  43   1.211   8.298  -5.404
  324    HB   ILE  43           HB       ILE  43   0.336   6.662  -3.019
  325   HG12  ILE  43          2HG1      ILE  43   0.321   5.371  -5.073
  326   HG13  ILE  43          1HG1      ILE  43  -1.336   5.750  -4.612
  327   HG21  ILE  43          1HG2      ILE  43  -1.178   8.780  -4.544
  328   HG22  ILE  43          2HG2      ILE  43  -0.593   8.905  -2.885
  329   HG23  ILE  43          3HG2      ILE  43  -1.852   7.739  -3.291
  330   HD11  ILE  43          3HD1      ILE  43  -1.000   5.985  -7.007
  331   HD12  ILE  43          1HD1      ILE  43   0.273   7.173  -6.723
  332   HD13  ILE  43          2HD1      ILE  43  -1.391   7.538  -6.268
  333    H    ARG  44           H        ARG  44   1.274  10.320  -4.744
  334    HA   ARG  44           HA       ARG  44   3.132  11.271  -2.901
  335    HB2  ARG  44           2HB      ARG  44   2.262  12.614  -4.742
  336    HB3  ARG  44           1HB      ARG  44   0.662  12.606  -4.014
  337    HG2  ARG  44           2HG      ARG  44   1.751  13.751  -2.014
  338    HG3  ARG  44           1HG      ARG  44   3.132  14.021  -3.080
  339    HD2  ARG  44           2HD      ARG  44   1.681  15.958  -3.102
  340    HD3  ARG  44           1HD      ARG  44   1.649  15.162  -4.675
  341    HE   ARG  44           HE       ARG  44  -0.453  14.145  -3.126
  342   HH11  ARG  44          1HH1      ARG  44   0.492  17.163  -4.631
  343   HH12  ARG  44          2HH1      ARG  44  -1.149  17.689  -4.897
  344   HH21  ARG  44          1HH2      ARG  44  -2.579  14.805  -3.452
  345   HH22  ARG  44          2HH2      ARG  44  -2.910  16.339  -4.219
  346    H    ASP  45           H        ASP  45  -0.399  10.986  -2.600
  347    HA   ASP  45           HA       ASP  45  -0.324  12.006   0.100
  348    HB2  ASP  45           2HB      ASP  45  -2.605  11.023  -1.617
  349    HB3  ASP  45           1HB      ASP  45  -2.804  11.649   0.016
  350    H    ASP  46           H        ASP  46  -0.104  10.859   1.840
  351    HA   ASP  46           HA       ASP  46   0.064   7.984   1.760
  352    HB2  ASP  46           2HB      ASP  46   1.533   9.411   3.182
  353    HB3  ASP  46           1HB      ASP  46   0.126   9.870   4.135
  354    H    THR  47           H        THR  47  -2.308  10.360   2.711
  355    HA   THR  47           HA       THR  47  -3.947   8.563   4.206
  356    HB   THR  47           HB       THR  47  -3.982  11.060   4.465
  357    HG1  THR  47           1HG      THR  47  -5.955   9.317   4.618
  358   HG21  THR  47          3HG2      THR  47  -5.569  10.936   1.895
  359   HG22  THR  47          1HG2      THR  47  -3.990  11.692   2.107
  360   HG23  THR  47          2HG2      THR  47  -5.403  12.355   2.929
  361    H    VAL  48           H        VAL  48  -3.242   8.559   1.021
  362    HA   VAL  48           HA       VAL  48  -5.829   7.377   0.286
  363    HB   VAL  48           HB       VAL  48  -3.514   8.136  -1.517
  364   HG11  VAL  48          1HG1      VAL  48  -5.088   7.763  -3.355
  365   HG12  VAL  48          2HG1      VAL  48  -6.308   7.221  -2.202
  366   HG13  VAL  48          3HG1      VAL  48  -4.824   6.292  -2.420
  367   HG21  VAL  48          3HG2      VAL  48  -4.566  10.111  -0.571
  368   HG22  VAL  48          1HG2      VAL  48  -6.154   9.524  -1.068
  369   HG23  VAL  48          2HG2      VAL  48  -4.956   9.965  -2.285
  370    H    ARG  49           H        ARG  49  -2.486   6.787   0.865
  371    HA   ARG  49           HA       ARG  49  -2.020   4.370  -0.465
  372    HB2  ARG  49           2HB      ARG  49  -0.902   5.429   2.139
  373    HB3  ARG  49           1HB      ARG  49  -0.248   4.046   1.305
  374    HG2  ARG  49           2HG      ARG  49   0.256   5.445  -0.622
  375    HG3  ARG  49           1HG      ARG  49  -0.441   6.799   0.244
  376    HD2  ARG  49           2HD      ARG  49   1.268   6.518   2.009
  377    HD3  ARG  49           1HD      ARG  49   1.999   5.247   1.035
  378    HE   ARG  49           HE       ARG  49   2.014   7.270  -0.689
  379   HH11  ARG  49          1HH1      ARG  49   2.847   7.245   2.708
  380   HH12  ARG  49          2HH1      ARG  49   4.135   8.404   2.534
  381   HH21  ARG  49          1HH2      ARG  49   3.663   8.812  -0.930
  382   HH22  ARG  49          2HH2      ARG  49   4.599   9.306   0.453
  383    H    GLU  50           H        GLU  50  -3.383   4.982   2.746
  384    HA   GLU  50           HA       GLU  50  -3.372   2.157   3.203
  385    HB2  GLU  50           2HB      GLU  50  -4.841   3.248   5.188
  386    HB3  GLU  50           1HB      GLU  50  -3.271   2.698   5.282
  387    HG2  GLU  50           2HG      GLU  50  -3.476   4.720   6.259
  388    HG3  GLU  50           1HG      GLU  50  -2.416   4.863   4.975
  389    H    SER  51           H        SER  51  -5.774   4.536   2.311
  390    HA   SER  51           HA       SER  51  -7.969   2.758   2.457
  391    HB2  SER  51           2HB      SER  51  -7.529   5.007   0.468
  392    HB3  SER  51           1HB      SER  51  -9.079   4.281   0.900
  393    HG   SER  51           HG       SER  51  -7.972   4.997   3.161
  394    H    LEU  52           H        LEU  52  -5.193   2.589   0.657
  395    HA   LEU  52           HA       LEU  52  -6.097   1.492  -1.692
  396    HB2  LEU  52           2HB      LEU  52  -3.472   1.455  -0.422
  397    HB3  LEU  52           1HB      LEU  52  -3.742   0.742  -1.959
  398    HG   LEU  52           HG       LEU  52  -3.979   3.656  -1.257
  399   HD11  LEU  52          1HD1      LEU  52  -2.280   2.234  -3.283
  400   HD12  LEU  52          2HD1      LEU  52  -1.736   2.908  -1.748
  401   HD13  LEU  52          3HD1      LEU  52  -2.336   3.975  -3.016
  402   HD21  LEU  52          3HD2      LEU  52  -4.784   2.344  -3.846
  403   HD22  LEU  52          1HD2      LEU  52  -4.702   4.079  -3.551
  404   HD23  LEU  52          2HD2      LEU  52  -5.869   3.090  -2.671
  405    H    PHE  53           H        PHE  53  -5.021   0.338   0.976
  406    HA   PHE  53           HA       PHE  53  -4.181  -2.155   0.038
  407    HB2  PHE  53           2HB      PHE  53  -2.893  -1.208   1.493
  408    HB3  PHE  53           1HB      PHE  53  -4.145   0.065   1.623
  409    HD1  PHE  53           1HD      PHE  53  -5.727  -0.157   3.468
  410    HD2  PHE  53           2HD      PHE  53  -2.408  -2.733   3.159
  411    HE1  PHE  53           1HE      PHE  53  -6.014  -0.770   5.854
  412    HE2  PHE  53           2HE      PHE  53  -2.655  -3.382   5.536
  413    HZ   PHE  53           HZ       PHE  53  -4.469  -2.392   6.884
  414    H    GLU  54           H        GLU  54  -6.675  -0.767   1.961
  415    HA   GLU  54           HA       GLU  54  -8.054  -3.028   2.914
  416    HB2  GLU  54           2HB      GLU  54  -9.744  -0.802   1.954
  417    HB3  GLU  54           1HB      GLU  54  -9.693  -1.569   3.532
  418    HG2  GLU  54           2HG      GLU  54  -7.614  -0.335   4.015
  419    HG3  GLU  54           1HG      GLU  54  -7.801   0.490   2.463
  420    H    GLU  55           H        GLU  55  -8.129  -1.392  -0.199
  421    HA   GLU  55           HA       GLU  55 -10.295  -2.909  -1.278
  422    HB2  GLU  55           2HB      GLU  55  -8.116  -1.679  -2.958
  423    HB3  GLU  55           1HB      GLU  55  -9.818  -1.875  -3.347
  424    HG2  GLU  55           2HG      GLU  55  -8.733   0.010  -1.270
  425    HG3  GLU  55           1HG      GLU  55  -9.157   0.457  -2.920
  426    H    TRP  56           H        TRP  56  -6.768  -3.127  -1.672
  427    HA   TRP  56           HA       TRP  56  -6.835  -5.446  -3.253
  428    HB2  TRP  56           2HB      TRP  56  -5.000  -4.221  -3.580
  429    HB3  TRP  56           1HB      TRP  56  -4.746  -3.972  -1.868
  430    HD1  TRP  56           HD       TRP  56  -4.010  -6.649  -4.352
  431    HE1  TRP  56           1HE      TRP  56  -2.280  -8.269  -3.399
  432    HE3  TRP  56           3HE      TRP  56  -3.556  -4.176  -0.700
  433    HZ2  TRP  56           2HZ      TRP  56  -0.688  -8.149  -1.106
  434    HZ3  TRP  56           3HZ      TRP  56  -1.835  -4.567   0.458
  435    HH2  TRP  56           HH       TRP  56  -0.439  -6.501   0.666
  436    H    CYS  57           H        CYS  57  -7.234  -4.915  -0.068
  437    HA   CYS  57           HA       CYS  57  -6.285  -7.240   1.203
  438    HB2  CYS  57           2HB      CYS  57  -6.935  -5.383   2.565
  439    HB3  CYS  57           1HB      CYS  57  -8.553  -5.348   1.874
  440    HG   CYS  57           HG       CYS  57  -9.454  -6.491   3.995
  441    H    GLY  58           H        GLY  58  -9.513  -6.360  -0.049
  442    HA2  GLY  58           2HA      GLY  58 -10.275  -9.216   0.004
  443    HA3  GLY  58           1HA      GLY  58 -11.399  -7.860  -0.073
  444    H    GLU  59           H        GLU  59  -8.483  -7.973  -1.878
  445    HA   GLU  59           HA       GLU  59  -9.983  -7.532  -4.312
  446    HB2  GLU  59           2HB      GLU  59  -7.871  -6.254  -3.359
  447    HB3  GLU  59           1HB      GLU  59  -6.999  -7.602  -4.110
  448    HG2  GLU  59           2HG      GLU  59  -7.092  -5.696  -5.611
  449    HG3  GLU  59           1HG      GLU  59  -7.945  -7.085  -6.284
  Start of MODEL   11
    1    H1   ASP   5           H        ASP   5  -6.921   7.351  -9.083
    2    HA   ASP   5           HA       ASP   5  -9.712   7.352  -8.511
    3    HB2  ASP   5           2HB      ASP   5 -10.589   8.183 -10.623
    4    HB3  ASP   5           1HB      ASP   5  -9.643   9.435  -9.833
    5    H    ILE   6           H        ILE   6  -8.711   5.275  -8.184
    6    HA   ILE   6           HA       ILE   6  -8.062   3.184  -8.678
    7    HB   ILE   6           HB       ILE   6  -9.571   1.887 -10.070
    8   HG12  ILE   6          2HG1      ILE   6 -11.025   4.498 -10.572
    9   HG13  ILE   6          1HG1      ILE   6 -10.112   3.604 -11.783
   10   HG21  ILE   6          1HG2      ILE   6 -10.073   2.269  -7.737
   11   HG22  ILE   6          2HG2      ILE   6 -11.572   2.243  -8.667
   12   HG23  ILE   6          3HG2      ILE   6 -10.893   3.779  -8.130
   13   HD11  ILE   6          3HD1      ILE   6 -12.585   2.658 -10.358
   14   HD12  ILE   6          1HD1      ILE   6 -11.662   1.724 -11.536
   15   HD13  ILE   6          2HD1      ILE   6 -12.478   3.207 -12.030
   16    H    ASP   7           H        ASP   7  -6.124   3.259  -9.419
   17    HA   ASP   7           HA       ASP   7  -5.522   2.259 -11.858
   18    HB2  ASP   7           2HB      ASP   7  -5.973   4.488 -12.748
   19    HB3  ASP   7           1HB      ASP   7  -4.740   5.080 -11.640
   20    H    GLU   8           H        GLU   8  -4.635   4.160  -9.917
   21    HA   GLU   8           HA       GLU   8  -1.846   3.483  -9.490
   22    HB2  GLU   8           2HB      GLU   8  -1.728   5.366  -7.994
   23    HB3  GLU   8           1HB      GLU   8  -2.648   5.841  -9.413
   24    HG2  GLU   8           2HG      GLU   8  -3.789   5.091  -6.728
   25    HG3  GLU   8           1HG      GLU   8  -3.631   6.725  -7.369
   26    H    ARG   9           H        ARG   9  -4.862   2.976  -7.829
   27    HA   ARG   9           HA       ARG   9  -3.975   2.234  -5.305
   28    HB2  ARG   9           2HB      ARG   9  -6.113   1.127  -5.055
   29    HB3  ARG   9           1HB      ARG   9  -6.328   2.594  -5.986
   30    HG2  ARG   9           2HG      ARG   9  -6.414   1.280  -8.048
   31    HG3  ARG   9           1HG      ARG   9  -6.235  -0.191  -7.101
   32    HD2  ARG   9           2HD      ARG   9  -8.316   0.340  -5.910
   33    HD3  ARG   9           1HD      ARG   9  -8.512   1.780  -6.907
   34    HE   ARG   9           HE       ARG   9  -8.676   0.220  -8.831
   35   HH11  ARG   9          1HH1      ARG   9  -9.469  -0.823  -5.592
   36   HH12  ARG   9          2HH1      ARG   9 -10.424  -2.186  -6.122
   37   HH21  ARG   9          1HH2      ARG   9  -9.984  -1.529  -9.552
   38   HH22  ARG   9          2HH2      ARG   9 -10.718  -2.587  -8.376
   39    H    ASN  10           H        ASN  10  -4.483   0.167  -8.131
   40    HA   ASN  10           HA       ASN  10  -3.827  -2.288  -6.852
   41    HB2  ASN  10           2HB      ASN  10  -3.811  -1.473  -9.781
   42    HB3  ASN  10           1HB      ASN  10  -3.475  -3.114  -9.235
   43   HD21  ASN  10          1HD2      ASN  10  -5.899  -0.659  -9.605
   44   HD22  ASN  10          2HD2      ASN  10  -7.262  -1.658  -9.242
   45    H    ILE  11           H        ILE  11  -1.858   0.260  -8.079
   46    HA   ILE  11           HA       ILE  11   0.553  -1.111  -8.355
   47    HB   ILE  11           HB       ILE  11   0.127   1.680  -7.264
   48   HG12  ILE  11          2HG1      ILE  11   0.755   0.738 -10.071
   49   HG13  ILE  11          1HG1      ILE  11  -0.806   1.336  -9.524
   50   HG21  ILE  11          1HG2      ILE  11   2.615   0.380  -8.376
   51   HG22  ILE  11          2HG2      ILE  11   2.334   0.828  -6.694
   52   HG23  ILE  11          3HG2      ILE  11   2.456   2.080  -7.928
   53   HD11  ILE  11          3HD1      ILE  11   0.185   3.515  -9.073
   54   HD12  ILE  11          1HD1      ILE  11   0.409   3.035 -10.754
   55   HD13  ILE  11          2HD1      ILE  11   1.752   2.917  -9.618
   56    H    PHE  12           H        PHE  12  -1.023   0.275  -5.439
   57    HA   PHE  12           HA       PHE  12   1.249  -0.302  -3.821
   58    HB2  PHE  12           2HB      PHE  12  -1.458   0.792  -3.357
   59    HB3  PHE  12           1HB      PHE  12  -0.662   0.058  -1.967
   60    HD1  PHE  12           1HD      PHE  12   0.638   2.109  -4.819
   61    HD2  PHE  12           2HD      PHE  12   0.108   1.808  -0.585
   62    HE1  PHE  12           1HE      PHE  12   1.885   4.190  -4.503
   63    HE2  PHE  12           2HE      PHE  12   1.372   3.883  -0.290
   64    HZ   PHE  12           HZ       PHE  12   2.255   5.081  -2.244
   65    H    PHE  13           H        PHE  13  -2.007  -1.879  -3.816
   66    HA   PHE  13           HA       PHE  13  -1.920  -4.418  -2.439
   67    HB2  PHE  13           2HB      PHE  13  -2.210  -4.293  -5.125
   68    HB3  PHE  13           1HB      PHE  13  -3.138  -5.043  -4.082
   69    HD1  PHE  13           2HD      PHE  13  -3.254  -1.862  -2.877
   70    HD2  PHE  13           1HD      PHE  13  -4.616  -4.196  -6.158
   71    HE1  PHE  13           2HE      PHE  13  -5.220  -0.409  -3.113
   72    HE2  PHE  13           1HE      PHE  13  -6.593  -2.774  -6.363
   73    HZ   PHE  13           HZ       PHE  13  -6.904  -0.882  -4.840
   74    H    GLU  14           H        GLU  14  -0.458  -3.625  -5.687
   75    HA   GLU  14           HA       GLU  14   0.738  -6.194  -5.922
   76    HB2  GLU  14           2HB      GLU  14   1.050  -3.628  -7.448
   77    HB3  GLU  14           1HB      GLU  14   2.147  -4.970  -7.748
   78    HG2  GLU  14           2HG      GLU  14  -0.852  -5.084  -7.976
   79    HG3  GLU  14           1HG      GLU  14   0.274  -4.924  -9.324
   80    H    LEU  15           H        LEU  15   2.049  -3.009  -5.056
   81    HA   LEU  15           HA       LEU  15   4.622  -3.922  -4.296
   82    HB2  LEU  15           2HB      LEU  15   3.204  -1.757  -2.781
   83    HB3  LEU  15           1HB      LEU  15   4.897  -1.874  -3.189
   84    HG   LEU  15           HG       LEU  15   2.681  -1.259  -5.112
   85   HD11  LEU  15          1HD1      LEU  15   3.612   1.006  -5.140
   86   HD12  LEU  15          2HD1      LEU  15   4.733   0.547  -3.858
   87   HD13  LEU  15          3HD1      LEU  15   2.996   0.553  -3.552
   88   HD21  LEU  15          3HD2      LEU  15   5.677  -1.231  -5.481
   89   HD22  LEU  15          1HD2      LEU  15   4.493  -0.692  -6.673
   90   HD23  LEU  15          2HD2      LEU  15   4.554  -2.390  -6.191
   91    H    PHE  16           H        PHE  16   1.405  -4.080  -2.877
   92    HA   PHE  16           HA       PHE  16   2.301  -4.247  -0.214
   93    HB2  PHE  16           2HB      PHE  16  -0.106  -4.322  -1.835
   94    HB3  PHE  16           1HB      PHE  16  -0.238  -4.881  -0.212
   95    HD1  PHE  16           2HD      PHE  16   2.001  -2.290   0.039
   96    HD2  PHE  16           1HD      PHE  16  -2.187  -2.963  -0.831
   97    HE1  PHE  16           2HE      PHE  16   1.446  -0.010   0.790
   98    HE2  PHE  16           1HE      PHE  16  -2.662  -0.700  -0.081
   99    HZ   PHE  16           HZ       PHE  16  -0.898   0.765   0.720
  100    H    ASP  17           H        ASP  17   1.445  -6.373  -2.781
  101    HA   ASP  17           HA       ASP  17   1.706  -8.786  -1.247
  102    HB2  ASP  17           2HB      ASP  17   0.316  -8.593  -3.326
  103    HB3  ASP  17           1HB      ASP  17   1.801  -8.423  -4.244
  104    H    ARG  18           H        ARG  18   3.606  -7.067  -3.617
  105    HA   ARG  18           HA       ARG  18   5.808  -8.755  -3.784
  106    HB2  ARG  18           2HB      ARG  18   5.274  -6.716  -5.187
  107    HB3  ARG  18           1HB      ARG  18   5.939  -5.745  -3.884
  108    HG2  ARG  18           2HG      ARG  18   8.100  -6.749  -4.167
  109    HG3  ARG  18           1HG      ARG  18   7.457  -7.877  -5.362
  110    HD2  ARG  18           2HD      ARG  18   7.618  -4.877  -5.623
  111    HD3  ARG  18           1HD      ARG  18   8.613  -6.061  -6.472
  112    HE   ARG  18           HE       ARG  18   6.057  -6.749  -7.146
  113   HH11  ARG  18          1HH1      ARG  18   7.912  -3.791  -7.306
  114   HH12  ARG  18          2HH1      ARG  18   7.105  -3.190  -8.718
  115   HH21  ARG  18          1HH2      ARG  18   4.958  -5.970  -9.009
  116   HH22  ARG  18          2HH2      ARG  18   5.413  -4.434  -9.684
  117    H    TYR  19           H        TYR  19   4.893  -6.512  -1.294
  118    HA   TYR  19           HA       TYR  19   7.454  -7.029   0.080
  119    HB2  TYR  19           2HB      TYR  19   5.542  -4.715   0.536
  120    HB3  TYR  19           1HB      TYR  19   7.077  -4.965   1.362
  121    HD1  TYR  19           2HD      TYR  19   8.524  -5.934  -1.233
  122    HD2  TYR  19           1HD      TYR  19   6.154  -2.511  -0.335
  123    HE1  TYR  19           2HE      TYR  19   9.650  -4.689  -3.024
  124    HE2  TYR  19           1HE      TYR  19   7.267  -1.266  -2.136
  125    HH   TYR  19           HH       TYR  19   8.986  -1.260  -3.595
  126    H    LYS  20           H        LYS  20   4.635  -8.296  -0.163
  127    HA   LYS  20           HA       LYS  20   3.231  -9.565   1.080
  128    HB2  LYS  20           2HB      LYS  20   5.799  -9.832   2.532
  129    HB3  LYS  20           1HB      LYS  20   4.387 -10.708   3.061
  130    HG2  LYS  20           2HG      LYS  20   5.646 -12.200   1.732
  131    HG3  LYS  20           1HG      LYS  20   4.263 -11.705   0.762
  132    HD2  LYS  20           2HD      LYS  20   5.795  -9.976  -0.282
  133    HD3  LYS  20           1HD      LYS  20   7.128 -10.824   0.505
  134    HE2  LYS  20           2HE      LYS  20   6.861 -11.597  -1.786
  135    HE3  LYS  20           1HE      LYS  20   6.483 -12.891  -0.647
  136    HZ1  LYS  20           3HZ      LYS  20   4.462 -11.170  -1.980
  137    HZ2  LYS  20           1HZ      LYS  20   4.143 -12.495  -0.975
  138    HZ3  LYS  20           2HZ      LYS  20   4.876 -12.731  -2.487
  139    H    LEU  21           H        LEU  21   1.923  -7.747   1.716
  140    HA   LEU  21           HA       LEU  21   2.185  -7.159   4.556
  141    HB2  LEU  21           2HB      LEU  21   0.157  -6.154   2.580
  142    HB3  LEU  21           1HB      LEU  21   0.247  -5.688   4.267
  143    HG   LEU  21           HG       LEU  21   2.177  -5.161   2.134
  144   HD11  LEU  21          1HD1      LEU  21   0.332  -3.641   2.143
  145   HD12  LEU  21          2HD1      LEU  21   1.796  -2.809   2.660
  146   HD13  LEU  21          3HD1      LEU  21   0.602  -3.315   3.854
  147   HD21  LEU  21          3HD2      LEU  21   3.609  -4.032   3.761
  148   HD22  LEU  21          1HD2      LEU  21   3.478  -5.769   4.041
  149   HD23  LEU  21          2HD2      LEU  21   2.557  -4.643   5.039
  150    H    ASP  22           H        ASP  22   0.823  -7.642   5.994
  151    HA   ASP  22           HA       ASP  22  -1.150  -9.731   5.465
  152    HB2  ASP  22           2HB      ASP  22  -0.426  -8.375   8.091
  153    HB3  ASP  22           1HB      ASP  22  -1.509  -9.753   7.917
  154    H    LYS  23           H        LYS  23  -2.416  -8.730   4.213
  155    HA   LYS  23           HA       LYS  23  -2.911  -6.003   4.152
  156    HB2  LYS  23           2HB      LYS  23  -3.486  -8.104   2.532
  157    HB3  LYS  23           1HB      LYS  23  -5.091  -7.572   3.031
  158    HG2  LYS  23           2HG      LYS  23  -3.112  -6.238   1.283
  159    HG3  LYS  23           1HG      LYS  23  -4.885  -6.088   1.359
  160    HD2  LYS  23           2HD      LYS  23  -4.260  -4.005   2.037
  161    HD3  LYS  23           1HD      LYS  23  -4.286  -4.814   3.606
  162    HE2  LYS  23           2HE      LYS  23  -1.735  -5.251   2.410
  163    HE3  LYS  23           1HE      LYS  23  -2.111  -3.524   2.309
  164    HZ1  LYS  23           3HZ      LYS  23  -2.599  -3.559   4.706
  165    HZ2  LYS  23           1HZ      LYS  23  -0.995  -3.974   4.365
  166    HZ3  LYS  23           2HZ      LYS  23  -2.111  -5.176   4.777
  167    H    PHE  24           H        PHE  24  -4.368  -8.311   6.264
  168    HA   PHE  24           HA       PHE  24  -6.755  -6.640   6.641
  169    HB2  PHE  24           2HB      PHE  24  -7.741  -8.702   7.665
  170    HB3  PHE  24           1HB      PHE  24  -7.319  -8.867   5.964
  171    HD1  PHE  24           2HD      PHE  24  -5.462 -10.276   5.269
  172    HD2  PHE  24           1HD      PHE  24  -6.533  -9.914   9.374
  173    HE1  PHE  24           2HE      PHE  24  -4.093 -12.249   5.796
  174    HE2  PHE  24           1HE      PHE  24  -5.168 -11.890   9.906
  175    HZ   PHE  24           HZ       PHE  24  -3.947 -13.059   8.117
  176    H    SER  25           H        SER  25  -3.822  -7.104   8.137
  177    HA   SER  25           HA       SER  25  -4.775  -7.481  10.837
  178    HB2  SER  25           2HB      SER  25  -2.603  -8.413  10.084
  179    HB3  SER  25           1HB      SER  25  -1.984  -6.780   9.884
  180    HG   SER  25           HG       SER  25  -1.907  -8.234  12.041
  181    H    THR  26           H        THR  26  -2.528  -4.951   9.738
  182    HA   THR  26           HA       THR  26  -4.351  -2.824  10.718
  183    HB   THR  26           HB       THR  26  -1.762  -1.867  11.181
  184    HG1  THR  26           1HG      THR  26  -2.073  -4.564  11.934
  185   HG21  THR  26          3HG2      THR  26  -2.531  -1.690  13.512
  186   HG22  THR  26          1HG2      THR  26  -3.868  -2.789  13.163
  187   HG23  THR  26          2HG2      THR  26  -3.794  -1.213  12.374
  188    H    TRP  27           H        TRP  27  -3.884  -0.909   9.919
  189    HA   TRP  27           HA       TRP  27  -3.230  -1.024   7.168
  190    HB2  TRP  27           2HB      TRP  27  -4.495   0.851   7.722
  191    HB3  TRP  27           1HB      TRP  27  -3.546   1.180   9.168
  192    HD1  TRP  27           HD       TRP  27  -2.433   3.479   8.731
  193    HE1  TRP  27           1HE      TRP  27  -1.264   4.713   6.939
  194    HE3  TRP  27           3HE      TRP  27  -2.932  -0.026   5.220
  195    HZ2  TRP  27           2HZ      TRP  27  -0.725   4.340   4.323
  196    HZ3  TRP  27           3HZ      TRP  27  -2.143   0.596   2.970
  197    HH2  TRP  27           HH       TRP  27  -1.204   2.796   2.667
  198    H    SER  28           H        SER  28  -1.465   0.393   9.919
  199    HA   SER  28           HA       SER  28   0.710   0.498   8.180
  200    HB2  SER  28           2HB      SER  28   1.959   1.286  10.047
  201    HB3  SER  28           1HB      SER  28   1.012   2.274   9.043
  202    HG   SER  28           HG       SER  28   0.600   2.831  11.230
  203    H    LEU  29           H        LEU  29   0.125  -1.721  10.802
  204    HA   LEU  29           HA       LEU  29   2.747  -2.482  11.212
  205    HB2  LEU  29           2HB      LEU  29   0.452  -3.593  11.980
  206    HB3  LEU  29           1HB      LEU  29   0.738  -4.632  10.601
  207    HG   LEU  29           HG       LEU  29   1.483  -5.645  12.714
  208   HD11  LEU  29          1HD1      LEU  29   3.744  -4.983  10.842
  209   HD12  LEU  29          2HD1      LEU  29   2.590  -6.306  10.663
  210   HD13  LEU  29          3HD1      LEU  29   3.724  -6.302  12.014
  211   HD21  LEU  29          3HD2      LEU  29   3.435  -3.352  12.809
  212   HD22  LEU  29          1HD2      LEU  29   3.442  -4.755  13.878
  213   HD23  LEU  29          2HD2      LEU  29   2.089  -3.625  13.913
  214    H    GLN  30           H        GLN  30   0.659  -2.704   8.549
  215    HA   GLN  30           HA       GLN  30   2.540  -4.165   6.871
  216    HB2  GLN  30           2HB      GLN  30  -0.231  -3.127   6.284
  217    HB3  GLN  30           1HB      GLN  30   0.817  -3.924   5.085
  218    HG2  GLN  30           2HG      GLN  30  -0.967  -5.352   6.200
  219    HG3  GLN  30           1HG      GLN  30   0.658  -5.988   6.161
  220   HE21  GLN  30          1HE2      GLN  30   1.750  -6.356   8.065
  221   HE22  GLN  30          2HE2      GLN  30   0.979  -6.277   9.603
  222    H    SER  31           H        SER  31   0.962  -0.951   6.925
  223    HA   SER  31           HA       SER  31   2.512   0.065   4.817
  224    HB2  SER  31           2HB      SER  31   1.569   2.237   5.162
  225    HB3  SER  31           1HB      SER  31   0.339   0.983   5.120
  226    HG   SER  31           HG       SER  31  -0.004   2.435   6.824
  227    H    LYS  32           H        LYS  32   3.261  -0.046   8.098
  228    HA   LYS  32           HA       LYS  32   5.339   1.873   8.117
  229    HB2  LYS  32           2HB      LYS  32   5.025  -0.759   9.588
  230    HB3  LYS  32           1HB      LYS  32   6.350   0.358   9.878
  231    HG2  LYS  32           2HG      LYS  32   3.480   1.179  10.172
  232    HG3  LYS  32           1HG      LYS  32   4.384   0.421  11.486
  233    HD2  LYS  32           2HD      LYS  32   5.116   2.982  10.056
  234    HD3  LYS  32           1HD      LYS  32   4.426   2.858  11.675
  235    HE2  LYS  32           2HE      LYS  32   7.080   1.701  10.824
  236    HE3  LYS  32           1HE      LYS  32   6.871   3.218  11.695
  237    HZ1  LYS  32           3HZ      LYS  32   7.438   1.288  13.118
  238    HZ2  LYS  32           1HZ      LYS  32   5.951   0.582  12.715
  239    HZ3  LYS  32           2HZ      LYS  32   5.990   2.053  13.561
  240    H    LYS  33           H        LYS  33   4.713  -0.664   6.160
  241    HA   LYS  33           HA       LYS  33   7.585  -1.547   6.066
  242    HB2  LYS  33           2HB      LYS  33   5.157  -3.026   5.032
  243    HB3  LYS  33           1HB      LYS  33   6.818  -3.578   4.884
  244    HG2  LYS  33           2HG      LYS  33   7.005  -3.764   7.290
  245    HG3  LYS  33           1HG      LYS  33   5.379  -3.114   7.487
  246    HD2  LYS  33           2HD      LYS  33   5.039  -5.397   7.695
  247    HD3  LYS  33           1HD      LYS  33   4.655  -5.107   6.000
  248    HE2  LYS  33           2HE      LYS  33   7.380  -5.993   6.920
  249    HE3  LYS  33           1HE      LYS  33   6.098  -7.135   6.541
  250    HZ1  LYS  33           3HZ      LYS  33   7.494  -6.878   4.644
  251    HZ2  LYS  33           1HZ      LYS  33   7.354  -5.188   4.679
  252    HZ3  LYS  33           2HZ      LYS  33   6.012  -6.148   4.290
  253    H    ILE  34           H        ILE  34   5.265   0.242   4.556
  254    HA   ILE  34           HA       ILE  34   6.844   0.314   2.090
  255    HB   ILE  34           HB       ILE  34   4.609   1.798   1.484
  256   HG12  ILE  34          2HG1      ILE  34   3.277   0.975   3.437
  257   HG13  ILE  34          1HG1      ILE  34   2.654   0.441   1.946
  258   HG21  ILE  34          1HG2      ILE  34   5.151  -1.096   0.888
  259   HG22  ILE  34          2HG2      ILE  34   5.757   0.303   0.001
  260   HG23  ILE  34          3HG2      ILE  34   4.032  -0.065   0.001
  261   HD11  ILE  34          3HD1      ILE  34   2.562  -1.329   3.546
  262   HD12  ILE  34          1HD1      ILE  34   4.318  -1.272   3.692
  263   HD13  ILE  34          2HD1      ILE  34   3.576  -1.743   2.164
  264    H    GLU  35           H        GLU  35   5.685   1.955   4.817
  265    HA   GLU  35           HA       GLU  35   5.338   4.504   4.500
  266    HB2  GLU  35           2HB      GLU  35   5.765   3.232   6.650
  267    HB3  GLU  35           1HB      GLU  35   7.463   3.644   6.441
  268    HG2  GLU  35           2HG      GLU  35   6.740   6.046   6.336
  269    HG3  GLU  35           1HG      GLU  35   5.161   5.491   6.819
  270    H    ASN  36           H        ASN  36   8.674   3.959   5.380
  271    HA   ASN  36           HA       ASN  36   9.500   6.244   3.818
  272    HB2  ASN  36           2HB      ASN  36  11.024   4.386   5.641
  273    HB3  ASN  36           1HB      ASN  36  11.785   5.713   4.769
  274   HD21  ASN  36          1HD2      ASN  36   9.368   7.394   5.039
  275   HD22  ASN  36          2HD2      ASN  36   9.353   7.932   6.687
  276    H    ASP  37           H        ASP  37   8.700   3.529   2.606
  277    HA   ASP  37           HA       ASP  37  11.053   3.034   0.943
  278    HB2  ASP  37           2HB      ASP  37   8.337   1.694   1.077
  279    HB3  ASP  37           1HB      ASP  37   9.579   1.247  -0.089
  280    HA   PRO  38           HA       PRO  38   9.972   5.911  -2.170
  281    HB2  PRO  38           2HB      PRO  38  10.633   3.752  -4.112
  282    HB3  PRO  38           1HB      PRO  38  11.268   5.397  -3.995
  283    HG2  PRO  38           2HG      PRO  38  12.725   3.312  -3.208
  284    HG3  PRO  38           1HG      PRO  38  12.762   4.847  -2.319
  285    HD2  PRO  38           2HD      PRO  38  11.402   2.283  -1.629
  286    HD3  PRO  38           1HD      PRO  38  12.177   3.475  -0.566
  287    H    ASP  39           H        ASP  39   8.573   2.718  -2.215
  288    HA   ASP  39           HA       ASP  39   6.785   3.297  -4.388
  289    HB2  ASP  39           2HB      ASP  39   7.156   0.925  -2.589
  290    HB3  ASP  39           1HB      ASP  39   5.803   1.030  -3.715
  291    H    PHE  40           H        PHE  40   6.605   3.444  -0.899
  292    HA   PHE  40           HA       PHE  40   3.752   3.661  -0.718
  293    HB2  PHE  40           2HB      PHE  40   5.402   3.140   1.108
  294    HB3  PHE  40           1HB      PHE  40   5.874   4.822   1.079
  295    HD1  PHE  40           1HD      PHE  40   2.747   2.731   1.634
  296    HD2  PHE  40           2HD      PHE  40   5.028   6.200   2.624
  297    HE1  PHE  40           1HE      PHE  40   1.288   3.153   3.529
  298    HE2  PHE  40           2HE      PHE  40   3.534   6.619   4.520
  299    HZ   PHE  40           HZ       PHE  40   1.699   5.066   4.985
  300    H    TYR  41           H        TYR  41   6.328   5.738  -1.634
  301    HA   TYR  41           HA       TYR  41   4.760   8.168  -1.407
  302    HB2  TYR  41           2HB      TYR  41   7.552   7.692  -2.468
  303    HB3  TYR  41           1HB      TYR  41   6.792   9.272  -2.322
  304    HD1  TYR  41           1HD      TYR  41   5.950   9.901   0.072
  305    HD2  TYR  41           2HD      TYR  41   8.848   6.891  -0.718
  306    HE1  TYR  41           1HE      TYR  41   6.765  10.091   2.382
  307    HE2  TYR  41           2HE      TYR  41   9.671   7.068   1.594
  308    HH   TYR  41           HH       TYR  41   7.992   8.941   4.003
  309    H    LYS  42           H        LYS  42   4.602   5.697  -3.461
  310    HA   LYS  42           HA       LYS  42   4.545   6.950  -6.007
  311    HB2  LYS  42           2HB      LYS  42   3.175   4.489  -4.921
  312    HB3  LYS  42           1HB      LYS  42   2.971   5.007  -6.585
  313    HG2  LYS  42           2HG      LYS  42   5.586   4.279  -5.278
  314    HG3  LYS  42           1HG      LYS  42   4.653   3.249  -6.362
  315    HD2  LYS  42           2HD      LYS  42   4.942   4.865  -8.164
  316    HD3  LYS  42           1HD      LYS  42   5.837   5.927  -7.077
  317    HE2  LYS  42           2HE      LYS  42   7.344   4.658  -8.515
  318    HE3  LYS  42           1HE      LYS  42   7.569   4.233  -6.821
  319    HZ1  LYS  42           3HZ      LYS  42   5.791   2.631  -8.548
  320    HZ2  LYS  42           1HZ      LYS  42   6.591   2.170  -7.124
  321    HZ3  LYS  42           2HZ      LYS  42   7.465   2.371  -8.565
  322    H    ILE  43           H        ILE  43   2.343   6.763  -3.335
  323    HA   ILE  43           HA       ILE  43   0.412   8.407  -4.826
  324    HB   ILE  43           HB       ILE  43  -0.027   6.745  -2.336
  325   HG12  ILE  43          2HG1      ILE  43   0.045   5.369  -4.319
  326   HG13  ILE  43          1HG1      ILE  43  -1.632   5.525  -3.805
  327   HG21  ILE  43          1HG2      ILE  43  -2.384   7.417  -2.512
  328   HG22  ILE  43          2HG2      ILE  43  -1.962   8.514  -3.826
  329   HG23  ILE  43          3HG2      ILE  43  -1.324   8.792  -2.206
  330   HD11  ILE  43          3HD1      ILE  43  -2.001   7.215  -5.524
  331   HD12  ILE  43          1HD1      ILE  43  -1.431   5.694  -6.212
  332   HD13  ILE  43          2HD1      ILE  43  -0.321   7.054  -6.037
  333    H    ARG  44           H        ARG  44   0.236  10.443  -4.293
  334    HA   ARG  44           HA       ARG  44   1.949  11.750  -2.520
  335    HB2  ARG  44           2HB      ARG  44   0.956  12.912  -4.384
  336    HB3  ARG  44           1HB      ARG  44  -0.663  12.615  -3.773
  337    HG2  ARG  44           2HG      ARG  44  -0.071  14.018  -1.784
  338    HG3  ARG  44           1HG      ARG  44   1.426  14.442  -2.618
  339    HD2  ARG  44           2HD      ARG  44   0.157  15.378  -4.466
  340    HD3  ARG  44           1HD      ARG  44  -1.355  14.896  -3.696
  341    HE   ARG  44           HE       ARG  44   0.361  16.654  -2.144
  342   HH11  ARG  44          1HH1      ARG  44  -2.366  16.386  -4.328
  343   HH12  ARG  44          2HH1      ARG  44  -3.023  17.935  -3.907
  344   HH21  ARG  44          1HH2      ARG  44  -0.520  18.690  -1.573
  345   HH22  ARG  44          2HH2      ARG  44  -1.983  19.236  -2.341
  346    H    ASP  45           H        ASP  45  -1.558  11.272  -2.237
  347    HA   ASP  45           HA       ASP  45  -1.572  12.241   0.462
  348    HB2  ASP  45           2HB      ASP  45  -3.817  10.956  -1.102
  349    HB3  ASP  45           1HB      ASP  45  -3.971  11.953   0.342
  350    H    ASP  46           H        ASP  46  -1.014  11.038   2.121
  351    HA   ASP  46           HA       ASP  46  -0.788   8.215   2.149
  352    HB2  ASP  46           2HB      ASP  46   0.418   9.730   3.704
  353    HB3  ASP  46           1HB      ASP  46  -1.107  10.119   4.493
  354    H    THR  47           H        THR  47  -3.420  10.389   2.871
  355    HA   THR  47           HA       THR  47  -5.069   8.499   4.213
  356    HB   THR  47           HB       THR  47  -6.007  10.968   2.748
  357    HG1  THR  47           1HG      THR  47  -4.655  10.666   5.235
  358   HG21  THR  47          3HG2      THR  47  -7.701  11.028   4.522
  359   HG22  THR  47          1HG2      THR  47  -7.026   9.556   5.219
  360   HG23  THR  47          2HG2      THR  47  -7.772   9.513   3.622
  361    H    VAL  48           H        VAL  48  -4.069   8.641   1.054
  362    HA   VAL  48           HA       VAL  48  -6.444   7.200   0.098
  363    HB   VAL  48           HB       VAL  48  -4.090   8.265  -1.487
  364   HG11  VAL  48          1HG1      VAL  48  -5.443   7.756  -3.461
  365   HG12  VAL  48          2HG1      VAL  48  -6.681   7.041  -2.431
  366   HG13  VAL  48          3HG1      VAL  48  -5.085   6.299  -2.534
  367   HG21  VAL  48          3HG2      VAL  48  -6.916   9.295  -1.257
  368   HG22  VAL  48          1HG2      VAL  48  -5.681   9.921  -2.348
  369   HG23  VAL  48          2HG2      VAL  48  -5.470  10.064  -0.603
  370    H    ARG  49           H        ARG  49  -3.173   6.853   1.091
  371    HA   ARG  49           HA       ARG  49  -2.438   4.517  -0.326
  372    HB2  ARG  49           2HB      ARG  49  -1.473   5.545   2.345
  373    HB3  ARG  49           1HB      ARG  49  -0.685   4.299   1.432
  374    HG2  ARG  49           2HG      ARG  49  -0.244   5.855  -0.368
  375    HG3  ARG  49           1HG      ARG  49  -1.095   7.096   0.534
  376    HD2  ARG  49           2HD      ARG  49   0.553   6.785   2.377
  377    HD3  ARG  49           1HD      ARG  49   1.458   5.727   1.303
  378    HE   ARG  49           HE       ARG  49   1.390   7.846  -0.216
  379   HH11  ARG  49          1HH1      ARG  49   1.779   7.783   3.270
  380   HH12  ARG  49          2HH1      ARG  49   2.773   9.207   3.298
  381   HH21  ARG  49          1HH2      ARG  49   2.657   9.733  -0.166
  382   HH22  ARG  49          2HH2      ARG  49   3.259  10.327   1.347
  383    H    GLU  50           H        GLU  50  -3.758   4.973   2.942
  384    HA   GLU  50           HA       GLU  50  -3.993   2.125   3.229
  385    HB2  GLU  50           2HB      GLU  50  -5.314   3.055   5.298
  386    HB3  GLU  50           1HB      GLU  50  -3.668   2.727   5.305
  387    HG2  GLU  50           2HG      GLU  50  -4.211   4.680   6.302
  388    HG3  GLU  50           1HG      GLU  50  -3.105   4.950   5.104
  389    H    SER  51           H        SER  51  -5.976   4.554   2.036
  390    HA   SER  51           HA       SER  51  -8.317   2.848   1.925
  391    HB2  SER  51           2HB      SER  51  -7.471   5.030  -0.047
  392    HB3  SER  51           1HB      SER  51  -9.089   4.350   0.137
  393    HG   SER  51           HG       SER  51  -7.637   5.863   2.066
  394    H    LEU  52           H        LEU  52  -5.259   2.508   0.622
  395    HA   LEU  52           HA       LEU  52  -5.934   1.273  -1.774
  396    HB2  LEU  52           2HB      LEU  52  -3.392   1.414  -0.349
  397    HB3  LEU  52           1HB      LEU  52  -3.528   0.704  -1.906
  398    HG   LEU  52           HG       LEU  52  -4.081   3.583  -1.198
  399   HD11  LEU  52          1HD1      LEU  52  -1.749   3.088  -1.548
  400   HD12  LEU  52          2HD1      LEU  52  -2.390   4.125  -2.824
  401   HD13  LEU  52          3HD1      LEU  52  -2.122   2.408  -3.131
  402   HD21  LEU  52          3HD2      LEU  52  -4.591   2.217  -3.826
  403   HD22  LEU  52          1HD2      LEU  52  -4.681   3.954  -3.536
  404   HD23  LEU  52          2HD2      LEU  52  -5.802   2.864  -2.722
  405    H    PHE  53           H        PHE  53  -5.020   0.333   1.042
  406    HA   PHE  53           HA       PHE  53  -4.205  -2.262   0.354
  407    HB2  PHE  53           2HB      PHE  53  -2.997  -1.390   1.977
  408    HB3  PHE  53           1HB      PHE  53  -4.074   0.043   1.678
  409    HD1  PHE  53           2HD      PHE  53  -5.686   0.575   3.274
  410    HD2  PHE  53           1HD      PHE  53  -3.345  -2.863   3.922
  411    HE1  PHE  53           2HE      PHE  53  -6.536   0.452   5.602
  412    HE2  PHE  53           1HE      PHE  53  -4.161  -3.026   6.240
  413    HZ   PHE  53           HZ       PHE  53  -5.768  -1.360   7.088
  414    H    GLU  54           H        GLU  54  -6.725  -0.591   2.012
  415    HA   GLU  54           HA       GLU  54  -8.199  -2.668   3.132
  416    HB2  GLU  54           2HB      GLU  54 -10.104  -0.973   2.952
  417    HB3  GLU  54           1HB      GLU  54  -8.675  -0.438   3.786
  418    HG2  GLU  54           2HG      GLU  54  -8.089   0.950   2.069
  419    HG3  GLU  54           1HG      GLU  54  -9.097   0.104   0.897
  420    H    GLU  55           H        GLU  55  -8.132  -1.431  -0.184
  421    HA   GLU  55           HA       GLU  55 -10.351  -3.071  -1.013
  422    HB2  GLU  55           2HB      GLU  55  -8.313  -1.622  -2.704
  423    HB3  GLU  55           1HB      GLU  55  -9.810  -2.342  -3.280
  424    HG2  GLU  55           2HG      GLU  55 -10.951  -0.763  -1.591
  425    HG3  GLU  55           1HG      GLU  55  -9.414   0.104  -1.619
  426    H    TRP  56           H        TRP  56  -6.813  -3.169  -1.550
  427    HA   TRP  56           HA       TRP  56  -6.833  -5.418  -3.197
  428    HB2  TRP  56           2HB      TRP  56  -4.959  -4.174  -3.371
  429    HB3  TRP  56           1HB      TRP  56  -4.740  -4.097  -1.640
  430    HD1  TRP  56           HD       TRP  56  -4.069  -6.666  -4.306
  431    HE1  TRP  56           1HE      TRP  56  -2.294  -8.308  -3.459
  432    HE3  TRP  56           3HE      TRP  56  -3.507  -4.336  -0.614
  433    HZ2  TRP  56           2HZ      TRP  56  -0.640  -8.269  -1.167
  434    HZ3  TRP  56           3HZ      TRP  56  -1.780  -4.729   0.467
  435    HH2  TRP  56           HH       TRP  56  -0.311  -6.666   0.625
  436    H    CYS  57           H        CYS  57  -7.181  -5.099   0.077
  437    HA   CYS  57           HA       CYS  57  -6.217  -7.535   1.098
  438    HB2  CYS  57           2HB      CYS  57  -6.736  -5.659   2.564
  439    HB3  CYS  57           1HB      CYS  57  -8.436  -5.738   2.110
  440    HG   CYS  57           HG       CYS  57  -8.212  -8.618   3.142
  441    H    GLY  58           H        GLY  58  -9.484  -6.508   0.160
  442    HA2  GLY  58           2HA      GLY  58 -10.213  -9.349  -0.187
  443    HA3  GLY  58           1HA      GLY  58 -11.367  -8.061   0.167
  444    H    GLU  59           H        GLU  59  -8.686  -8.301  -2.106
  445    HA   GLU  59           HA       GLU  59 -10.434  -7.150  -4.157
  446    HB2  GLU  59           2HB      GLU  59  -8.025  -6.276  -3.214
  447    HB3  GLU  59           1HB      GLU  59  -7.505  -7.287  -4.574
  448    HG2  GLU  59           2HG      GLU  59  -9.350  -4.912  -4.691
  449    HG3  GLU  59           1HG      GLU  59  -7.710  -5.028  -5.325
  Start of MODEL   12
    1    H1   ASP   5           H        ASP   5  -7.227   7.190  -8.441
    2    HA   ASP   5           HA       ASP   5 -10.170   7.357  -8.431
    3    HB2  ASP   5           2HB      ASP   5  -8.292   8.238 -10.635
    4    HB3  ASP   5           1HB      ASP   5  -9.999   7.921 -10.913
    5    H    ILE   6           H        ILE   6  -9.335   5.299  -7.635
    6    HA   ILE   6           HA       ILE   6  -8.468   3.181  -7.845
    7    HB   ILE   6           HB       ILE   6 -10.056   1.703  -8.963
    8   HG12  ILE   6          2HG1      ILE   6 -11.602   4.256  -9.496
    9   HG13  ILE   6          1HG1      ILE   6 -10.870   3.231 -10.726
   10   HG21  ILE   6          1HG2      ILE   6 -11.151   3.724  -7.012
   11   HG22  ILE   6          2HG2      ILE   6 -10.263   2.250  -6.624
   12   HG23  ILE   6          3HG2      ILE   6 -11.873   2.148  -7.337
   13   HD11  ILE   6          3HD1      ILE   6 -13.111   2.447  -8.876
   14   HD12  ILE   6          1HD1      ILE   6 -12.378   1.415 -10.105
   15   HD13  ILE   6          2HD1      ILE   6 -13.263   2.864 -10.583
   16    H    ASP   7           H        ASP   7  -6.600   3.248  -8.818
   17    HA   ASP   7           HA       ASP   7  -6.286   1.815 -11.099
   18    HB2  ASP   7           2HB      ASP   7  -6.835   3.805 -12.343
   19    HB3  ASP   7           1HB      ASP   7  -5.533   4.616 -11.475
   20    H    GLU   8           H        GLU   8  -5.124   3.960  -9.590
   21    HA   GLU   8           HA       GLU   8  -2.307   3.255  -9.431
   22    HB2  GLU   8           2HB      GLU   8  -1.974   5.215  -8.091
   23    HB3  GLU   8           1HB      GLU   8  -3.104   5.641  -9.369
   24    HG2  GLU   8           2HG      GLU   8  -3.849   4.975  -6.526
   25    HG3  GLU   8           1HG      GLU   8  -3.734   6.599  -7.208
   26    H    ARG   9           H        ARG   9  -5.139   2.838  -7.541
   27    HA   ARG   9           HA       ARG   9  -4.175   2.056  -5.091
   28    HB2  ARG   9           2HB      ARG   9  -6.248   0.774  -4.886
   29    HB3  ARG   9           1HB      ARG   9  -6.550   2.296  -5.697
   30    HG2  ARG   9           2HG      ARG   9  -6.598   1.151  -7.856
   31    HG3  ARG   9           1HG      ARG   9  -6.305  -0.379  -7.040
   32    HD2  ARG   9           2HD      ARG   9  -8.415  -0.068  -5.789
   33    HD3  ARG   9           1HD      ARG   9  -8.722   1.399  -6.708
   34    HE   ARG   9           HE       ARG   9  -8.530  -0.275  -8.694
   35   HH11  ARG   9          1HH1      ARG   9 -10.121  -0.824  -5.602
   36   HH12  ARG   9          2HH1      ARG   9 -11.168  -2.055  -6.228
   37   HH21  ARG   9          1HH2      ARG   9  -9.909  -1.902  -9.496
   38   HH22  ARG   9          2HH2      ARG   9 -11.040  -2.677  -8.427
   39    H    ASN  10           H        ASN  10  -4.610   0.073  -7.977
   40    HA   ASN  10           HA       ASN  10  -3.819  -2.414  -6.835
   41    HB2  ASN  10           2HB      ASN  10  -3.722  -1.497  -9.743
   42    HB3  ASN  10           1HB      ASN  10  -3.559  -3.164  -9.198
   43   HD21  ASN  10          1HD2      ASN  10  -5.728  -0.501  -9.671
   44   HD22  ASN  10          2HD2      ASN  10  -7.195  -1.385  -9.404
   45    H    ILE  11           H        ILE  11  -1.988   0.281  -7.958
   46    HA   ILE  11           HA       ILE  11   0.456  -1.015  -8.410
   47    HB   ILE  11           HB       ILE  11  -0.026   1.752  -7.282
   48   HG12  ILE  11          2HG1      ILE  11  -1.050   1.461  -9.484
   49   HG13  ILE  11          1HG1      ILE  11   0.350   2.524  -9.594
   50   HG21  ILE  11          1HG2      ILE  11   2.235   0.995  -6.812
   51   HG22  ILE  11          2HG2      ILE  11   2.249   2.261  -8.040
   52   HG23  ILE  11          3HG2      ILE  11   2.464   0.575  -8.509
   53   HD11  ILE  11          3HD1      ILE  11   0.257   0.983 -11.465
   54   HD12  ILE  11          1HD1      ILE  11   0.278  -0.388 -10.354
   55   HD13  ILE  11          2HD1      ILE  11   1.680   0.676 -10.469
   56    H    PHE  12           H        PHE  12  -1.115   0.163  -5.436
   57    HA   PHE  12           HA       PHE  12   1.255  -0.386  -3.912
   58    HB2  PHE  12           2HB      PHE  12  -1.373   0.818  -3.343
   59    HB3  PHE  12           1HB      PHE  12  -0.565   0.031  -1.984
   60    HD1  PHE  12           1HD      PHE  12   0.711   2.018  -4.892
   61    HD2  PHE  12           2HD      PHE  12   0.409   1.683  -0.641
   62    HE1  PHE  12           1HE      PHE  12   2.182   3.965  -4.621
   63    HE2  PHE  12           2HE      PHE  12   1.880   3.628  -0.388
   64    HZ   PHE  12           HZ       PHE  12   2.766   4.772  -2.376
   65    H    PHE  13           H        PHE  13  -2.036  -1.928  -3.777
   66    HA   PHE  13           HA       PHE  13  -1.864  -4.488  -2.436
   67    HB2  PHE  13           2HB      PHE  13  -2.207  -4.429  -5.115
   68    HB3  PHE  13           1HB      PHE  13  -3.117  -5.137  -4.029
   69    HD1  PHE  13           1HD      PHE  13  -3.310  -1.955  -2.911
   70    HD2  PHE  13           2HD      PHE  13  -4.548  -4.374  -6.183
   71    HE1  PHE  13           1HE      PHE  13  -5.340  -0.600  -3.161
   72    HE2  PHE  13           2HE      PHE  13  -6.554  -2.997  -6.450
   73    HZ   PHE  13           HZ       PHE  13  -6.952  -1.120  -4.935
   74    H    GLU  14           H        GLU  14  -0.419  -3.560  -5.677
   75    HA   GLU  14           HA       GLU  14   0.783  -6.091  -6.110
   76    HB2  GLU  14           2HB      GLU  14   0.234  -4.151  -7.773
   77    HB3  GLU  14           1HB      GLU  14   1.826  -3.553  -7.337
   78    HG2  GLU  14           2HG      GLU  14   1.629  -6.385  -8.166
   79    HG3  GLU  14           1HG      GLU  14   1.392  -5.160  -9.408
   80    H    LEU  15           H        LEU  15   2.127  -2.966  -5.092
   81    HA   LEU  15           HA       LEU  15   4.673  -3.893  -4.297
   82    HB2  LEU  15           2HB      LEU  15   3.220  -1.748  -2.787
   83    HB3  LEU  15           1HB      LEU  15   4.921  -1.860  -3.157
   84    HG   LEU  15           HG       LEU  15   2.733  -1.196  -5.092
   85   HD11  LEU  15          1HD1      LEU  15   3.747   1.026  -5.124
   86   HD12  LEU  15          2HD1      LEU  15   4.878   0.521  -3.869
   87   HD13  LEU  15          3HD1      LEU  15   3.151   0.592  -3.523
   88   HD21  LEU  15          3HD2      LEU  15   4.537  -2.395  -6.196
   89   HD22  LEU  15          1HD2      LEU  15   5.721  -1.293  -5.493
   90   HD23  LEU  15          2HD2      LEU  15   4.548  -0.695  -6.667
   91    H    PHE  16           H        PHE  16   1.452  -4.107  -2.882
   92    HA   PHE  16           HA       PHE  16   2.357  -4.249  -0.200
   93    HB2  PHE  16           2HB      PHE  16  -0.062  -4.350  -1.829
   94    HB3  PHE  16           1HB      PHE  16  -0.192  -4.880  -0.200
   95    HD1  PHE  16           1HD      PHE  16   2.001  -2.249   0.042
   96    HD2  PHE  16           2HD      PHE  16  -2.162  -2.996  -0.887
   97    HE1  PHE  16           1HE      PHE  16   1.406   0.043   0.723
   98    HE2  PHE  16           2HE      PHE  16  -2.682  -0.723  -0.191
   99    HZ   PHE  16           HZ       PHE  16  -0.947   0.791   0.592
  100    H    ASP  17           H        ASP  17   1.625  -6.332  -2.826
  101    HA   ASP  17           HA       ASP  17   1.645  -8.791  -1.337
  102    HB2  ASP  17           2HB      ASP  17   0.453  -8.423  -3.535
  103    HB3  ASP  17           1HB      ASP  17   2.026  -8.389  -4.309
  104    H    ARG  18           H        ARG  18   3.835  -7.094  -3.514
  105    HA   ARG  18           HA       ARG  18   5.956  -8.933  -3.393
  106    HB2  ARG  18           2HB      ARG  18   5.777  -7.147  -5.088
  107    HB3  ARG  18           1HB      ARG  18   6.107  -5.948  -3.845
  108    HG2  ARG  18           2HG      ARG  18   8.326  -6.702  -3.566
  109    HG3  ARG  18           1HG      ARG  18   8.023  -8.168  -4.498
  110    HD2  ARG  18           2HD      ARG  18   9.282  -6.591  -5.827
  111    HD3  ARG  18           1HD      ARG  18   7.668  -6.798  -6.503
  112    HE   ARG  18           HE       ARG  18   8.260  -4.498  -4.769
  113   HH11  ARG  18          1HH1      ARG  18   7.247  -5.830  -7.835
  114   HH12  ARG  18          2HH1      ARG  18   6.822  -4.289  -8.514
  115   HH21  ARG  18          1HH2      ARG  18   7.722  -2.444  -5.658
  116   HH22  ARG  18          2HH2      ARG  18   7.108  -2.379  -7.288
  117    H    TYR  19           H        TYR  19   4.857  -6.586  -1.130
  118    HA   TYR  19           HA       TYR  19   7.258  -7.035   0.509
  119    HB2  TYR  19           2HB      TYR  19   5.224  -4.816   0.479
  120    HB3  TYR  19           1HB      TYR  19   6.205  -5.112   1.911
  121    HD1  TYR  19           2HD      TYR  19   6.929  -5.061  -1.766
  122    HD2  TYR  19           1HD      TYR  19   7.915  -3.546   2.089
  123    HE1  TYR  19           2HE      TYR  19   8.773  -3.773  -2.748
  124    HE2  TYR  19           1HE      TYR  19   9.766  -2.264   1.113
  125    HH   TYR  19           HH       TYR  19  10.067  -1.637  -2.124
  126    H    LYS  20           H        LYS  20   4.513  -8.441  -0.058
  127    HA   LYS  20           HA       LYS  20   3.002  -9.744   1.018
  128    HB2  LYS  20           2HB      LYS  20   5.440 -10.168   2.712
  129    HB3  LYS  20           1HB      LYS  20   4.006 -11.174   2.800
  130    HG2  LYS  20           2HG      LYS  20   5.762 -10.819   0.379
  131    HG3  LYS  20           1HG      LYS  20   5.746 -12.218   1.453
  132    HD2  LYS  20           2HD      LYS  20   3.423 -11.254  -0.220
  133    HD3  LYS  20           1HD      LYS  20   4.463 -12.625  -0.601
  134    HE2  LYS  20           2HE      LYS  20   2.707 -12.376   1.841
  135    HE3  LYS  20           1HE      LYS  20   2.332 -13.325   0.405
  136    HZ1  LYS  20           3HZ      LYS  20   4.544 -13.778   2.331
  137    HZ2  LYS  20           1HZ      LYS  20   4.405 -14.601   0.853
  138    HZ3  LYS  20           2HZ      LYS  20   3.210 -14.782   2.043
  139    H    LEU  21           H        LEU  21   1.959  -7.599   1.683
  140    HA   LEU  21           HA       LEU  21   2.137  -7.079   4.506
  141    HB2  LEU  21           2HB      LEU  21   0.296  -5.992   2.402
  142    HB3  LEU  21           1HB      LEU  21   0.191  -5.545   4.087
  143    HG   LEU  21           HG       LEU  21   2.349  -5.032   2.187
  144   HD11  LEU  21          1HD1      LEU  21   2.039  -2.691   2.809
  145   HD12  LEU  21          2HD1      LEU  21   0.717  -3.198   3.863
  146   HD13  LEU  21          3HD1      LEU  21   0.588  -3.421   2.118
  147   HD21  LEU  21          3HD2      LEU  21   3.693  -4.043   3.972
  148   HD22  LEU  21          1HD2      LEU  21   3.479  -5.785   4.147
  149   HD23  LEU  21          2HD2      LEU  21   2.524  -4.676   5.132
  150    H    ASP  22           H        ASP  22   0.792  -7.499   5.975
  151    HA   ASP  22           HA       ASP  22  -1.253  -9.521   5.522
  152    HB2  ASP  22           2HB      ASP  22  -0.518  -8.053   8.085
  153    HB3  ASP  22           1HB      ASP  22  -1.609  -9.430   7.968
  154    H    LYS  23           H        LYS  23  -2.604  -8.636   4.274
  155    HA   LYS  23           HA       LYS  23  -3.106  -5.876   4.160
  156    HB2  LYS  23           2HB      LYS  23  -3.684  -8.034   2.563
  157    HB3  LYS  23           1HB      LYS  23  -5.267  -7.395   3.012
  158    HG2  LYS  23           2HG      LYS  23  -3.140  -6.195   1.330
  159    HG3  LYS  23           1HG      LYS  23  -4.909  -5.978   1.302
  160    HD2  LYS  23           2HD      LYS  23  -4.268  -3.906   2.000
  161    HD3  LYS  23           1HD      LYS  23  -4.384  -4.698   3.573
  162    HE2  LYS  23           2HE      LYS  23  -1.782  -5.166   2.446
  163    HE3  LYS  23           1HE      LYS  23  -2.137  -3.435   2.424
  164    HZ1  LYS  23           3HZ      LYS  23  -2.673  -3.570   4.804
  165    HZ2  LYS  23           1HZ      LYS  23  -1.076  -4.031   4.487
  166    HZ3  LYS  23           2HZ      LYS  23  -2.246  -5.206   4.811
  167    H    PHE  24           H        PHE  24  -4.636  -8.384   6.021
  168    HA   PHE  24           HA       PHE  24  -6.979  -6.745   6.605
  169    HB2  PHE  24           2HB      PHE  24  -7.804  -8.817   7.731
  170    HB3  PHE  24           1HB      PHE  24  -7.436  -9.035   6.023
  171    HD1  PHE  24           1HD      PHE  24  -6.402  -9.830   9.445
  172    HD2  PHE  24           2HD      PHE  24  -5.602 -10.422   5.309
  173    HE1  PHE  24           1HE      PHE  24  -4.911 -11.703  10.005
  174    HE2  PHE  24           2HE      PHE  24  -4.110 -12.298   5.864
  175    HZ   PHE  24           HZ       PHE  24  -3.763 -12.939   8.214
  176    H    SER  25           H        SER  25  -3.938  -7.353   7.988
  177    HA   SER  25           HA       SER  25  -4.716  -7.666  10.709
  178    HB2  SER  25           2HB      SER  25  -2.536  -8.480   9.823
  179    HB3  SER  25           1HB      SER  25  -2.021  -6.815   9.613
  180    HG   SER  25           HG       SER  25  -1.584  -8.163  11.704
  181    H    THR  26           H        THR  26  -2.716  -5.042   9.413
  182    HA   THR  26           HA       THR  26  -4.412  -2.941  10.557
  183    HB   THR  26           HB       THR  26  -1.931  -2.080  11.352
  184    HG1  THR  26           1HG      THR  26  -2.098  -4.879  11.650
  185   HG21  THR  26          3HG2      THR  26  -2.760  -2.395  13.647
  186   HG22  THR  26          1HG2      THR  26  -4.008  -3.488  13.052
  187   HG23  THR  26          2HG2      THR  26  -4.027  -1.788  12.584
  188    H    TRP  27           H        TRP  27  -3.846  -0.997   9.883
  189    HA   TRP  27           HA       TRP  27  -2.874  -1.001   7.208
  190    HB2  TRP  27           2HB      TRP  27  -4.193   0.875   7.751
  191    HB3  TRP  27           1HB      TRP  27  -3.295   1.184   9.234
  192    HD1  TRP  27           HD       TRP  27  -2.021   3.429   8.852
  193    HE1  TRP  27           1HE      TRP  27  -0.718   4.576   7.080
  194    HE3  TRP  27           3HE      TRP  27  -2.662  -0.030   5.266
  195    HZ2  TRP  27           2HZ      TRP  27  -0.108   4.163   4.485
  196    HZ3  TRP  27           3HZ      TRP  27  -1.743   0.543   3.056
  197    HH2  TRP  27           HH       TRP  27  -0.631   2.679   2.821
  198    H    SER  28           H        SER  28  -1.417   0.159  10.249
  199    HA   SER  28           HA       SER  28   0.949   0.489   8.778
  200    HB2  SER  28           2HB      SER  28   1.971   1.035  10.861
  201    HB3  SER  28           1HB      SER  28   1.076   2.173   9.955
  202    HG   SER  28           HG       SER  28  -0.585   2.067  11.432
  203    H    LEU  29           H        LEU  29   0.073  -2.103  10.935
  204    HA   LEU  29           HA       LEU  29   2.681  -2.887  11.523
  205    HB2  LEU  29           2HB      LEU  29   0.369  -4.101  11.960
  206    HB3  LEU  29           1HB      LEU  29   0.744  -4.921  10.460
  207    HG   LEU  29           HG       LEU  29   2.607  -4.934  12.832
  208   HD11  LEU  29          1HD1      LEU  29   0.505  -6.960  12.080
  209   HD12  LEU  29          2HD1      LEU  29   0.482  -5.912  13.498
  210   HD13  LEU  29          3HD1      LEU  29   1.724  -7.154  13.341
  211   HD21  LEU  29          3HD2      LEU  29   3.631  -5.484  10.681
  212   HD22  LEU  29          1HD2      LEU  29   2.401  -6.717  10.407
  213   HD23  LEU  29          2HD2      LEU  29   3.551  -6.899  11.731
  214    H    GLN  30           H        GLN  30   0.841  -2.694   8.709
  215    HA   GLN  30           HA       GLN  30   2.795  -3.974   6.971
  216    HB2  GLN  30           2HB      GLN  30   0.107  -2.758   6.303
  217    HB3  GLN  30           1HB      GLN  30   1.186  -3.572   5.138
  218    HG2  GLN  30           2HG      GLN  30  -0.827  -4.866   6.166
  219    HG3  GLN  30           1HG      GLN  30   0.713  -5.655   5.961
  220   HE21  GLN  30          1HE2      GLN  30   1.789  -6.448   7.707
  221   HE22  GLN  30          2HE2      GLN  30   1.126  -6.462   9.296
  222    H    SER  31           H        SER  31   1.282  -0.762   7.339
  223    HA   SER  31           HA       SER  31   3.096   0.525   5.613
  224    HB2  SER  31           2HB      SER  31   2.127   2.671   6.438
  225    HB3  SER  31           1HB      SER  31   1.109   1.563   5.514
  226    HG   SER  31           HG       SER  31   0.182   2.452   7.481
  227    H    LYS  32           H        LYS  32   3.575  -0.104   8.950
  228    HA   LYS  32           HA       LYS  32   5.515   2.029   9.185
  229    HB2  LYS  32           2HB      LYS  32   6.176   1.051  11.289
  230    HB3  LYS  32           1HB      LYS  32   4.425   1.056  11.217
  231    HG2  LYS  32           2HG      LYS  32   4.926  -0.997  12.155
  232    HG3  LYS  32           1HG      LYS  32   4.642  -1.387  10.463
  233    HD2  LYS  32           2HD      LYS  32   6.568  -2.603  11.256
  234    HD3  LYS  32           1HD      LYS  32   7.088  -1.393  10.087
  235    HE2  LYS  32           2HE      LYS  32   7.176  -0.921  13.057
  236    HE3  LYS  32           1HE      LYS  32   8.508  -1.664  12.178
  237    HZ1  LYS  32           3HZ      LYS  32   8.409   0.403  10.720
  238    HZ2  LYS  32           1HZ      LYS  32   9.034   0.591  12.286
  239    HZ3  LYS  32           2HZ      LYS  32   7.454   1.090  11.942
  240    H    LYS  33           H        LYS  33   5.127  -0.731   7.590
  241    HA   LYS  33           HA       LYS  33   7.938  -1.601   7.525
  242    HB2  LYS  33           2HB      LYS  33   5.580  -2.567   5.901
  243    HB3  LYS  33           1HB      LYS  33   7.188  -3.268   5.859
  244    HG2  LYS  33           2HG      LYS  33   5.834  -3.083   8.485
  245    HG3  LYS  33           1HG      LYS  33   5.239  -4.271   7.325
  246    HD2  LYS  33           2HD      LYS  33   7.594  -5.101   7.110
  247    HD3  LYS  33           1HD      LYS  33   8.019  -4.040   8.458
  248    HE2  LYS  33           2HE      LYS  33   6.479  -5.187   9.910
  249    HE3  LYS  33           1HE      LYS  33   5.878  -6.159   8.568
  250    HZ1  LYS  33           3HZ      LYS  33   8.041  -7.205   8.386
  251    HZ2  LYS  33           1HZ      LYS  33   7.426  -7.385   9.956
  252    HZ3  LYS  33           2HZ      LYS  33   8.644  -6.246   9.651
  253    H    ILE  34           H        ILE  34   5.647  -0.775   4.920
  254    HA   ILE  34           HA       ILE  34   7.579  -0.430   2.944
  255    HB   ILE  34           HB       ILE  34   5.751   1.005   1.788
  256   HG12  ILE  34          2HG1      ILE  34   3.554   0.960   2.614
  257   HG13  ILE  34          1HG1      ILE  34   3.883  -0.349   3.741
  258   HG21  ILE  34          1HG2      ILE  34   4.562  -1.037   1.141
  259   HG22  ILE  34          2HG2      ILE  34   5.319  -1.888   2.489
  260   HG23  ILE  34          3HG2      ILE  34   6.312  -1.255   1.176
  261   HD11  ILE  34          3HD1      ILE  34   4.724   2.513   3.925
  262   HD12  ILE  34          1HD1      ILE  34   5.089   1.255   5.107
  263   HD13  ILE  34          2HD1      ILE  34   3.415   1.734   4.815
  264    H    GLU  35           H        GLU  35   6.232   1.923   5.124
  265    HA   GLU  35           HA       GLU  35   7.068   4.295   4.433
  266    HB2  GLU  35           2HB      GLU  35   6.637   3.032   6.919
  267    HB3  GLU  35           1HB      GLU  35   8.112   3.983   7.066
  268    HG2  GLU  35           2HG      GLU  35   6.907   5.938   6.192
  269    HG3  GLU  35           1HG      GLU  35   5.437   4.980   6.131
  270    H    ASN  36           H        ASN  36   8.592   5.042   3.550
  271    HA   ASN  36           HA       ASN  36  10.671   5.970   3.227
  272    HB2  ASN  36           2HB      ASN  36  11.195   5.429   5.636
  273    HB3  ASN  36           1HB      ASN  36  11.868   3.902   5.077
  274   HD21  ASN  36          1HD2      ASN  36  12.224   7.375   5.043
  275   HD22  ASN  36          2HD2      ASN  36  13.888   7.400   4.575
  276    H    ASP  37           H        ASP  37   9.578   2.966   2.479
  277    HA   ASP  37           HA       ASP  37  11.784   2.342   0.675
  278    HB2  ASP  37           2HB      ASP  37   9.080   1.030   1.064
  279    HB3  ASP  37           1HB      ASP  37  10.272   0.483  -0.105
  280    HA   PRO  38           HA       PRO  38  10.446   4.894  -2.637
  281    HB2  PRO  38           2HB      PRO  38  11.038   2.585  -4.416
  282    HB3  PRO  38           1HB      PRO  38  11.655   4.240  -4.474
  283    HG2  PRO  38           2HG      PRO  38  13.191   2.249  -3.604
  284    HG3  PRO  38           1HG      PRO  38  13.243   3.844  -2.830
  285    HD2  PRO  38           2HD      PRO  38  11.925   1.327  -1.902
  286    HD3  PRO  38           1HD      PRO  38  12.782   2.564  -0.962
  287    H    ASP  39           H        ASP  39   9.201   1.634  -2.410
  288    HA   ASP  39           HA       ASP  39   7.200   1.761  -4.373
  289    HB2  ASP  39           2HB      ASP  39   7.257   0.166  -1.799
  290    HB3  ASP  39           1HB      ASP  39   6.185  -0.137  -3.162
  291    H    PHE  40           H        PHE  40   7.073   2.447  -0.899
  292    HA   PHE  40           HA       PHE  40   4.275   2.971  -0.845
  293    HB2  PHE  40           2HB      PHE  40   5.638   2.203   1.078
  294    HB3  PHE  40           1HB      PHE  40   6.437   3.759   1.112
  295    HD1  PHE  40           1HD      PHE  40   2.871   2.428   1.288
  296    HD2  PHE  40           2HD      PHE  40   5.790   5.194   2.712
  297    HE1  PHE  40           1HE      PHE  40   1.317   3.188   2.970
  298    HE2  PHE  40           2HE      PHE  40   4.201   5.949   4.419
  299    HZ   PHE  40           HZ       PHE  40   1.981   4.906   4.547
  300    H    TYR  41           H        TYR  41   6.894   4.779  -1.981
  301    HA   TYR  41           HA       TYR  41   5.612   7.356  -1.483
  302    HB2  TYR  41           2HB      TYR  41   8.275   6.631  -2.708
  303    HB3  TYR  41           1HB      TYR  41   7.655   8.276  -2.655
  304    HD1  TYR  41           1HD      TYR  41   6.688   8.809  -0.113
  305    HD2  TYR  41           2HD      TYR  41   9.894   6.207  -1.141
  306    HE1  TYR  41           1HE      TYR  41   7.643   9.107   2.131
  307    HE2  TYR  41           2HE      TYR  41  10.854   6.497   1.102
  308    HH   TYR  41           HH       TYR  41   9.130   7.952   3.666
  309    H    LYS  42           H        LYS  42   5.096   4.998  -3.636
  310    HA   LYS  42           HA       LYS  42   5.240   6.283  -6.138
  311    HB2  LYS  42           2HB      LYS  42   3.671   3.948  -5.106
  312    HB3  LYS  42           1HB      LYS  42   3.366   4.567  -6.723
  313    HG2  LYS  42           2HG      LYS  42   6.030   3.606  -5.693
  314    HG3  LYS  42           1HG      LYS  42   4.933   2.687  -6.728
  315    HD2  LYS  42           2HD      LYS  42   5.138   4.412  -8.461
  316    HD3  LYS  42           1HD      LYS  42   6.248   5.313  -7.427
  317    HE2  LYS  42           2HE      LYS  42   7.817   3.447  -7.472
  318    HE3  LYS  42           1HE      LYS  42   6.701   2.523  -8.478
  319    HZ1  LYS  42           3HZ      LYS  42   8.419   3.525  -9.816
  320    HZ2  LYS  42           1HZ      LYS  42   8.028   5.070  -9.234
  321    HZ3  LYS  42           2HZ      LYS  42   6.919   4.224 -10.197
  322    H    ILE  43           H        ILE  43   2.575   6.054  -3.798
  323    HA   ILE  43           HA       ILE  43   0.970   7.831  -5.449
  324    HB   ILE  43           HB       ILE  43   0.334   6.533  -2.792
  325   HG12  ILE  43          2HG1      ILE  43   0.409   4.908  -4.568
  326   HG13  ILE  43          1HG1      ILE  43  -1.277   5.220  -4.178
  327   HG21  ILE  43          1HG2      ILE  43  -0.852   8.650  -3.001
  328   HG22  ILE  43          2HG2      ILE  43  -1.968   7.294  -3.155
  329   HG23  ILE  43          3HG2      ILE  43  -1.447   8.175  -4.592
  330   HD11  ILE  43          3HD1      ILE  43  -0.946   5.058  -6.573
  331   HD12  ILE  43          1HD1      ILE  43   0.239   6.363  -6.511
  332   HD13  ILE  43          2HD1      ILE  43  -1.450   6.687  -6.121
  333    H    ARG  44           H        ARG  44   0.730   9.920  -5.129
  334    HA   ARG  44           HA       ARG  44   2.540  11.412  -3.626
  335    HB2  ARG  44           2HB      ARG  44  -0.171  12.254  -4.667
  336    HB3  ARG  44           1HB      ARG  44   1.127  13.337  -4.197
  337    HG2  ARG  44           2HG      ARG  44   1.341  11.333  -6.430
  338    HG3  ARG  44           1HG      ARG  44   0.870  13.018  -6.650
  339    HD2  ARG  44           2HD      ARG  44   3.470  12.090  -5.440
  340    HD3  ARG  44           1HD      ARG  44   3.261  12.614  -7.112
  341    HE   ARG  44           HE       ARG  44   2.678  14.415  -4.846
  342   HH11  ARG  44          1HH1      ARG  44   4.230  13.747  -7.917
  343   HH12  ARG  44          2HH1      ARG  44   4.938  15.335  -8.047
  344   HH21  ARG  44          1HH2      ARG  44   3.581  16.510  -5.032
  345   HH22  ARG  44          2HH2      ARG  44   4.565  16.896  -6.412
  346    H    ASP  45           H        ASP  45  -0.809  10.521  -2.961
  347    HA   ASP  45           HA       ASP  45  -0.747  11.937  -0.420
  348    HB2  ASP  45           2HB      ASP  45  -2.984  10.525  -1.878
  349    HB3  ASP  45           1HB      ASP  45  -3.168  11.310  -0.314
  350    H    ASP  46           H        ASP  46  -0.258  10.981   1.391
  351    HA   ASP  46           HA       ASP  46  -0.034   8.101   1.654
  352    HB2  ASP  46           2HB      ASP  46   1.505   9.710   2.805
  353    HB3  ASP  46           1HB      ASP  46   0.149  10.289   3.763
  354    H    THR  47           H        THR  47  -2.378  10.554   2.210
  355    HA   THR  47           HA       THR  47  -4.057   9.096   3.995
  356    HB   THR  47           HB       THR  47  -5.787  10.818   3.016
  357    HG1  THR  47           1HG      THR  47  -4.877  11.840   1.368
  358   HG21  THR  47          3HG2      THR  47  -4.925  12.536   4.545
  359   HG22  THR  47          1HG2      THR  47  -3.384  11.684   4.629
  360   HG23  THR  47          2HG2      THR  47  -4.843  10.930   5.270
  361    H    VAL  48           H        VAL  48  -3.275   8.558   0.832
  362    HA   VAL  48           HA       VAL  48  -5.843   7.237   0.278
  363    HB   VAL  48           HB       VAL  48  -3.644   7.999  -1.663
  364   HG11  VAL  48          1HG1      VAL  48  -6.343   6.754  -2.184
  365   HG12  VAL  48          2HG1      VAL  48  -4.780   5.959  -2.366
  366   HG13  VAL  48          3HG1      VAL  48  -5.210   7.308  -3.418
  367   HG21  VAL  48          3HG2      VAL  48  -5.283   9.595  -2.547
  368   HG22  VAL  48          1HG2      VAL  48  -4.886   9.933  -0.863
  369   HG23  VAL  48          2HG2      VAL  48  -6.409   9.140  -1.268
  370    H    ARG  49           H        ARG  49  -2.495   6.778   0.915
  371    HA   ARG  49           HA       ARG  49  -1.936   4.328  -0.308
  372    HB2  ARG  49           2HB      ARG  49  -0.910   5.551   2.253
  373    HB3  ARG  49           1HB      ARG  49  -0.213   4.120   1.559
  374    HG2  ARG  49           2HG      ARG  49   0.335   5.338  -0.458
  375    HG3  ARG  49           1HG      ARG  49  -0.451   6.741   0.224
  376    HD2  ARG  49           2HD      ARG  49   1.218   6.714   2.073
  377    HD3  ARG  49           1HD      ARG  49   2.056   5.432   1.200
  378    HE   ARG  49           HE       ARG  49   1.879   7.347  -0.669
  379   HH11  ARG  49          1HH1      ARG  49   2.901   7.532   2.677
  380   HH12  ARG  49          2HH1      ARG  49   4.098   8.753   2.361
  381   HH21  ARG  49          1HH2      ARG  49   3.432   8.977  -1.067
  382   HH22  ARG  49          2HH2      ARG  49   4.398   9.577   0.254
  383    H    GLU  50           H        GLU  50  -3.141   4.959   2.964
  384    HA   GLU  50           HA       GLU  50  -3.548   2.145   3.334
  385    HB2  GLU  50           2HB      GLU  50  -4.798   3.219   5.345
  386    HB3  GLU  50           1HB      GLU  50  -3.186   2.758   5.386
  387    HG2  GLU  50           2HG      GLU  50  -3.616   4.765   6.352
  388    HG3  GLU  50           1HG      GLU  50  -2.445   4.926   5.193
  389    H    SER  51           H        SER  51  -5.446   4.662   2.111
  390    HA   SER  51           HA       SER  51  -7.851   3.076   2.282
  391    HB2  SER  51           2HB      SER  51  -7.150   5.167   0.193
  392    HB3  SER  51           1HB      SER  51  -8.764   4.565   0.573
  393    HG   SER  51           HG       SER  51  -7.529   5.475   2.800
  394    H    LEU  52           H        LEU  52  -4.982   2.579   0.726
  395    HA   LEU  52           HA       LEU  52  -5.912   1.512  -1.650
  396    HB2  LEU  52           2HB      LEU  52  -3.269   1.408  -0.416
  397    HB3  LEU  52           1HB      LEU  52  -3.597   0.756  -1.971
  398    HG   LEU  52           HG       LEU  52  -3.802   3.649  -1.175
  399   HD11  LEU  52          1HD1      LEU  52  -2.145   2.319  -3.288
  400   HD12  LEU  52          2HD1      LEU  52  -1.567   2.937  -1.740
  401   HD13  LEU  52          3HD1      LEU  52  -2.210   4.048  -2.951
  402   HD21  LEU  52          3HD2      LEU  52  -4.668   2.405  -3.772
  403   HD22  LEU  52          1HD2      LEU  52  -4.567   4.134  -3.443
  404   HD23  LEU  52          2HD2      LEU  52  -5.716   3.132  -2.554
  405    H    PHE  53           H        PHE  53  -5.049   0.381   1.082
  406    HA   PHE  53           HA       PHE  53  -4.279  -2.190   0.274
  407    HB2  PHE  53           2HB      PHE  53  -3.102  -1.448   1.980
  408    HB3  PHE  53           1HB      PHE  53  -4.066   0.043   1.701
  409    HD1  PHE  53           2HD      PHE  53  -6.035   0.328   3.080
  410    HD2  PHE  53           1HD      PHE  53  -3.180  -2.615   4.039
  411    HE1  PHE  53           2HE      PHE  53  -6.930   0.230   5.397
  412    HE2  PHE  53           1HE      PHE  53  -4.031  -2.743   6.350
  413    HZ   PHE  53           HZ       PHE  53  -5.920  -1.312   7.035
  414    H    GLU  54           H        GLU  54  -6.849  -0.572   1.894
  415    HA   GLU  54           HA       GLU  54  -8.443  -2.663   2.831
  416    HB2  GLU  54           2HB      GLU  54  -9.972  -0.545   1.476
  417    HB3  GLU  54           1HB      GLU  54 -10.042  -1.086   3.142
  418    HG2  GLU  54           2HG      GLU  54  -7.876   0.174   3.486
  419    HG3  GLU  54           1HG      GLU  54  -8.193   0.902   1.909
  420    H    GLU  55           H        GLU  55  -8.071  -1.384  -0.429
  421    HA   GLU  55           HA       GLU  55 -10.229  -2.899  -1.536
  422    HB2  GLU  55           2HB      GLU  55  -7.873  -1.601  -2.920
  423    HB3  GLU  55           1HB      GLU  55  -9.333  -2.178  -3.710
  424    HG2  GLU  55           2HG      GLU  55  -9.310  -0.013  -1.625
  425    HG3  GLU  55           1HG      GLU  55  -9.200   0.289  -3.359
  426    H    TRP  56           H        TRP  56  -6.677  -3.271  -1.678
  427    HA   TRP  56           HA       TRP  56  -6.711  -5.575  -3.302
  428    HB2  TRP  56           2HB      TRP  56  -4.815  -4.315  -3.381
  429    HB3  TRP  56           1HB      TRP  56  -4.684  -4.263  -1.648
  430    HD1  TRP  56           HD       TRP  56  -3.901  -6.839  -4.289
  431    HE1  TRP  56           1HE      TRP  56  -2.129  -8.455  -3.358
  432    HE3  TRP  56           3HE      TRP  56  -3.517  -4.424  -0.666
  433    HZ2  TRP  56           2HZ      TRP  56  -0.500  -8.268  -0.984
  434    HZ3  TRP  56           3HZ      TRP  56  -1.829  -4.698   0.486
  435    HH2  TRP  56           HH       TRP  56  -0.304  -6.592   0.765
  436    H    CYS  57           H        CYS  57  -7.215  -5.052  -0.101
  437    HA   CYS  57           HA       CYS  57  -6.386  -7.465   1.098
  438    HB2  CYS  57           2HB      CYS  57  -6.870  -5.427   2.406
  439    HB3  CYS  57           1HB      CYS  57  -8.571  -5.550   1.971
  440    HG   CYS  57           HG       CYS  57  -8.835  -6.503   4.404
  441    H    GLY  58           H        GLY  58  -9.515  -6.277  -0.087
  442    HA2  GLY  58           2HA      GLY  58 -10.446  -9.081  -0.274
  443    HA3  GLY  58           1HA      GLY  58 -11.518  -7.707  -0.008
  444    H    GLU  59           H        GLU  59  -8.789  -8.016  -2.179
  445    HA   GLU  59           HA       GLU  59 -10.457  -6.993  -4.345
  446    HB2  GLU  59           2HB      GLU  59  -7.900  -6.359  -3.389
  447    HB3  GLU  59           1HB      GLU  59  -7.606  -7.255  -4.901
  448    HG2  GLU  59           2HG      GLU  59  -9.076  -4.675  -4.493
  449    HG3  GLU  59           1HG      GLU  59  -7.696  -5.007  -5.532
  Start of MODEL   13
    1    H1   ASP   5           H        ASP   5  -5.524   8.109  -9.727
    2    HA   ASP   5           HA       ASP   5  -7.829   8.726  -8.219
    3    HB2  ASP   5           2HB      ASP   5  -7.701  10.624 -10.014
    4    HB3  ASP   5           1HB      ASP   5  -8.233   9.371 -11.129
    5    H    ILE   6           H        ILE   6  -7.743   6.579  -7.879
    6    HA   ILE   6           HA       ILE   6  -7.736   4.360  -8.184
    7    HB   ILE   6           HB       ILE   6  -9.681   3.438  -9.377
    8   HG12  ILE   6          2HG1      ILE   6 -10.401   6.340  -9.856
    9   HG13  ILE   6          1HG1      ILE   6  -9.942   5.190 -11.106
   10   HG21  ILE   6          1HG2      ILE   6 -10.187   5.650  -7.397
   11   HG22  ILE   6          2HG2      ILE   6  -9.760   3.981  -7.029
   12   HG23  ILE   6          3HG2      ILE   6 -11.315   4.350  -7.777
   13   HD11  ILE   6          3HD1      ILE   6 -11.916   3.850 -10.606
   14   HD12  ILE   6          1HD1      ILE   6 -12.348   5.504 -11.035
   15   HD13  ILE   6          2HD1      ILE   6 -12.375   4.996  -9.347
   16    H    ASP   7           H        ASP   7  -5.952   3.775  -9.042
   17    HA   ASP   7           HA       ASP   7  -5.820   2.387 -11.302
   18    HB2  ASP   7           2HB      ASP   7  -5.992   4.340 -12.676
   19    HB3  ASP   7           1HB      ASP   7  -4.647   5.033 -11.777
   20    H    GLU   8           H        GLU   8  -4.368   4.276  -9.719
   21    HA   GLU   8           HA       GLU   8  -1.755   3.055  -9.433
   22    HB2  GLU   8           2HB      GLU   8  -1.123   4.924  -8.042
   23    HB3  GLU   8           1HB      GLU   8  -1.974   5.522  -9.456
   24    HG2  GLU   8           2HG      GLU   8  -3.086   5.245  -6.672
   25    HG3  GLU   8           1HG      GLU   8  -2.652   6.744  -7.494
   26    H    ARG   9           H        ARG   9  -4.744   2.955  -7.772
   27    HA   ARG   9           HA       ARG   9  -3.965   2.245  -5.203
   28    HB2  ARG   9           2HB      ARG   9  -6.161   1.255  -4.966
   29    HB3  ARG   9           1HB      ARG   9  -6.295   2.710  -5.933
   30    HG2  ARG   9           2HG      ARG   9  -6.286   1.238  -7.969
   31    HG3  ARG   9           1HG      ARG   9  -6.424  -0.133  -6.878
   32    HD2  ARG   9           2HD      ARG   9  -8.533   0.634  -6.057
   33    HD3  ARG   9           1HD      ARG   9  -8.366   2.163  -6.915
   34    HE   ARG   9           HE       ARG   9  -8.396   0.670  -8.999
   35   HH11  ARG   9          1HH1      ARG   9 -10.210   0.019  -6.057
   36   HH12  ARG   9          2HH1      ARG   9 -11.459  -0.863  -6.889
   37   HH21  ARG   9          1HH2      ARG   9 -10.080  -0.452 -10.081
   38   HH22  ARG   9          2HH2      ARG   9 -11.419  -1.083  -9.165
   39    H    ASN  10           H        ASN  10  -4.545   0.170  -8.002
   40    HA   ASN  10           HA       ASN  10  -3.979  -2.318  -6.729
   41    HB2  ASN  10           2HB      ASN  10  -3.911  -1.466  -9.658
   42    HB3  ASN  10           1HB      ASN  10  -3.694  -3.131  -9.121
   43   HD21  ASN  10          1HD2      ASN  10  -5.945  -0.491  -9.478
   44   HD22  ASN  10          2HD2      ASN  10  -7.381  -1.411  -9.196
   45    H    ILE  11           H        ILE  11  -1.974   0.184  -8.015
   46    HA   ILE  11           HA       ILE  11   0.380  -1.286  -8.345
   47    HB   ILE  11           HB       ILE  11   0.059   1.587  -7.455
   48   HG12  ILE  11          2HG1      ILE  11   0.588   0.366 -10.176
   49   HG13  ILE  11          1HG1      ILE  11  -0.918   1.114  -9.657
   50   HG21  ILE  11          1HG2      ILE  11   2.255   0.722  -6.842
   51   HG22  ILE  11          2HG2      ILE  11   2.385   1.881  -8.165
   52   HG23  ILE  11          3HG2      ILE  11   2.502   0.152  -8.493
   53   HD11  ILE  11          3HD1      ILE  11   1.728   2.514  -9.957
   54   HD12  ILE  11          1HD1      ILE  11   0.211   3.263  -9.459
   55   HD13  ILE  11          2HD1      ILE  11   0.375   2.596 -11.083
   56    H    PHE  12           H        PHE  12  -1.044   0.254  -5.424
   57    HA   PHE  12           HA       PHE  12   1.282  -0.334  -3.878
   58    HB2  PHE  12           2HB      PHE  12  -1.353   0.867  -3.328
   59    HB3  PHE  12           1HB      PHE  12  -0.555   0.099  -1.957
   60    HD1  PHE  12           1HD      PHE  12   0.910   1.966  -4.831
   61    HD2  PHE  12           2HD      PHE  12   0.203   1.897  -0.618
   62    HE1  PHE  12           1HE      PHE  12   2.289   3.975  -4.554
   63    HE2  PHE  12           2HE      PHE  12   1.599   3.897  -0.357
   64    HZ   PHE  12           HZ       PHE  12   2.637   4.944  -2.323
   65    H    PHE  13           H        PHE  13  -2.001  -1.865  -3.717
   66    HA   PHE  13           HA       PHE  13  -1.866  -4.407  -2.340
   67    HB2  PHE  13           2HB      PHE  13  -2.179  -4.263  -5.028
   68    HB3  PHE  13           1HB      PHE  13  -3.085  -5.081  -4.018
   69    HD1  PHE  13           2HD      PHE  13  -3.276  -1.864  -2.820
   70    HD2  PHE  13           1HD      PHE  13  -4.605  -4.319  -6.028
   71    HE1  PHE  13           2HE      PHE  13  -5.304  -0.490  -3.058
   72    HE2  PHE  13           1HE      PHE  13  -6.637  -2.979  -6.231
   73    HZ   PHE  13           HZ       PHE  13  -6.992  -1.084  -4.742
   74    H    GLU  14           H        GLU  14  -0.488  -3.596  -5.629
   75    HA   GLU  14           HA       GLU  14   0.686  -6.174  -5.922
   76    HB2  GLU  14           2HB      GLU  14   0.983  -3.595  -7.432
   77    HB3  GLU  14           1HB      GLU  14   2.011  -4.972  -7.800
   78    HG2  GLU  14           2HG      GLU  14  -0.994  -5.086  -7.809
   79    HG3  GLU  14           1HG      GLU  14  -0.021  -4.733  -9.236
   80    H    LEU  15           H        LEU  15   1.973  -3.026  -4.982
   81    HA   LEU  15           HA       LEU  15   4.599  -3.964  -4.376
   82    HB2  LEU  15           2HB      LEU  15   3.262  -1.734  -2.881
   83    HB3  LEU  15           1HB      LEU  15   4.943  -1.902  -3.318
   84    HG   LEU  15           HG       LEU  15   2.680  -1.244  -5.157
   85   HD11  LEU  15          1HD1      LEU  15   3.803   0.917  -5.381
   86   HD12  LEU  15          2HD1      LEU  15   4.974   0.418  -4.158
   87   HD13  LEU  15          3HD1      LEU  15   3.272   0.598  -3.729
   88   HD21  LEU  15          3HD2      LEU  15   5.630  -1.514  -5.751
   89   HD22  LEU  15          1HD2      LEU  15   4.411  -0.909  -6.876
   90   HD23  LEU  15          2HD2      LEU  15   4.348  -2.583  -6.324
   91    H    PHE  16           H        PHE  16   1.446  -4.083  -2.860
   92    HA   PHE  16           HA       PHE  16   2.447  -4.300  -0.199
   93    HB2  PHE  16           2HB      PHE  16  -0.044  -4.313  -1.769
   94    HB3  PHE  16           1HB      PHE  16  -0.126  -4.844  -0.140
   95    HD1  PHE  16           1HD      PHE  16   2.098  -2.204   0.021
   96    HD2  PHE  16           2HD      PHE  16  -2.093  -2.968  -0.741
   97    HE1  PHE  16           1HE      PHE  16   1.504   0.088   0.733
   98    HE2  PHE  16           2HE      PHE  16  -2.608  -0.711  -0.028
   99    HZ   PHE  16           HZ       PHE  16  -0.866   0.816   0.686
  100    H    ASP  17           H        ASP  17   1.529  -6.251  -2.879
  101    HA   ASP  17           HA       ASP  17   1.629  -8.777  -1.527
  102    HB2  ASP  17           2HB      ASP  17   0.309  -8.382  -3.602
  103    HB3  ASP  17           1HB      ASP  17   1.806  -8.140  -4.476
  104    H    ARG  18           H        ARG  18   3.658  -6.964  -3.716
  105    HA   ARG  18           HA       ARG  18   5.823  -8.715  -3.852
  106    HB2  ARG  18           2HB      ARG  18   5.461  -6.705  -5.299
  107    HB3  ARG  18           1HB      ARG  18   5.979  -5.697  -3.955
  108    HG2  ARG  18           2HG      ARG  18   8.173  -6.619  -4.011
  109    HG3  ARG  18           1HG      ARG  18   7.683  -7.854  -5.172
  110    HD2  ARG  18           2HD      ARG  18   8.861  -6.189  -6.389
  111    HD3  ARG  18           1HD      ARG  18   7.154  -6.001  -6.775
  112    HE   ARG  18           HE       ARG  18   7.484  -4.240  -4.766
  113   HH11  ARG  18          1HH1      ARG  18   9.238  -4.779  -7.762
  114   HH12  ARG  18          2HH1      ARG  18   9.780  -3.129  -7.877
  115   HH21  ARG  18          1HH2      ARG  18   8.180  -2.079  -4.934
  116   HH22  ARG  18          2HH2      ARG  18   9.203  -1.606  -6.266
  117    H    TYR  19           H        TYR  19   4.843  -6.571  -1.267
  118    HA   TYR  19           HA       TYR  19   7.399  -7.142   0.085
  119    HB2  TYR  19           2HB      TYR  19   5.334  -4.993   0.485
  120    HB3  TYR  19           1HB      TYR  19   6.471  -5.397   1.766
  121    HD1  TYR  19           2HD      TYR  19   7.430  -5.547  -1.781
  122    HD2  TYR  19           1HD      TYR  19   7.495  -3.197   1.767
  123    HE1  TYR  19           2HE      TYR  19   9.108  -4.069  -2.797
  124    HE2  TYR  19           1HE      TYR  19   9.173  -1.718   0.761
  125    HH   TYR  19           HH       TYR  19   9.795  -1.556  -2.445
  126    H    LYS  20           H        LYS  20   4.420  -8.365  -0.256
  127    HA   LYS  20           HA       LYS  20   3.059  -9.783   0.896
  128    HB2  LYS  20           2HB      LYS  20   5.479 -10.299   2.613
  129    HB3  LYS  20           1HB      LYS  20   4.122 -11.379   2.341
  130    HG2  LYS  20           2HG      LYS  20   4.822 -11.920   0.192
  131    HG3  LYS  20           1HG      LYS  20   5.871 -10.506   0.078
  132    HD2  LYS  20           2HD      LYS  20   6.363 -12.689   2.087
  133    HD3  LYS  20           1HD      LYS  20   6.986 -12.783   0.440
  134    HE2  LYS  20           2HE      LYS  20   8.697 -11.892   1.891
  135    HE3  LYS  20           1HE      LYS  20   8.152 -10.635   0.786
  136    HZ1  LYS  20           3HZ      LYS  20   6.761  -9.751   2.591
  137    HZ2  LYS  20           1HZ      LYS  20   8.406  -9.741   2.990
  138    HZ3  LYS  20           2HZ      LYS  20   7.382 -10.922   3.644
  139    H    LEU  21           H        LEU  21   1.980  -7.727   1.715
  140    HA   LEU  21           HA       LEU  21   2.689  -6.968   4.417
  141    HB2  LEU  21           2HB      LEU  21   0.469  -6.206   2.546
  142    HB3  LEU  21           1HB      LEU  21   0.593  -5.587   4.175
  143    HG   LEU  21           HG       LEU  21   1.376  -4.187   2.218
  144   HD11  LEU  21          1HD1      LEU  21   1.721  -3.533   4.505
  145   HD12  LEU  21          2HD1      LEU  21   3.149  -3.142   3.546
  146   HD13  LEU  21          3HD1      LEU  21   3.151  -4.555   4.599
  147   HD21  LEU  21          3HD2      LEU  21   3.763  -4.346   1.676
  148   HD22  LEU  21          1HD2      LEU  21   2.853  -5.744   1.109
  149   HD23  LEU  21          2HD2      LEU  21   3.838  -5.866   2.567
  150    H    ASP  22           H        ASP  22   1.131  -6.930   6.086
  151    HA   ASP  22           HA       ASP  22  -0.824  -9.110   5.961
  152    HB2  ASP  22           2HB      ASP  22   0.217  -7.426   8.235
  153    HB3  ASP  22           1HB      ASP  22  -1.185  -8.477   8.423
  154    H    LYS  23           H        LYS  23  -2.155  -8.338   4.620
  155    HA   LYS  23           HA       LYS  23  -2.852  -5.607   4.349
  156    HB2  LYS  23           2HB      LYS  23  -3.181  -7.826   2.811
  157    HB3  LYS  23           1HB      LYS  23  -4.835  -7.436   3.281
  158    HG2  LYS  23           2HG      LYS  23  -3.062  -6.059   1.428
  159    HG3  LYS  23           1HG      LYS  23  -4.823  -5.887   1.681
  160    HD2  LYS  23           2HD      LYS  23  -4.140  -3.793   2.288
  161    HD3  LYS  23           1HD      LYS  23  -3.957  -4.593   3.852
  162    HE2  LYS  23           2HE      LYS  23  -1.552  -5.138   2.693
  163    HE3  LYS  23           1HE      LYS  23  -1.920  -3.562   1.995
  164    HZ1  LYS  23           3HZ      LYS  23  -2.287  -2.741   4.286
  165    HZ2  LYS  23           1HZ      LYS  23  -0.697  -3.223   3.979
  166    HZ3  LYS  23           2HZ      LYS  23  -1.729  -4.222   4.878
  167    H    PHE  24           H        PHE  24  -4.211  -8.222   6.228
  168    HA   PHE  24           HA       PHE  24  -6.629  -6.686   6.836
  169    HB2  PHE  24           2HB      PHE  24  -7.426  -8.863   7.821
  170    HB3  PHE  24           1HB      PHE  24  -7.109  -8.899   6.090
  171    HD1  PHE  24           2HD      PHE  24  -5.926 -10.009   9.388
  172    HD2  PHE  24           1HD      PHE  24  -5.345 -10.245   5.176
  173    HE1  PHE  24           2HE      PHE  24  -4.430 -11.936   9.704
  174    HE2  PHE  24           1HE      PHE  24  -3.849 -12.170   5.488
  175    HZ   PHE  24           HZ       PHE  24  -3.388 -13.019   7.752
  176    H    SER  25           H        SER  25  -3.631  -7.012   8.169
  177    HA   SER  25           HA       SER  25  -4.435  -7.445  10.906
  178    HB2  SER  25           2HB      SER  25  -2.262  -8.276  10.182
  179    HB3  SER  25           1HB      SER  25  -1.762  -6.651   9.726
  180    HG   SER  25           HG       SER  25  -1.668  -7.854  12.138
  181    H    THR  26           H        THR  26  -2.399  -4.822   9.685
  182    HA   THR  26           HA       THR  26  -4.203  -2.780  10.759
  183    HB   THR  26           HB       THR  26  -1.925  -1.697  11.651
  184    HG1  THR  26           1HG      THR  26  -1.621  -4.512  12.124
  185   HG21  THR  26          3HG2      THR  26  -3.978  -1.966  12.977
  186   HG22  THR  26          1HG2      THR  26  -2.560  -2.411  13.925
  187   HG23  THR  26          2HG2      THR  26  -3.599  -3.668  13.251
  188    H    TRP  27           H        TRP  27  -3.837  -0.847  10.022
  189    HA   TRP  27           HA       TRP  27  -2.855  -0.798   7.354
  190    HB2  TRP  27           2HB      TRP  27  -4.457   0.876   7.788
  191    HB3  TRP  27           1HB      TRP  27  -3.657   1.377   9.278
  192    HD1  TRP  27           HD       TRP  27  -2.630   3.742   8.828
  193    HE1  TRP  27           1HE      TRP  27  -1.383   4.940   7.050
  194    HE3  TRP  27           3HE      TRP  27  -2.886   0.136   5.361
  195    HZ2  TRP  27           2HZ      TRP  27  -0.670   4.491   4.480
  196    HZ3  TRP  27           3HZ      TRP  27  -1.965   0.707   3.153
  197    HH2  TRP  27           HH       TRP  27  -1.033   2.908   2.857
  198    H    SER  28           H        SER  28  -1.632   0.549  10.414
  199    HA   SER  28           HA       SER  28   0.602   1.432   8.957
  200    HB2  SER  28           2HB      SER  28   1.508   1.941  11.118
  201    HB3  SER  28           1HB      SER  28   0.401   2.982  10.333
  202    HG   SER  28           HG       SER  28  -1.161   2.469  11.772
  203    H    LEU  29           H        LEU  29   0.166  -1.402  10.982
  204    HA   LEU  29           HA       LEU  29   2.887  -1.852  11.469
  205    HB2  LEU  29           2HB      LEU  29   0.875  -3.363  12.080
  206    HB3  LEU  29           1HB      LEU  29   1.031  -4.021  10.466
  207    HG   LEU  29           HG       LEU  29   3.346  -4.066  12.385
  208   HD11  LEU  29          1HD1      LEU  29   1.463  -5.115  13.525
  209   HD12  LEU  29          2HD1      LEU  29   2.657  -6.319  13.038
  210   HD13  LEU  29          3HD1      LEU  29   1.166  -6.133  12.115
  211   HD21  LEU  29          3HD2      LEU  29   2.581  -5.813  10.046
  212   HD22  LEU  29          1HD2      LEU  29   4.035  -5.973  11.030
  213   HD23  LEU  29          2HD2      LEU  29   3.804  -4.541  10.026
  214    H    GLN  30           H        GLN  30   0.963  -1.741   8.703
  215    HA   GLN  30           HA       GLN  30   3.028  -2.693   6.886
  216    HB2  GLN  30           2HB      GLN  30   0.361  -1.464   6.176
  217    HB3  GLN  30           1HB      GLN  30   1.453  -2.314   5.089
  218    HG2  GLN  30           2HG      GLN  30  -0.475  -3.378   7.017
  219    HG3  GLN  30           1HG      GLN  30   0.015  -4.008   5.495
  220   HE21  GLN  30          1HE2      GLN  30  -0.302  -5.176   8.232
  221   HE22  GLN  30          2HE2      GLN  30   1.181  -6.023   8.517
  222    H    SER  31           H        SER  31   1.293   0.293   7.577
  223    HA   SER  31           HA       SER  31   2.919   1.811   5.902
  224    HB2  SER  31           2HB      SER  31   1.730   3.817   6.608
  225    HB3  SER  31           1HB      SER  31   0.773   2.543   5.865
  226    HG   SER  31           HG       SER  31  -0.293   3.246   7.685
  227    H    LYS  32           H        LYS  32   3.225   1.449   9.362
  228    HA   LYS  32           HA       LYS  32   5.291   3.478   9.379
  229    HB2  LYS  32           2HB      LYS  32   5.847   2.724  11.614
  230    HB3  LYS  32           1HB      LYS  32   4.107   2.898  11.486
  231    HG2  LYS  32           2HG      LYS  32   3.775   0.563  11.459
  232    HG3  LYS  32           1HG      LYS  32   5.488   0.237  11.195
  233    HD2  LYS  32           2HD      LYS  32   4.274   1.479  13.663
  234    HD3  LYS  32           1HD      LYS  32   4.847  -0.184  13.516
  235    HE2  LYS  32           2HE      LYS  32   6.648   2.156  12.981
  236    HE3  LYS  32           1HE      LYS  32   6.398   1.544  14.615
  237    HZ1  LYS  32           3HZ      LYS  32   8.375   0.648  13.355
  238    HZ2  LYS  32           1HZ      LYS  32   7.275  -0.211  12.388
  239    HZ3  LYS  32           2HZ      LYS  32   7.350  -0.503  14.056
  240    H    LYS  33           H        LYS  33   4.814   0.457   8.234
  241    HA   LYS  33           HA       LYS  33   7.594  -0.447   8.395
  242    HB2  LYS  33           2HB      LYS  33   5.832  -2.110   8.537
  243    HB3  LYS  33           1HB      LYS  33   5.227  -1.639   6.956
  244    HG2  LYS  33           2HG      LYS  33   7.334  -2.411   5.948
  245    HG3  LYS  33           1HG      LYS  33   7.881  -2.933   7.543
  246    HD2  LYS  33           2HD      LYS  33   5.981  -4.460   7.700
  247    HD3  LYS  33           1HD      LYS  33   5.415  -3.929   6.116
  248    HE2  LYS  33           2HE      LYS  33   6.586  -6.035   5.912
  249    HE3  LYS  33           1HE      LYS  33   7.504  -4.758   5.117
  250    HZ1  LYS  33           3HZ      LYS  33   8.944  -4.632   7.054
  251    HZ2  LYS  33           1HZ      LYS  33   8.933  -6.203   6.414
  252    HZ3  LYS  33           2HZ      LYS  33   8.057  -5.857   7.818
  253    H    ILE  34           H        ILE  34   5.445   0.002   5.545
  254    HA   ILE  34           HA       ILE  34   7.458  -0.084   3.636
  255    HB   ILE  34           HB       ILE  34   5.801   1.467   2.256
  256   HG12  ILE  34          2HG1      ILE  34   3.493   1.496   2.943
  257   HG13  ILE  34          1HG1      ILE  34   3.805   0.286   4.205
  258   HG21  ILE  34          1HG2      ILE  34   5.212  -1.374   3.035
  259   HG22  ILE  34          2HG2      ILE  34   6.290  -0.829   1.748
  260   HG23  ILE  34          3HG2      ILE  34   4.553  -0.545   1.625
  261   HD11  ILE  34          3HD1      ILE  34   4.982   1.950   5.464
  262   HD12  ILE  34          1HD1      ILE  34   3.360   2.495   5.046
  263   HD13  ILE  34          2HD1      ILE  34   4.754   3.116   4.160
  264    H    GLU  35           H        GLU  35   6.163   2.670   5.297
  265    HA   GLU  35           HA       GLU  35   6.529   4.932   4.925
  266    HB2  GLU  35           2HB      GLU  35   7.475   3.888   7.054
  267    HB3  GLU  35           1HB      GLU  35   9.055   4.131   6.318
  268    HG2  GLU  35           2HG      GLU  35   7.317   6.454   6.221
  269    HG3  GLU  35           1HG      GLU  35   7.744   5.949   7.858
  270    H    ASN  36           H        ASN  36   9.895   4.528   5.069
  271    HA   ASN  36           HA       ASN  36  10.266   6.418   2.987
  272    HB2  ASN  36           2HB      ASN  36  12.702   6.112   3.458
  273    HB3  ASN  36           1HB      ASN  36  11.727   6.513   4.869
  274   HD21  ASN  36          1HD2      ASN  36  11.492   5.042   6.502
  275   HD22  ASN  36          2HD2      ASN  36  12.406   3.569   6.581
  276    H    ASP  37           H        ASP  37   9.602   3.268   2.492
  277    HA   ASP  37           HA       ASP  37  11.594   2.706   0.482
  278    HB2  ASP  37           2HB      ASP  37   9.009   1.350   1.237
  279    HB3  ASP  37           1HB      ASP  37   9.946   0.846  -0.165
  280    HA   PRO  38           HA       PRO  38  10.059   4.963  -2.952
  281    HB2  PRO  38           2HB      PRO  38  10.479   3.027  -4.912
  282    HB3  PRO  38           1HB      PRO  38  11.676   4.195  -4.346
  283    HG2  PRO  38           2HG      PRO  38  11.290   1.341  -3.566
  284    HG3  PRO  38           1HG      PRO  38  12.795   2.253  -3.790
  285    HD2  PRO  38           2HD      PRO  38  11.857   1.701  -1.346
  286    HD3  PRO  38           1HD      PRO  38  12.642   3.257  -1.702
  287    H    ASP  39           H        ASP  39   8.924   1.715  -2.348
  288    HA   ASP  39           HA       ASP  39   6.780   1.606  -4.149
  289    HB2  ASP  39           2HB      ASP  39   7.210   0.272  -1.475
  290    HB3  ASP  39           1HB      ASP  39   5.846  -0.094  -2.525
  291    H    PHE  40           H        PHE  40   6.873   2.598  -0.735
  292    HA   PHE  40           HA       PHE  40   4.060   3.184  -0.666
  293    HB2  PHE  40           2HB      PHE  40   5.334   2.402   1.257
  294    HB3  PHE  40           1HB      PHE  40   6.320   3.844   1.210
  295    HD1  PHE  40           2HD      PHE  40   2.635   2.921   1.627
  296    HD2  PHE  40           1HD      PHE  40   5.918   5.440   2.698
  297    HE1  PHE  40           2HE      PHE  40   1.298   3.925   3.371
  298    HE2  PHE  40           1HE      PHE  40   4.549   6.424   4.469
  299    HZ   PHE  40           HZ       PHE  40   2.270   5.618   4.803
  300    H    TYR  41           H        TYR  41   6.733   4.821  -1.885
  301    HA   TYR  41           HA       TYR  41   5.465   7.447  -1.589
  302    HB2  TYR  41           2HB      TYR  41   8.207   6.639  -2.548
  303    HB3  TYR  41           1HB      TYR  41   7.596   8.281  -2.661
  304    HD1  TYR  41           2HD      TYR  41   6.077   8.040   0.084
  305    HD2  TYR  41           1HD      TYR  41  10.072   7.281  -1.164
  306    HE1  TYR  41           2HE      TYR  41   6.871   8.516   2.359
  307    HE2  TYR  41           1HE      TYR  41  10.877   7.754   1.108
  308    HH   TYR  41           HH       TYR  41   8.948   7.848   3.782
  309    H    LYS  42           H        LYS  42   4.958   4.997  -3.571
  310    HA   LYS  42           HA       LYS  42   5.214   6.180  -6.154
  311    HB2  LYS  42           2HB      LYS  42   3.467   3.939  -5.140
  312    HB3  LYS  42           1HB      LYS  42   3.528   4.419  -6.824
  313    HG2  LYS  42           2HG      LYS  42   5.882   3.447  -5.220
  314    HG3  LYS  42           1HG      LYS  42   4.922   2.456  -6.318
  315    HD2  LYS  42           2HD      LYS  42   5.539   3.956  -8.172
  316    HD3  LYS  42           1HD      LYS  42   6.547   4.887  -7.061
  317    HE2  LYS  42           2HE      LYS  42   7.940   2.955  -6.651
  318    HE3  LYS  42           1HE      LYS  42   6.894   1.951  -7.653
  319    HZ1  LYS  42           3HZ      LYS  42   8.799   2.574  -8.913
  320    HZ2  LYS  42           1HZ      LYS  42   8.583   4.220  -8.559
  321    HZ3  LYS  42           2HZ      LYS  42   7.467   3.408  -9.543
  322    H    ILE  43           H        ILE  43   2.969   6.508  -3.581
  323    HA   ILE  43           HA       ILE  43   1.348   8.289  -5.271
  324    HB   ILE  43           HB       ILE  43   0.410   6.633  -2.920
  325   HG12  ILE  43          2HG1      ILE  43  -0.367   6.589  -5.844
  326   HG13  ILE  43          1HG1      ILE  43   0.631   5.388  -5.034
  327   HG21  ILE  43          1HG2      ILE  43  -1.110   8.657  -4.566
  328   HG22  ILE  43          2HG2      ILE  43  -0.631   8.839  -2.878
  329   HG23  ILE  43          3HG2      ILE  43  -1.806   7.603  -3.333
  330   HD11  ILE  43          3HD1      ILE  43  -2.254   5.982  -4.430
  331   HD12  ILE  43          1HD1      ILE  43  -1.257   4.775  -3.619
  332   HD13  ILE  43          2HD1      ILE  43  -1.640   4.598  -5.332
  333    H    ARG  44           H        ARG  44   1.393  10.338  -4.691
  334    HA   ARG  44           HA       ARG  44   3.020  11.329  -2.654
  335    HB2  ARG  44           2HB      ARG  44   1.606  13.492  -3.101
  336    HB3  ARG  44           1HB      ARG  44   2.694  12.865  -4.333
  337    HG2  ARG  44           2HG      ARG  44   0.924  11.997  -5.608
  338    HG3  ARG  44           1HG      ARG  44  -0.218  12.140  -4.273
  339    HD2  ARG  44           2HD      ARG  44   1.112  14.566  -5.422
  340    HD3  ARG  44           1HD      ARG  44  -0.313  13.866  -6.191
  341    HE   ARG  44           HE       ARG  44  -0.979  14.120  -3.533
  342   HH11  ARG  44          1HH1      ARG  44   0.115  16.347  -6.020
  343   HH12  ARG  44          2HH1      ARG  44  -0.842  17.673  -5.416
  344   HH21  ARG  44          1HH2      ARG  44  -2.233  15.825  -2.765
  345   HH22  ARG  44          2HH2      ARG  44  -2.183  17.375  -3.556
  346    H    ASP  45           H        ASP  45  -0.493  10.852  -2.699
  347    HA   ASP  45           HA       ASP  45  -0.740  12.125  -0.107
  348    HB2  ASP  45           2HB      ASP  45  -2.719  11.098  -2.114
  349    HB3  ASP  45           1HB      ASP  45  -3.221  11.464  -0.465
  350    H    ASP  46           H        ASP  46  -0.532  11.109   1.690
  351    HA   ASP  46           HA       ASP  46  -0.348   8.255   1.895
  352    HB2  ASP  46           2HB      ASP  46   0.946   9.871   3.298
  353    HB3  ASP  46           1HB      ASP  46  -0.554  10.356   4.078
  354    H    THR  47           H        THR  47  -2.857  10.607   2.282
  355    HA   THR  47           HA       THR  47  -4.625   8.960   3.807
  356    HB   THR  47           HB       THR  47  -6.282  10.786   2.738
  357    HG1  THR  47           1HG      THR  47  -5.221  12.599   2.128
  358   HG21  THR  47          3HG2      THR  47  -5.836  10.473   5.118
  359   HG22  THR  47          1HG2      THR  47  -5.799  12.185   4.691
  360   HG23  THR  47          2HG2      THR  47  -4.289  11.308   4.945
  361    H    VAL  48           H        VAL  48  -3.593   8.659   0.710
  362    HA   VAL  48           HA       VAL  48  -6.091   7.366  -0.158
  363    HB   VAL  48           HB       VAL  48  -3.621   8.021  -1.793
  364   HG11  VAL  48          1HG1      VAL  48  -4.818   6.065  -2.637
  365   HG12  VAL  48          2HG1      VAL  48  -4.988   7.436  -3.733
  366   HG13  VAL  48          3HG1      VAL  48  -6.319   6.990  -2.667
  367   HG21  VAL  48          3HG2      VAL  48  -4.817  10.037  -1.121
  368   HG22  VAL  48          1HG2      VAL  48  -6.324   9.361  -1.738
  369   HG23  VAL  48          2HG2      VAL  48  -5.008   9.742  -2.849
  370    H    ARG  49           H        ARG  49  -2.872   6.886   0.894
  371    HA   ARG  49           HA       ARG  49  -2.199   4.433  -0.307
  372    HB2  ARG  49           2HB      ARG  49  -1.304   5.676   2.294
  373    HB3  ARG  49           1HB      ARG  49  -0.537   4.290   1.589
  374    HG2  ARG  49           2HG      ARG  49   0.020   5.619  -0.394
  375    HG3  ARG  49           1HG      ARG  49  -0.752   7.000   0.371
  376    HD2  ARG  49           2HD      ARG  49   0.863   6.815   2.242
  377    HD3  ARG  49           1HD      ARG  49   1.669   5.528   1.354
  378    HE   ARG  49           HE       ARG  49   1.786   7.437  -0.449
  379   HH11  ARG  49          1HH1      ARG  49   2.286   7.717   3.010
  380   HH12  ARG  49          2HH1      ARG  49   3.513   8.947   2.848
  381   HH21  ARG  49          1HH2      ARG  49   3.354   9.079  -0.644
  382   HH22  ARG  49          2HH2      ARG  49   4.095   9.729   0.787
  383    H    GLU  50           H        GLU  50  -3.635   5.096   2.891
  384    HA   GLU  50           HA       GLU  50  -3.863   2.260   3.280
  385    HB2  GLU  50           2HB      GLU  50  -5.280   3.237   5.247
  386    HB3  GLU  50           1HB      GLU  50  -3.632   2.899   5.348
  387    HG2  GLU  50           2HG      GLU  50  -4.220   4.873   6.283
  388    HG3  GLU  50           1HG      GLU  50  -3.058   5.124   5.130
  389    H    SER  51           H        SER  51  -5.918   4.663   2.001
  390    HA   SER  51           HA       SER  51  -8.229   2.977   2.068
  391    HB2  SER  51           2HB      SER  51  -7.466   5.054  -0.013
  392    HB3  SER  51           1HB      SER  51  -9.069   4.348   0.192
  393    HG   SER  51           HG       SER  51  -8.898   5.200   2.420
  394    H    LEU  52           H        LEU  52  -5.277   2.519   0.675
  395    HA   LEU  52           HA       LEU  52  -5.999   1.337  -1.727
  396    HB2  LEU  52           2HB      LEU  52  -3.486   1.348  -0.232
  397    HB3  LEU  52           1HB      LEU  52  -3.616   0.671  -1.791
  398    HG   LEU  52           HG       LEU  52  -4.035   3.561  -1.083
  399   HD11  LEU  52          1HD1      LEU  52  -1.723   2.935  -1.293
  400   HD12  LEU  52          2HD1      LEU  52  -2.217   3.994  -2.613
  401   HD13  LEU  52          3HD1      LEU  52  -2.039   2.263  -2.893
  402   HD21  LEU  52          3HD2      LEU  52  -4.490   3.984  -3.439
  403   HD22  LEU  52          1HD2      LEU  52  -5.705   2.929  -2.722
  404   HD23  LEU  52          2HD2      LEU  52  -4.450   2.250  -3.757
  405    H    PHE  53           H        PHE  53  -4.985   0.394   1.017
  406    HA   PHE  53           HA       PHE  53  -4.196  -2.190   0.487
  407    HB2  PHE  53           2HB      PHE  53  -3.172  -1.181   2.140
  408    HB3  PHE  53           1HB      PHE  53  -4.328   0.159   1.820
  409    HD1  PHE  53           2HD      PHE  53  -6.331   0.199   3.192
  410    HD2  PHE  53           1HD      PHE  53  -3.152  -2.371   4.163
  411    HE1  PHE  53           2HE      PHE  53  -7.237  -0.019   5.499
  412    HE2  PHE  53           1HE      PHE  53  -4.006  -2.624   6.464
  413    HZ   PHE  53           HZ       PHE  53  -6.063  -1.439   7.138
  414    H    GLU  54           H        GLU  54  -6.960  -0.595   1.847
  415    HA   GLU  54           HA       GLU  54  -8.503  -2.701   2.844
  416    HB2  GLU  54           2HB      GLU  54  -9.927  -0.666   1.208
  417    HB3  GLU  54           1HB      GLU  54 -10.306  -1.271   2.808
  418    HG2  GLU  54           2HG      GLU  54  -8.390   0.047   3.679
  419    HG3  GLU  54           1HG      GLU  54  -8.244   0.754   2.064
  420    H    GLU  55           H        GLU  55  -8.360  -1.383  -0.419
  421    HA   GLU  55           HA       GLU  55 -10.298  -3.103  -1.543
  422    HB2  GLU  55           2HB      GLU  55  -8.034  -1.721  -2.989
  423    HB3  GLU  55           1HB      GLU  55  -9.547  -2.282  -3.689
  424    HG2  GLU  55           2HG      GLU  55 -10.767  -0.646  -2.334
  425    HG3  GLU  55           1HG      GLU  55  -9.235  -0.075  -1.668
  426    H    TRP  56           H        TRP  56  -6.741  -3.232  -1.608
  427    HA   TRP  56           HA       TRP  56  -6.629  -5.620  -3.087
  428    HB2  TRP  56           2HB      TRP  56  -4.808  -4.217  -3.218
  429    HB3  TRP  56           1HB      TRP  56  -4.640  -4.172  -1.487
  430    HD1  TRP  56           HD       TRP  56  -3.937  -6.764  -4.131
  431    HE1  TRP  56           1HE      TRP  56  -2.181  -8.416  -3.226
  432    HE3  TRP  56           3HE      TRP  56  -3.412  -4.312  -0.547
  433    HZ2  TRP  56           2HZ      TRP  56  -0.478  -8.203  -0.843
  434    HZ3  TRP  56           3HZ      TRP  56  -1.707  -4.617   0.574
  435    HH2  TRP  56           HH       TRP  56  -0.237  -6.528   0.865
  436    H    CYS  57           H        CYS  57  -7.111  -4.941   0.156
  437    HA   CYS  57           HA       CYS  57  -6.179  -7.330   1.391
  438    HB2  CYS  57           2HB      CYS  57  -6.558  -5.296   2.713
  439    HB3  CYS  57           1HB      CYS  57  -8.278  -5.361   2.350
  440    HG   CYS  57           HG       CYS  57  -8.961  -6.945   4.250
  441    H    GLY  58           H        GLY  58  -9.396  -6.111   0.483
  442    HA2  GLY  58           2HA      GLY  58 -10.471  -8.849   0.550
  443    HA3  GLY  58           1HA      GLY  58 -11.421  -7.366   0.447
  444    H    GLU  59           H        GLU  59  -8.600  -8.372  -1.365
  445    HA   GLU  59           HA       GLU  59  -9.984  -7.646  -3.830
  446    HB2  GLU  59           2HB      GLU  59  -7.623  -6.803  -2.887
  447    HB3  GLU  59           1HB      GLU  59  -7.070  -8.289  -3.686
  448    HG2  GLU  59           2HG      GLU  59  -8.642  -6.144  -5.098
  449    HG3  GLU  59           1HG      GLU  59  -6.882  -6.213  -5.062
  Start of MODEL   14
    1    H1   ASP   5           H        ASP   5  -7.029   7.131 -10.696
    2    HA   ASP   5           HA       ASP   5  -9.649   7.486  -9.630
    3    HB2  ASP   5           2HB      ASP   5 -10.894   7.377 -11.766
    4    HB3  ASP   5           1HB      ASP   5  -9.996   8.872 -11.587
    5    H    ILE   6           H        ILE   6  -8.863   5.648  -8.636
    6    HA   ILE   6           HA       ILE   6  -8.156   3.523  -8.357
    7    HB   ILE   6           HB       ILE   6  -9.747   1.808  -9.074
    8   HG12  ILE   6          2HG1      ILE   6 -11.313   4.127 -10.235
    9   HG13  ILE   6          1HG1      ILE   6 -10.560   2.839 -11.165
   10   HG21  ILE   6          1HG2      ILE   6 -10.854   4.238  -7.687
   11   HG22  ILE   6          2HG2      ILE   6  -9.974   2.900  -6.949
   12   HG23  ILE   6          3HG2      ILE   6 -11.579   2.631  -7.628
   13   HD11  ILE   6          3HD1      ILE   6 -12.954   2.494 -10.929
   14   HD12  ILE   6          1HD1      ILE   6 -12.790   2.494  -9.174
   15   HD13  ILE   6          2HD1      ILE   6 -12.043   1.213 -10.129
   16    H    ASP   7           H        ASP   7  -6.294   3.314  -9.258
   17    HA   ASP   7           HA       ASP   7  -5.942   1.620 -11.388
   18    HB2  ASP   7           2HB      ASP   7  -6.367   3.476 -12.821
   19    HB3  ASP   7           1HB      ASP   7  -5.192   4.399 -11.893
   20    H    GLU   8           H        GLU   8  -4.776   3.877 -10.070
   21    HA   GLU   8           HA       GLU   8  -2.008   3.242  -9.657
   22    HB2  GLU   8           2HB      GLU   8  -1.820   5.272  -8.394
   23    HB3  GLU   8           1HB      GLU   8  -2.902   5.590  -9.741
   24    HG2  GLU   8           2HG      GLU   8  -3.741   5.040  -6.900
   25    HG3  GLU   8           1HG      GLU   8  -3.684   6.629  -7.672
   26    H    ARG   9           H        ARG   9  -4.901   2.927  -7.778
   27    HA   ARG   9           HA       ARG   9  -3.947   2.247  -5.290
   28    HB2  ARG   9           2HB      ARG   9  -6.054   1.072  -4.992
   29    HB3  ARG   9           1HB      ARG   9  -6.311   2.546  -5.899
   30    HG2  ARG   9           2HG      ARG   9  -6.438   1.265  -7.974
   31    HG3  ARG   9           1HG      ARG   9  -6.183  -0.220  -7.066
   32    HD2  ARG   9           2HD      ARG   9  -8.232   0.293  -5.772
   33    HD3  ARG   9           1HD      ARG   9  -8.525   1.665  -6.830
   34    HE   ARG   9           HE       ARG   9  -8.464  -0.220  -8.629
   35   HH11  ARG   9          1HH1      ARG   9  -9.870  -0.378  -5.430
   36   HH12  ARG   9          2HH1      ARG   9 -11.024  -1.603  -5.851
   37   HH21  ARG   9          1HH2      ARG   9  -9.977  -1.856  -9.187
   38   HH22  ARG   9          2HH2      ARG   9 -11.073  -2.453  -7.974
   39    H    ASN  10           H        ASN  10  -4.473   0.125  -8.054
   40    HA   ASN  10           HA       ASN  10  -3.789  -2.319  -6.784
   41    HB2  ASN  10           2HB      ASN  10  -3.609  -1.596  -9.738
   42    HB3  ASN  10           1HB      ASN  10  -3.630  -3.228  -9.071
   43   HD21  ASN  10          1HD2      ASN  10  -5.492  -0.358  -9.694
   44   HD22  ASN  10          2HD2      ASN  10  -7.050  -1.057  -9.395
   45    H    ILE  11           H        ILE  11  -1.855   0.241  -8.039
   46    HA   ILE  11           HA       ILE  11   0.564  -1.130  -8.330
   47    HB   ILE  11           HB       ILE  11   0.101   1.697  -7.361
   48   HG12  ILE  11          2HG1      ILE  11   0.779   0.615 -10.106
   49   HG13  ILE  11          1HG1      ILE  11  -0.789   1.244  -9.611
   50   HG21  ILE  11          1HG2      ILE  11   2.628   0.388  -8.364
   51   HG22  ILE  11          2HG2      ILE  11   2.308   0.910  -6.710
   52   HG23  ILE  11          3HG2      ILE  11   2.434   2.103  -8.003
   53   HD11  ILE  11          3HD1      ILE  11   1.772   2.820  -9.742
   54   HD12  ILE  11          1HD1      ILE  11   0.187   3.448  -9.287
   55   HD13  ILE  11          2HD1      ILE  11   0.466   2.863 -10.927
   56    H    PHE  12           H        PHE  12  -1.044   0.248  -5.432
   57    HA   PHE  12           HA       PHE  12   1.258  -0.291  -3.817
   58    HB2  PHE  12           2HB      PHE  12  -1.444   0.826  -3.334
   59    HB3  PHE  12           1HB      PHE  12  -0.603   0.131  -1.948
   60    HD1  PHE  12           1HD      PHE  12   0.650   2.052  -4.895
   61    HD2  PHE  12           2HD      PHE  12   0.164   1.960  -0.641
   62    HE1  PHE  12           1HE      PHE  12   1.973   4.104  -4.687
   63    HE2  PHE  12           2HE      PHE  12   1.495   4.009  -0.459
   64    HZ   PHE  12           HZ       PHE  12   2.398   5.085  -2.475
   65    H    PHE  13           H        PHE  13  -2.025  -1.835  -3.749
   66    HA   PHE  13           HA       PHE  13  -1.886  -4.389  -2.402
   67    HB2  PHE  13           2HB      PHE  13  -2.255  -4.367  -5.072
   68    HB3  PHE  13           1HB      PHE  13  -3.169  -5.020  -3.951
   69    HD1  PHE  13           1HD      PHE  13  -3.282  -1.826  -2.896
   70    HD2  PHE  13           2HD      PHE  13  -4.593  -4.258  -6.126
   71    HE1  PHE  13           1HE      PHE  13  -5.282  -0.422  -3.161
   72    HE2  PHE  13           2HE      PHE  13  -6.567  -2.840  -6.406
   73    HZ   PHE  13           HZ       PHE  13  -6.916  -0.937  -4.916
   74    H    GLU  14           H        GLU  14  -0.405  -3.481  -5.636
   75    HA   GLU  14           HA       GLU  14   0.776  -6.027  -6.053
   76    HB2  GLU  14           2HB      GLU  14   0.379  -4.219  -7.808
   77    HB3  GLU  14           1HB      GLU  14   1.817  -3.433  -7.186
   78    HG2  GLU  14           2HG      GLU  14   3.087  -5.519  -7.663
   79    HG3  GLU  14           1HG      GLU  14   1.646  -6.151  -8.458
   80    H    LEU  15           H        LEU  15   2.154  -2.928  -5.079
   81    HA   LEU  15           HA       LEU  15   4.670  -3.848  -4.232
   82    HB2  LEU  15           2HB      LEU  15   3.186  -1.713  -2.732
   83    HB3  LEU  15           1HB      LEU  15   4.898  -1.823  -3.057
   84    HG   LEU  15           HG       LEU  15   2.764  -1.152  -5.044
   85   HD11  LEU  15          1HD1      LEU  15   4.867   0.570  -3.765
   86   HD12  LEU  15          2HD1      LEU  15   3.129   0.634  -3.465
   87   HD13  LEU  15          3HD1      LEU  15   3.769   1.073  -5.049
   88   HD21  LEU  15          3HD2      LEU  15   4.596  -2.348  -6.110
   89   HD22  LEU  15          1HD2      LEU  15   5.761  -1.248  -5.375
   90   HD23  LEU  15          2HD2      LEU  15   4.617  -0.648  -6.576
   91    H    PHE  16           H        PHE  16   1.432  -4.082  -2.861
   92    HA   PHE  16           HA       PHE  16   2.365  -4.310  -0.176
   93    HB2  PHE  16           2HB      PHE  16  -0.082  -4.299  -1.793
   94    HB3  PHE  16           1HB      PHE  16  -0.203  -4.844  -0.176
   95    HD1  PHE  16           1HD      PHE  16   2.022  -2.221   0.088
   96    HD2  PHE  16           2HD      PHE  16  -2.140  -2.961  -0.829
   97    HE1  PHE  16           1HE      PHE  16   1.416   0.067   0.801
   98    HE2  PHE  16           2HE      PHE  16  -2.668  -0.706  -0.111
   99    HZ   PHE  16           HZ       PHE  16  -0.949   0.802   0.685
  100    H    ASP  17           H        ASP  17   1.476  -6.300  -2.884
  101    HA   ASP  17           HA       ASP  17   1.567  -8.771  -1.428
  102    HB2  ASP  17           2HB      ASP  17   0.264  -8.444  -3.551
  103    HB3  ASP  17           1HB      ASP  17   1.794  -8.386  -4.408
  104    H    ARG  18           H        ARG  18   3.625  -7.040  -3.634
  105    HA   ARG  18           HA       ARG  18   5.737  -8.870  -3.751
  106    HB2  ARG  18           2HB      ARG  18   5.422  -6.910  -5.266
  107    HB3  ARG  18           1HB      ARG  18   5.958  -5.865  -3.957
  108    HG2  ARG  18           2HG      ARG  18   8.132  -6.815  -3.976
  109    HG3  ARG  18           1HG      ARG  18   7.625  -8.099  -5.073
  110    HD2  ARG  18           2HD      ARG  18   7.186  -6.393  -6.808
  111    HD3  ARG  18           1HD      ARG  18   7.791  -5.154  -5.705
  112    HE   ARG  18           HE       ARG  18   9.969  -6.193  -5.833
  113   HH11  ARG  18          1HH1      ARG  18   7.629  -7.180  -8.260
  114   HH12  ARG  18          2HH1      ARG  18   8.832  -7.883  -9.303
  115   HH21  ARG  18          1HH2      ARG  18  11.533  -7.102  -7.207
  116   HH22  ARG  18          2HH2      ARG  18  11.044  -7.862  -8.692
  117    H    TYR  19           H        TYR  19   4.829  -6.618  -1.259
  118    HA   TYR  19           HA       TYR  19   7.339  -7.230   0.177
  119    HB2  TYR  19           2HB      TYR  19   5.288  -5.037   0.565
  120    HB3  TYR  19           1HB      TYR  19   6.497  -5.413   1.784
  121    HD1  TYR  19           2HD      TYR  19   7.247  -5.551  -1.827
  122    HD2  TYR  19           1HD      TYR  19   7.513  -3.213   1.725
  123    HE1  TYR  19           2HE      TYR  19   8.841  -4.048  -2.938
  124    HE2  TYR  19           1HE      TYR  19   9.107  -1.714   0.620
  125    HH   TYR  19           HH       TYR  19   9.527  -1.548  -2.630
  126    H    LYS  20           H        LYS  20   4.471  -8.427  -0.346
  127    HA   LYS  20           HA       LYS  20   2.754  -9.446   0.720
  128    HB2  LYS  20           2HB      LYS  20   4.415 -11.158   0.526
  129    HB3  LYS  20           1HB      LYS  20   5.132 -10.711   2.064
  130    HG2  LYS  20           2HG      LYS  20   3.784 -12.701   2.311
  131    HG3  LYS  20           1HG      LYS  20   3.051 -11.364   3.197
  132    HD2  LYS  20           2HD      LYS  20   1.279 -12.497   2.103
  133    HD3  LYS  20           1HD      LYS  20   1.552 -11.015   1.192
  134    HE2  LYS  20           2HE      LYS  20   2.931 -13.530   0.356
  135    HE3  LYS  20           1HE      LYS  20   1.229 -13.303  -0.039
  136    HZ1  LYS  20           3HZ      LYS  20   1.728 -11.412  -1.328
  137    HZ2  LYS  20           1HZ      LYS  20   2.871 -12.577  -1.769
  138    HZ3  LYS  20           2HZ      LYS  20   3.314 -11.312  -0.739
  139    H    LEU  21           H        LEU  21   1.807  -7.747   1.697
  140    HA   LEU  21           HA       LEU  21   2.559  -7.029   4.421
  141    HB2  LEU  21           2HB      LEU  21   0.354  -6.129   2.585
  142    HB3  LEU  21           1HB      LEU  21   0.570  -5.526   4.204
  143    HG   LEU  21           HG       LEU  21   1.350  -4.196   2.171
  144   HD11  LEU  21          1HD1      LEU  21   3.133  -3.130   3.473
  145   HD12  LEU  21          2HD1      LEU  21   3.122  -4.510   4.571
  146   HD13  LEU  21          3HD1      LEU  21   1.703  -3.473   4.447
  147   HD21  LEU  21          3HD2      LEU  21   2.803  -5.811   1.124
  148   HD22  LEU  21          1HD2      LEU  21   3.773  -5.916   2.592
  149   HD23  LEU  21          2HD2      LEU  21   3.743  -4.418   1.662
  150    H    ASP  22           H        ASP  22   1.006  -6.933   6.036
  151    HA   ASP  22           HA       ASP  22  -0.861  -9.174   5.996
  152    HB2  ASP  22           2HB      ASP  22  -0.045  -7.250   8.187
  153    HB3  ASP  22           1HB      ASP  22  -1.190  -8.571   8.423
  154    H    LYS  23           H        LYS  23  -2.067  -8.440   4.497
  155    HA   LYS  23           HA       LYS  23  -2.984  -5.777   4.242
  156    HB2  LYS  23           2HB      LYS  23  -2.928  -7.854   2.568
  157    HB3  LYS  23           1HB      LYS  23  -4.648  -7.828   2.980
  158    HG2  LYS  23           2HG      LYS  23  -3.224  -6.112   1.204
  159    HG3  LYS  23           1HG      LYS  23  -4.955  -6.069   1.646
  160    HD2  LYS  23           2HD      LYS  23  -4.248  -3.955   2.246
  161    HD3  LYS  23           1HD      LYS  23  -4.029  -4.823   3.767
  162    HE2  LYS  23           2HE      LYS  23  -1.626  -5.287   2.812
  163    HE3  LYS  23           1HE      LYS  23  -1.988  -3.895   1.796
  164    HZ1  LYS  23           3HZ      LYS  23  -2.464  -2.616   3.826
  165    HZ2  LYS  23           1HZ      LYS  23  -0.857  -3.137   3.723
  166    HZ3  LYS  23           2HZ      LYS  23  -1.941  -3.927   4.758
  167    H    PHE  24           H        PHE  24  -4.211  -8.530   5.974
  168    HA   PHE  24           HA       PHE  24  -6.758  -7.177   6.512
  169    HB2  PHE  24           2HB      PHE  24  -7.500  -9.468   7.268
  170    HB3  PHE  24           1HB      PHE  24  -7.110  -9.337   5.557
  171    HD1  PHE  24           1HD      PHE  24  -5.135 -10.422   4.643
  172    HD2  PHE  24           2HD      PHE  24  -6.144 -10.802   8.762
  173    HE1  PHE  24           1HE      PHE  24  -3.577 -12.317   4.851
  174    HE2  PHE  24           2HE      PHE  24  -4.587 -12.693   8.973
  175    HZ   PHE  24           HZ       PHE  24  -3.298 -13.454   7.015
  176    H    SER  25           H        SER  25  -4.225  -6.539   7.894
  177    HA   SER  25           HA       SER  25  -4.968  -7.400  10.613
  178    HB2  SER  25           2HB      SER  25  -2.818  -8.347   9.957
  179    HB3  SER  25           1HB      SER  25  -2.217  -6.747   9.532
  180    HG   SER  25           HG       SER  25  -2.378  -7.958  11.970
  181    H    THR  26           H        THR  26  -2.741  -4.889   9.472
  182    HA   THR  26           HA       THR  26  -4.431  -2.756  10.585
  183    HB   THR  26           HB       THR  26  -2.040  -1.873  11.464
  184    HG1  THR  26           1HG      THR  26  -2.029  -4.694  12.019
  185   HG21  THR  26          3HG2      THR  26  -2.759  -2.530  13.730
  186   HG22  THR  26          1HG2      THR  26  -3.925  -3.660  13.042
  187   HG23  THR  26          2HG2      THR  26  -4.114  -1.926  12.773
  188    H    TRP  27           H        TRP  27  -3.931  -0.822   9.932
  189    HA   TRP  27           HA       TRP  27  -2.956  -0.698   7.252
  190    HB2  TRP  27           2HB      TRP  27  -4.467   1.041   7.819
  191    HB3  TRP  27           1HB      TRP  27  -3.587   1.434   9.296
  192    HD1  TRP  27           HD       TRP  27  -2.503   3.781   8.866
  193    HE1  TRP  27           1HE      TRP  27  -1.263   4.984   7.070
  194    HE3  TRP  27           3HE      TRP  27  -2.908   0.245   5.360
  195    HZ2  TRP  27           2HZ      TRP  27  -0.600   4.552   4.495
  196    HZ3  TRP  27           3HZ      TRP  27  -2.008   0.810   3.138
  197    HH2  TRP  27           HH       TRP  27  -1.029   3.002   2.856
  198    H    SER  28           H        SER  28  -1.669   0.428  10.373
  199    HA   SER  28           HA       SER  28   0.596   1.255   8.944
  200    HB2  SER  28           2HB      SER  28   1.534   1.659  11.091
  201    HB3  SER  28           1HB      SER  28   0.467   2.767  10.359
  202    HG   SER  28           HG       SER  28  -0.238   0.840  12.362
  203    H    LEU  29           H        LEU  29   0.013  -1.600  10.878
  204    HA   LEU  29           HA       LEU  29   2.639  -2.353  11.300
  205    HB2  LEU  29           2HB      LEU  29   0.683  -3.813  11.801
  206    HB3  LEU  29           1HB      LEU  29   0.482  -4.099  10.083
  207    HG   LEU  29           HG       LEU  29   2.717  -5.178  10.030
  208   HD11  LEU  29          1HD1      LEU  29   3.791  -5.786  12.137
  209   HD12  LEU  29          2HD1      LEU  29   2.590  -4.850  13.027
  210   HD13  LEU  29          3HD1      LEU  29   3.713  -4.037  11.938
  211   HD21  LEU  29          3HD2      LEU  29   0.720  -6.534  10.248
  212   HD22  LEU  29          1HD2      LEU  29   0.744  -6.330  11.999
  213   HD23  LEU  29          2HD2      LEU  29   2.034  -7.228  11.199
  214    H    GLN  30           H        GLN  30   0.791  -1.874   8.514
  215    HA   GLN  30           HA       GLN  30   2.802  -2.830   6.643
  216    HB2  GLN  30           2HB      GLN  30   0.220  -1.417   5.991
  217    HB3  GLN  30           1HB      GLN  30   1.236  -2.348   4.900
  218    HG2  GLN  30           2HG      GLN  30  -0.754  -3.254   6.837
  219    HG3  GLN  30           1HG      GLN  30  -0.328  -3.925   5.310
  220   HE21  GLN  30          1HE2      GLN  30  -0.711  -4.990   8.103
  221   HE22  GLN  30          2HE2      GLN  30   0.676  -5.991   8.366
  222    H    SER  31           H        SER  31   1.214   0.202   7.470
  223    HA   SER  31           HA       SER  31   2.902   1.737   5.864
  224    HB2  SER  31           2HB      SER  31   1.784   3.748   6.803
  225    HB3  SER  31           1HB      SER  31   0.832   2.609   5.850
  226    HG   SER  31           HG       SER  31  -0.238   3.192   7.759
  227    H    LYS  32           H        LYS  32   3.253   1.102   9.276
  228    HA   LYS  32           HA       LYS  32   5.372   3.071   9.403
  229    HB2  LYS  32           2HB      LYS  32   5.979   2.090  11.557
  230    HB3  LYS  32           1HB      LYS  32   4.255   2.397  11.499
  231    HG2  LYS  32           2HG      LYS  32   4.423   0.341  12.556
  232    HG3  LYS  32           1HG      LYS  32   4.019  -0.080  10.896
  233    HD2  LYS  32           2HD      LYS  32   5.738  -1.563  11.737
  234    HD3  LYS  32           1HD      LYS  32   6.399  -0.545  10.457
  235    HE2  LYS  32           2HE      LYS  32   7.977  -0.725  12.287
  236    HE3  LYS  32           1HE      LYS  32   7.380   0.928  12.158
  237    HZ1  LYS  32           3HZ      LYS  32   6.415  -1.106  14.101
  238    HZ2  LYS  32           1HZ      LYS  32   5.866   0.493  13.987
  239    HZ3  LYS  32           2HZ      LYS  32   7.462   0.175  14.458
  240    H    LYS  33           H        LYS  33   4.752   0.120   8.119
  241    HA   LYS  33           HA       LYS  33   7.493  -0.912   8.144
  242    HB2  LYS  33           2HB      LYS  33   5.783  -2.555   8.272
  243    HB3  LYS  33           1HB      LYS  33   4.955  -1.905   6.867
  244    HG2  LYS  33           2HG      LYS  33   6.948  -2.576   5.500
  245    HG3  LYS  33           1HG      LYS  33   7.553  -3.417   6.930
  246    HD2  LYS  33           2HD      LYS  33   5.618  -4.848   6.972
  247    HD3  LYS  33           1HD      LYS  33   4.859  -3.929   5.671
  248    HE2  LYS  33           2HE      LYS  33   5.774  -5.954   4.758
  249    HE3  LYS  33           1HE      LYS  33   6.726  -4.589   4.179
  250    HZ1  LYS  33           3HZ      LYS  33   7.460  -6.477   6.352
  251    HZ2  LYS  33           1HZ      LYS  33   8.351  -5.091   5.947
  252    HZ3  LYS  33           2HZ      LYS  33   8.185  -6.342   4.824
  253    H    ILE  34           H        ILE  34   5.275  -0.117   5.440
  254    HA   ILE  34           HA       ILE  34   7.173  -0.322   3.407
  255    HB   ILE  34           HB       ILE  34   5.575   1.364   2.178
  256   HG12  ILE  34          2HG1      ILE  34   3.342   1.540   3.046
  257   HG13  ILE  34          1HG1      ILE  34   3.687   0.412   4.352
  258   HG21  ILE  34          1HG2      ILE  34   5.777  -0.984   1.665
  259   HG22  ILE  34          2HG2      ILE  34   4.078  -0.510   1.663
  260   HG23  ILE  34          3HG2      ILE  34   4.743  -1.399   3.032
  261   HD11  ILE  34          3HD1      ILE  34   5.098   2.099   5.366
  262   HD12  ILE  34          1HD1      ILE  34   3.458   2.685   5.101
  263   HD13  ILE  34          2HD1      ILE  34   4.758   3.187   4.020
  264    H    GLU  35           H        GLU  35   6.265   2.466   5.285
  265    HA   GLU  35           HA       GLU  35   7.462   4.543   4.374
  266    HB2  GLU  35           2HB      GLU  35   6.716   3.727   6.910
  267    HB3  GLU  35           1HB      GLU  35   8.400   4.203   7.089
  268    HG2  GLU  35           2HG      GLU  35   6.233   5.902   5.878
  269    HG3  GLU  35           1HG      GLU  35   6.855   6.043   7.510
  270    H    ASN  36           H        ASN  36   9.123   5.416   4.172
  271    HA   ASN  36           HA       ASN  36  11.328   5.902   3.737
  272    HB2  ASN  36           2HB      ASN  36  11.935   4.807   5.876
  273    HB3  ASN  36           1HB      ASN  36  12.041   3.265   5.035
  274   HD21  ASN  36          1HD2      ASN  36  13.813   2.831   3.763
  275   HD22  ASN  36          2HD2      ASN  36  15.216   3.846   3.718
  276    H    ASP  37           H        ASP  37   9.839   2.943   2.746
  277    HA   ASP  37           HA       ASP  37  11.730   2.423   0.637
  278    HB2  ASP  37           2HB      ASP  37   8.958   1.342   1.170
  279    HB3  ASP  37           1HB      ASP  37   9.931   0.846  -0.208
  280    HA   PRO  38           HA       PRO  38  10.279   5.364  -2.324
  281    HB2  PRO  38           2HB      PRO  38  10.781   3.333  -4.411
  282    HB3  PRO  38           1HB      PRO  38  11.496   4.934  -4.205
  283    HG2  PRO  38           2HG      PRO  38  12.892   2.704  -3.710
  284    HG3  PRO  38           1HG      PRO  38  13.110   4.176  -2.745
  285    HD2  PRO  38           2HD      PRO  38  11.616   1.673  -2.078
  286    HD3  PRO  38           1HD      PRO  38  12.628   2.698  -1.041
  287    H    ASP  39           H        ASP  39   8.865   2.297  -1.920
  288    HA   ASP  39           HA       ASP  39   6.934   2.561  -4.025
  289    HB2  ASP  39           2HB      ASP  39   7.385   0.517  -1.878
  290    HB3  ASP  39           1HB      ASP  39   5.944   0.483  -2.895
  291    H    PHE  40           H        PHE  40   6.918   3.067  -0.510
  292    HA   PHE  40           HA       PHE  40   4.101   3.277  -0.308
  293    HB2  PHE  40           2HB      PHE  40   5.615   2.946   1.625
  294    HB3  PHE  40           1HB      PHE  40   6.164   4.604   1.447
  295    HD1  PHE  40           2HD      PHE  40   2.724   2.983   1.576
  296    HD2  PHE  40           1HD      PHE  40   5.398   5.921   3.135
  297    HE1  PHE  40           2HE      PHE  40   1.017   3.695   3.124
  298    HE2  PHE  40           1HE      PHE  40   3.656   6.622   4.714
  299    HZ   PHE  40           HZ       PHE  40   1.478   5.478   4.702
  300    H    TYR  41           H        TYR  41   6.563   5.614  -1.257
  301    HA   TYR  41           HA       TYR  41   4.453   7.630  -1.367
  302    HB2  TYR  41           2HB      TYR  41   6.244   9.289  -1.811
  303    HB3  TYR  41           1HB      TYR  41   6.378   8.483  -0.261
  304    HD1  TYR  41           1HD      TYR  41   7.742   8.311  -3.744
  305    HD2  TYR  41           2HD      TYR  41   8.426   7.666   0.406
  306    HE1  TYR  41           1HE      TYR  41  10.118   7.874  -4.209
  307    HE2  TYR  41           2HE      TYR  41  10.797   7.214  -0.050
  308    HH   TYR  41           HH       TYR  41  12.300   6.718  -1.711
  309    H    LYS  42           H        LYS  42   4.793   5.328  -3.248
  310    HA   LYS  42           HA       LYS  42   5.280   6.366  -5.829
  311    HB2  LYS  42           2HB      LYS  42   3.588   4.114  -4.785
  312    HB3  LYS  42           1HB      LYS  42   3.494   4.565  -6.477
  313    HG2  LYS  42           2HG      LYS  42   6.009   3.725  -5.048
  314    HG3  LYS  42           1HG      LYS  42   5.013   2.679  -6.060
  315    HD2  LYS  42           2HD      LYS  42   5.381   4.402  -7.905
  316    HD3  LYS  42           1HD      LYS  42   6.651   5.062  -6.874
  317    HE2  LYS  42           2HE      LYS  42   6.493   2.254  -7.960
  318    HE3  LYS  42           1HE      LYS  42   7.596   3.522  -8.490
  319    HZ1  LYS  42           3HZ      LYS  42   8.367   3.496  -6.058
  320    HZ2  LYS  42           1HZ      LYS  42   8.866   2.236  -7.069
  321    HZ3  LYS  42           2HZ      LYS  42   7.609   1.982  -5.967
  322    H    ILE  43           H        ILE  43   2.573   6.578  -3.644
  323    HA   ILE  43           HA       ILE  43   1.059   8.127  -5.620
  324    HB   ILE  43           HB       ILE  43   0.160   6.926  -2.994
  325   HG12  ILE  43          2HG1      ILE  43   0.393   5.264  -4.735
  326   HG13  ILE  43          1HG1      ILE  43  -1.318   5.566  -4.459
  327   HG21  ILE  43          1HG2      ILE  43  -0.977   9.045  -3.359
  328   HG22  ILE  43          2HG2      ILE  43  -2.094   7.697  -3.581
  329   HG23  ILE  43          3HG2      ILE  43  -1.434   8.537  -4.985
  330   HD11  ILE  43          3HD1      ILE  43  -0.847   5.354  -6.822
  331   HD12  ILE  43          1HD1      ILE  43   0.331   6.663  -6.724
  332   HD13  ILE  43          2HD1      ILE  43  -1.378   6.992  -6.442
  333    H    ARG  44           H        ARG  44   0.649  10.218  -5.344
  334    HA   ARG  44           HA       ARG  44   2.398  11.811  -3.890
  335    HB2  ARG  44           2HB      ARG  44   0.737  13.660  -4.506
  336    HB3  ARG  44           1HB      ARG  44   1.455  12.742  -5.823
  337    HG2  ARG  44           2HG      ARG  44  -0.622  11.311  -5.805
  338    HG3  ARG  44           1HG      ARG  44  -1.325  12.490  -4.699
  339    HD2  ARG  44           2HD      ARG  44  -0.190  13.254  -7.378
  340    HD3  ARG  44           1HD      ARG  44  -1.866  12.755  -7.169
  341    HE   ARG  44           HE       ARG  44  -1.393  14.781  -5.327
  342   HH11  ARG  44          1HH1      ARG  44  -1.378  14.412  -8.809
  343   HH12  ARG  44          2HH1      ARG  44  -1.908  16.036  -9.118
  344   HH21  ARG  44          1HH2      ARG  44  -2.062  16.920  -5.723
  345   HH22  ARG  44          2HH2      ARG  44  -2.265  17.477  -7.358
  346    H    ASP  45           H        ASP  45  -0.718  10.538  -2.940
  347    HA   ASP  45           HA       ASP  45  -0.555  12.155  -0.486
  348    HB2  ASP  45           2HB      ASP  45  -2.955  11.318  -2.083
  349    HB3  ASP  45           1HB      ASP  45  -3.095  11.749  -0.380
  350    H    ASP  46           H        ASP  46  -1.063  11.260   1.435
  351    HA   ASP  46           HA       ASP  46  -0.449   8.388   1.620
  352    HB2  ASP  46           2HB      ASP  46   0.871  10.054   2.900
  353    HB3  ASP  46           1HB      ASP  46  -0.590  10.573   3.730
  354    H    THR  47           H        THR  47  -3.029  10.655   2.267
  355    HA   THR  47           HA       THR  47  -4.561   8.784   3.842
  356    HB   THR  47           HB       THR  47  -5.637  11.301   2.579
  357    HG1  THR  47           1HG      THR  47  -3.883  10.969   4.797
  358   HG21  THR  47          3HG2      THR  47  -6.226   9.900   5.194
  359   HG22  THR  47          1HG2      THR  47  -7.244   9.861   3.753
  360   HG23  THR  47          2HG2      THR  47  -7.001  11.377   4.622
  361    H    VAL  48           H        VAL  48  -3.697   8.509   0.870
  362    HA   VAL  48           HA       VAL  48  -6.250   7.316   0.019
  363    HB   VAL  48           HB       VAL  48  -3.904   8.065  -1.750
  364   HG11  VAL  48          1HG1      VAL  48  -5.429   7.599  -3.607
  365   HG12  VAL  48          2HG1      VAL  48  -6.675   7.106  -2.458
  366   HG13  VAL  48          3HG1      VAL  48  -5.183   6.174  -2.597
  367   HG21  VAL  48          3HG2      VAL  48  -5.323   9.862  -2.615
  368   HG22  VAL  48          1HG2      VAL  48  -4.999  10.068  -0.892
  369   HG23  VAL  48          2HG2      VAL  48  -6.564   9.455  -1.429
  370    H    ARG  49           H        ARG  49  -3.020   6.891   0.981
  371    HA   ARG  49           HA       ARG  49  -2.309   4.483  -0.320
  372    HB2  ARG  49           2HB      ARG  49  -1.347   5.808   2.204
  373    HB3  ARG  49           1HB      ARG  49  -0.590   4.393   1.573
  374    HG2  ARG  49           2HG      ARG  49  -0.089   5.563  -0.493
  375    HG3  ARG  49           1HG      ARG  49  -0.906   6.972   0.155
  376    HD2  ARG  49           2HD      ARG  49   0.768   6.973   2.025
  377    HD3  ARG  49           1HD      ARG  49   1.636   5.727   1.132
  378    HE   ARG  49           HE       ARG  49   1.435   7.590  -0.732
  379   HH11  ARG  49          1HH1      ARG  49   2.261   7.967   2.648
  380   HH12  ARG  49          2HH1      ARG  49   3.350   9.292   2.356
  381   HH21  ARG  49          1HH2      ARG  49   2.841   9.326  -1.119
  382   HH22  ARG  49          2HH2      ARG  49   3.682  10.069   0.214
  383    H    GLU  50           H        GLU  50  -3.623   5.134   2.898
  384    HA   GLU  50           HA       GLU  50  -3.887   2.315   3.356
  385    HB2  GLU  50           2HB      GLU  50  -5.232   3.375   5.327
  386    HB3  GLU  50           1HB      GLU  50  -3.596   3.002   5.396
  387    HG2  GLU  50           2HG      GLU  50  -4.179   5.008   6.287
  388    HG3  GLU  50           1HG      GLU  50  -2.960   5.187   5.182
  389    H    SER  51           H        SER  51  -5.867   4.677   1.995
  390    HA   SER  51           HA       SER  51  -8.173   2.957   2.089
  391    HB2  SER  51           2HB      SER  51  -7.477   4.998  -0.056
  392    HB3  SER  51           1HB      SER  51  -9.077   4.335   0.282
  393    HG   SER  51           HG       SER  51  -8.592   5.264   2.522
  394    H    LEU  52           H        LEU  52  -5.198   2.538   0.691
  395    HA   LEU  52           HA       LEU  52  -5.964   1.324  -1.680
  396    HB2  LEU  52           2HB      LEU  52  -3.366   1.407  -0.344
  397    HB3  LEU  52           1HB      LEU  52  -3.586   0.728  -1.906
  398    HG   LEU  52           HG       LEU  52  -4.048   3.604  -1.149
  399   HD11  LEU  52          1HD1      LEU  52  -2.377   4.125  -2.815
  400   HD12  LEU  52          2HD1      LEU  52  -2.151   2.405  -3.134
  401   HD13  LEU  52          3HD1      LEU  52  -1.732   3.073  -1.557
  402   HD21  LEU  52          3HD2      LEU  52  -4.710   4.013  -3.463
  403   HD22  LEU  52          1HD2      LEU  52  -5.821   2.916  -2.642
  404   HD23  LEU  52          2HD2      LEU  52  -4.639   2.280  -3.784
  405    H    PHE  53           H        PHE  53  -5.059   0.349   1.112
  406    HA   PHE  53           HA       PHE  53  -4.248  -2.235   0.414
  407    HB2  PHE  53           2HB      PHE  53  -3.102  -1.431   2.100
  408    HB3  PHE  53           1HB      PHE  53  -4.098   0.037   1.741
  409    HD1  PHE  53           1HD      PHE  53  -3.954  -3.062   3.926
  410    HD2  PHE  53           2HD      PHE  53  -5.353   0.877   3.390
  411    HE1  PHE  53           1HE      PHE  53  -4.824  -3.101   6.228
  412    HE2  PHE  53           2HE      PHE  53  -6.252   0.875   5.706
  413    HZ   PHE  53           HZ       PHE  53  -5.983  -1.119   7.125
  414    H    GLU  54           H        GLU  54  -6.854  -0.616   2.065
  415    HA   GLU  54           HA       GLU  54  -8.371  -2.744   3.053
  416    HB2  GLU  54           2HB      GLU  54  -9.882  -0.627   1.623
  417    HB3  GLU  54           1HB      GLU  54 -10.104  -1.261   3.245
  418    HG2  GLU  54           2HG      GLU  54  -7.998  -0.031   3.871
  419    HG3  GLU  54           1HG      GLU  54  -8.136   0.770   2.304
  420    H    GLU  55           H        GLU  55  -8.281  -1.344  -0.195
  421    HA   GLU  55           HA       GLU  55 -10.308  -3.034  -1.246
  422    HB2  GLU  55           2HB      GLU  55  -8.207  -1.299  -2.520
  423    HB3  GLU  55           1HB      GLU  55  -9.293  -2.285  -3.489
  424    HG2  GLU  55           2HG      GLU  55 -10.195  -0.212  -1.506
  425    HG3  GLU  55           1HG      GLU  55 -10.003   0.073  -3.236
  426    H    TRP  56           H        TRP  56  -6.742  -3.181  -1.570
  427    HA   TRP  56           HA       TRP  56  -6.742  -5.451  -3.221
  428    HB2  TRP  56           2HB      TRP  56  -4.852  -4.193  -3.329
  429    HB3  TRP  56           1HB      TRP  56  -4.693  -4.131  -1.598
  430    HD1  TRP  56           HD       TRP  56  -3.953  -6.722  -4.234
  431    HE1  TRP  56           1HE      TRP  56  -2.226  -8.387  -3.304
  432    HE3  TRP  56           3HE      TRP  56  -3.492  -4.290  -0.642
  433    HZ2  TRP  56           2HZ      TRP  56  -0.572  -8.186  -0.880
  434    HZ3  TRP  56           3HZ      TRP  56  -1.826  -4.613   0.521
  435    HH2  TRP  56           HH       TRP  56  -0.357  -6.522   0.829
  436    H    CYS  57           H        CYS  57  -7.213  -5.057   0.017
  437    HA   CYS  57           HA       CYS  57  -6.201  -7.446   1.141
  438    HB2  CYS  57           2HB      CYS  57  -6.760  -5.508   2.538
  439    HB3  CYS  57           1HB      CYS  57  -8.463  -5.681   2.124
  440    HG   CYS  57           HG       CYS  57  -8.233  -6.604   4.710
  441    H    GLY  58           H        GLY  58  -9.423  -6.447   0.008
  442    HA2  GLY  58           2HA      GLY  58 -10.203  -9.305  -0.089
  443    HA3  GLY  58           1HA      GLY  58 -11.341  -7.984   0.162
  444    H    GLU  59           H        GLU  59  -8.704  -7.676  -1.996
  445    HA   GLU  59           HA       GLU  59 -10.449  -6.965  -4.153
  446    HB2  GLU  59           2HB      GLU  59  -7.883  -6.282  -3.308
  447    HB3  GLU  59           1HB      GLU  59  -7.607  -7.238  -4.787
  448    HG2  GLU  59           2HG      GLU  59  -9.084  -4.650  -4.466
  449    HG3  GLU  59           1HG      GLU  59  -7.732  -5.029  -5.526
  Start of MODEL   15
    1    H1   ASP   5           H        ASP   5  -6.945   7.658  -9.277
    2    HA   ASP   5           HA       ASP   5  -9.802   8.010  -9.127
    3    HB2  ASP   5           2HB      ASP   5  -9.190   9.653 -10.907
    4    HB3  ASP   5           1HB      ASP   5  -8.477   8.335 -11.835
    5    H    ILE   6           H        ILE   6  -9.022   6.049  -8.124
    6    HA   ILE   6           HA       ILE   6  -8.282   3.888  -8.049
    7    HB   ILE   6           HB       ILE   6  -9.959   2.348  -9.009
    8   HG12  ILE   6          2HG1      ILE   6 -11.364   4.920  -9.784
    9   HG13  ILE   6          1HG1      ILE   6 -10.713   3.734 -10.909
   10   HG21  ILE   6          1HG2      ILE   6 -10.912   4.614  -7.268
   11   HG22  ILE   6          2HG2      ILE   6 -10.081   3.153  -6.736
   12   HG23  ILE   6          3HG2      ILE   6 -11.706   3.046  -7.413
   13   HD11  ILE   6          3HD1      ILE   6 -12.309   2.080 -10.069
   14   HD12  ILE   6          1HD1      ILE   6 -13.115   3.512 -10.709
   15   HD13  ILE   6          2HD1      ILE   6 -12.968   3.288  -8.966
   16    H    ASP   7           H        ASP   7  -6.424   3.665  -8.958
   17    HA   ASP   7           HA       ASP   7  -6.122   2.086 -11.160
   18    HB2  ASP   7           2HB      ASP   7  -6.473   3.968 -12.569
   19    HB3  ASP   7           1HB      ASP   7  -5.309   4.862 -11.596
   20    H    GLU   8           H        GLU   8  -4.896   4.242  -9.730
   21    HA   GLU   8           HA       GLU   8  -2.141   3.570  -9.423
   22    HB2  GLU   8           2HB      GLU   8  -1.925   5.469  -7.969
   23    HB3  GLU   8           1HB      GLU   8  -3.029   5.907  -9.263
   24    HG2  GLU   8           2HG      GLU   8  -3.811   5.119  -6.463
   25    HG3  GLU   8           1HG      GLU   8  -3.777   6.761  -7.107
   26    H    ARG   9           H        ARG   9  -4.971   3.006  -7.520
   27    HA   ARG   9           HA       ARG   9  -3.944   2.229  -5.077
   28    HB2  ARG   9           2HB      ARG   9  -6.039   0.997  -4.814
   29    HB3  ARG   9           1HB      ARG   9  -6.326   2.522  -5.629
   30    HG2  ARG   9           2HG      ARG   9  -6.402   1.353  -7.780
   31    HG3  ARG   9           1HG      ARG   9  -6.173  -0.171  -6.937
   32    HD2  ARG   9           2HD      ARG   9  -8.260   0.226  -5.705
   33    HD3  ARG   9           1HD      ARG   9  -8.514   1.704  -6.628
   34    HE   ARG   9           HE       ARG   9  -8.927   0.389  -8.555
   35   HH11  ARG   9          1HH1      ARG   9  -8.423  -1.489  -5.650
   36   HH12  ARG   9          2HH1      ARG   9  -9.012  -2.975  -6.326
   37   HH21  ARG   9          1HH2      ARG   9  -9.778  -1.533  -9.453
   38   HH22  ARG   9          2HH2      ARG   9  -9.822  -2.985  -8.503
   39    H    ASN  10           H        ASN  10  -4.507   0.217  -7.924
   40    HA   ASN  10           HA       ASN  10  -3.837  -2.288  -6.773
   41    HB2  ASN  10           2HB      ASN  10  -3.586  -1.406  -9.689
   42    HB3  ASN  10           1HB      ASN  10  -3.631  -3.069  -9.112
   43   HD21  ASN  10          1HD2      ASN  10  -5.470  -0.157  -9.620
   44   HD22  ASN  10          2HD2      ASN  10  -7.038  -0.862  -9.393
   45    H    ILE  11           H        ILE  11  -1.858   0.281  -8.048
   46    HA   ILE  11           HA       ILE  11   0.556  -1.048  -8.318
   47    HB   ILE  11           HB       ILE  11   0.059   1.724  -7.213
   48   HG12  ILE  11          2HG1      ILE  11   0.825   0.803  -9.993
   49   HG13  ILE  11          1HG1      ILE  11  -0.778   1.347  -9.506
   50   HG21  ILE  11          1HG2      ILE  11   2.401   2.189  -7.785
   51   HG22  ILE  11          2HG2      ILE  11   2.620   0.496  -8.228
   52   HG23  ILE  11          3HG2      ILE  11   2.263   0.929  -6.556
   53   HD11  ILE  11          3HD1      ILE  11   0.429   3.092 -10.691
   54   HD12  ILE  11          1HD1      ILE  11   1.727   3.015  -9.499
   55   HD13  ILE  11          2HD1      ILE  11   0.121   3.561  -9.018
   56    H    PHE  12           H        PHE  12  -0.975   0.284  -5.359
   57    HA   PHE  12           HA       PHE  12   1.324  -0.349  -3.787
   58    HB2  PHE  12           2HB      PHE  12  -1.384   0.747  -3.225
   59    HB3  PHE  12           1HB      PHE  12  -0.471   0.085  -1.879
   60    HD1  PHE  12           1HD      PHE  12   0.673   1.991  -4.865
   61    HD2  PHE  12           2HD      PHE  12   0.218   1.974  -0.611
   62    HE1  PHE  12           1HE      PHE  12   1.896   4.109  -4.712
   63    HE2  PHE  12           2HE      PHE  12   1.450   4.084  -0.480
   64    HZ   PHE  12           HZ       PHE  12   2.285   5.158  -2.526
   65    H    PHE  13           H        PHE  13  -1.982  -1.871  -3.750
   66    HA   PHE  13           HA       PHE  13  -1.893  -4.424  -2.376
   67    HB2  PHE  13           2HB      PHE  13  -2.186  -4.332  -5.062
   68    HB3  PHE  13           1HB      PHE  13  -3.120  -5.073  -4.020
   69    HD1  PHE  13           2HD      PHE  13  -3.289  -1.893  -2.855
   70    HD2  PHE  13           1HD      PHE  13  -4.532  -4.278  -6.146
   71    HE1  PHE  13           2HE      PHE  13  -5.278  -0.481  -3.148
   72    HE2  PHE  13           1HE      PHE  13  -6.523  -2.895  -6.411
   73    HZ   PHE  13           HZ       PHE  13  -6.900  -1.009  -4.914
   74    H    GLU  14           H        GLU  14  -0.443  -3.603  -5.641
   75    HA   GLU  14           HA       GLU  14   0.661  -6.230  -5.874
   76    HB2  GLU  14           2HB      GLU  14   1.127  -3.728  -7.492
   77    HB3  GLU  14           1HB      GLU  14   1.941  -5.249  -7.835
   78    HG2  GLU  14           2HG      GLU  14  -0.354  -6.291  -8.000
   79    HG3  GLU  14           1HG      GLU  14  -0.998  -4.650  -7.974
   80    H    LEU  15           H        LEU  15   2.017  -3.064  -5.053
   81    HA   LEU  15           HA       LEU  15   4.602  -4.029  -4.387
   82    HB2  LEU  15           2HB      LEU  15   3.262  -1.839  -2.835
   83    HB3  LEU  15           1HB      LEU  15   4.949  -2.006  -3.243
   84    HG   LEU  15           HG       LEU  15   2.714  -1.154  -5.035
   85   HD11  LEU  15          1HD1      LEU  15   3.508   0.562  -3.530
   86   HD12  LEU  15          2HD1      LEU  15   4.003   0.925  -5.184
   87   HD13  LEU  15          3HD1      LEU  15   5.172   0.268  -4.036
   88   HD21  LEU  15          3HD2      LEU  15   4.417  -0.881  -6.792
   89   HD22  LEU  15          1HD2      LEU  15   4.246  -2.568  -6.309
   90   HD23  LEU  15          2HD2      LEU  15   5.618  -1.622  -5.733
   91    H    PHE  16           H        PHE  16   1.417  -4.136  -2.894
   92    HA   PHE  16           HA       PHE  16   2.412  -4.355  -0.246
   93    HB2  PHE  16           2HB      PHE  16  -0.074  -4.333  -1.800
   94    HB3  PHE  16           1HB      PHE  16  -0.168  -4.891  -0.183
   95    HD1  PHE  16           1HD      PHE  16   2.068  -2.280   0.123
   96    HD2  PHE  16           2HD      PHE  16  -2.105  -2.975  -0.845
   97    HE1  PHE  16           1HE      PHE  16   1.473  -0.013   0.874
   98    HE2  PHE  16           2HE      PHE  16  -2.611  -0.728  -0.083
   99    HZ   PHE  16           HZ       PHE  16  -0.877   0.749   0.758
  100    H    ASP  17           H        ASP  17   1.487  -6.418  -2.891
  101    HA   ASP  17           HA       ASP  17   1.658  -8.848  -1.364
  102    HB2  ASP  17           2HB      ASP  17   0.345  -8.582  -3.520
  103    HB3  ASP  17           1HB      ASP  17   1.891  -8.566  -4.360
  104    H    ARG  18           H        ARG  18   3.660  -7.092  -3.617
  105    HA   ARG  18           HA       ARG  18   5.864  -8.803  -3.707
  106    HB2  ARG  18           2HB      ARG  18   5.479  -6.860  -5.212
  107    HB3  ARG  18           1HB      ARG  18   5.880  -5.782  -3.881
  108    HG2  ARG  18           2HG      ARG  18   8.124  -6.762  -3.785
  109    HG3  ARG  18           1HG      ARG  18   7.715  -7.794  -5.155
  110    HD2  ARG  18           2HD      ARG  18   7.272  -5.764  -6.496
  111    HD3  ARG  18           1HD      ARG  18   7.800  -4.783  -5.129
  112    HE   ARG  18           HE       ARG  18   9.550  -6.686  -6.568
  113   HH11  ARG  18          1HH1      ARG  18   9.042  -3.658  -4.861
  114   HH12  ARG  18          2HH1      ARG  18  10.680  -3.117  -5.077
  115   HH21  ARG  18          1HH2      ARG  18  11.702  -5.955  -6.853
  116   HH22  ARG  18          2HH2      ARG  18  12.175  -4.415  -6.201
  117    H    TYR  19           H        TYR  19   4.823  -6.557  -1.261
  118    HA   TYR  19           HA       TYR  19   7.349  -6.997   0.203
  119    HB2  TYR  19           2HB      TYR  19   5.226  -4.859   0.480
  120    HB3  TYR  19           1HB      TYR  19   6.488  -5.109   1.679
  121    HD1  TYR  19           1HD      TYR  19   6.339  -4.788  -2.058
  122    HD2  TYR  19           2HD      TYR  19   8.190  -3.580   1.572
  123    HE1  TYR  19           1HE      TYR  19   7.802  -3.275  -3.320
  124    HE2  TYR  19           2HE      TYR  19   9.665  -2.066   0.319
  125    HH   TYR  19           HH       TYR  19   9.104  -1.147  -2.828
  126    H    LYS  20           H        LYS  20   4.711  -8.530  -0.230
  127    HA   LYS  20           HA       LYS  20   3.155  -9.734   0.903
  128    HB2  LYS  20           2HB      LYS  20   4.177 -11.344   2.471
  129    HB3  LYS  20           1HB      LYS  20   5.101 -11.166   0.988
  130    HG2  LYS  20           2HG      LYS  20   6.701  -9.734   2.153
  131    HG3  LYS  20           1HG      LYS  20   5.769  -9.903   3.641
  132    HD2  LYS  20           2HD      LYS  20   6.135 -12.375   3.488
  133    HD3  LYS  20           1HD      LYS  20   7.233 -12.068   2.141
  134    HE2  LYS  20           2HE      LYS  20   7.526 -11.008   4.951
  135    HE3  LYS  20           1HE      LYS  20   8.454 -12.329   4.241
  136    HZ1  LYS  20           3HZ      LYS  20   9.400 -10.789   2.654
  137    HZ2  LYS  20           1HZ      LYS  20   9.669 -10.220   4.229
  138    HZ3  LYS  20           2HZ      LYS  20   8.466  -9.518   3.269
  139    H    LEU  21           H        LEU  21   2.022  -7.686   1.679
  140    HA   LEU  21           HA       LEU  21   2.674  -6.883   4.376
  141    HB2  LEU  21           2HB      LEU  21   0.445  -6.234   2.478
  142    HB3  LEU  21           1HB      LEU  21   0.531  -5.583   4.096
  143    HG   LEU  21           HG       LEU  21   1.276  -4.182   2.140
  144   HD11  LEU  21          1HD1      LEU  21   1.624  -3.500   4.422
  145   HD12  LEU  21          2HD1      LEU  21   3.040  -3.088   3.455
  146   HD13  LEU  21          3HD1      LEU  21   3.076  -4.495   4.516
  147   HD21  LEU  21          3HD2      LEU  21   3.659  -4.275   1.586
  148   HD22  LEU  21          1HD2      LEU  21   2.785  -5.702   1.034
  149   HD23  LEU  21          2HD2      LEU  21   3.785  -5.787   2.484
  150    H    ASP  22           H        ASP  22   1.113  -6.868   6.052
  151    HA   ASP  22           HA       ASP  22  -0.810  -9.077   5.927
  152    HB2  ASP  22           2HB      ASP  22   0.268  -7.441   8.212
  153    HB3  ASP  22           1HB      ASP  22  -1.170  -8.439   8.397
  154    H    LYS  23           H        LYS  23  -2.178  -8.323   4.632
  155    HA   LYS  23           HA       LYS  23  -2.869  -5.598   4.334
  156    HB2  LYS  23           2HB      LYS  23  -3.193  -7.840   2.828
  157    HB3  LYS  23           1HB      LYS  23  -4.848  -7.460   3.303
  158    HG2  LYS  23           2HG      LYS  23  -3.106  -6.096   1.408
  159    HG3  LYS  23           1HG      LYS  23  -4.861  -5.946   1.665
  160    HD2  LYS  23           2HD      LYS  23  -4.197  -3.834   2.214
  161    HD3  LYS  23           1HD      LYS  23  -4.021  -4.593   3.797
  162    HE2  LYS  23           2HE      LYS  23  -1.604  -5.134   2.634
  163    HE3  LYS  23           1HE      LYS  23  -1.990  -3.548   1.961
  164    HZ1  LYS  23           3HZ      LYS  23  -2.357  -2.739   4.239
  165    HZ2  LYS  23           1HZ      LYS  23  -0.769  -3.262   3.979
  166    HZ3  LYS  23           2HZ      LYS  23  -1.849  -4.233   4.844
  167    H    PHE  24           H        PHE  24  -4.189  -8.191   6.277
  168    HA   PHE  24           HA       PHE  24  -6.717  -6.849   6.764
  169    HB2  PHE  24           2HB      PHE  24  -5.581  -9.446   7.815
  170    HB3  PHE  24           1HB      PHE  24  -7.188  -8.843   8.195
  171    HD1  PHE  24           1HD      PHE  24  -5.028 -10.099   5.477
  172    HD2  PHE  24           2HD      PHE  24  -8.986  -9.121   6.699
  173    HE1  PHE  24           1HE      PHE  24  -5.918 -11.220   3.477
  174    HE2  PHE  24           2HE      PHE  24  -9.883 -10.237   4.697
  175    HZ   PHE  24           HZ       PHE  24  -8.350 -11.287   3.083
  176    H    SER  25           H        SER  25  -3.657  -7.249   8.381
  177    HA   SER  25           HA       SER  25  -4.561  -7.123  11.042
  178    HB2  SER  25           2HB      SER  25  -2.362  -8.023  10.385
  179    HB3  SER  25           1HB      SER  25  -1.832  -6.403   9.947
  180    HG   SER  25           HG       SER  25  -1.824  -7.578  12.349
  181    H    THR  26           H        THR  26  -2.447  -4.601   9.701
  182    HA   THR  26           HA       THR  26  -4.262  -2.496  10.673
  183    HB   THR  26           HB       THR  26  -1.936  -1.382  11.401
  184    HG1  THR  26           1HG      THR  26  -1.150  -3.506  12.724
  185   HG21  THR  26          3HG2      THR  26  -2.490  -1.962  13.730
  186   HG22  THR  26          1HG2      THR  26  -3.564  -3.244  13.164
  187   HG23  THR  26          2HG2      THR  26  -3.940  -1.558  12.810
  188    H    TRP  27           H        TRP  27  -3.925  -0.592   9.844
  189    HA   TRP  27           HA       TRP  27  -3.065  -0.590   7.135
  190    HB2  TRP  27           2HB      TRP  27  -4.614   1.120   7.624
  191    HB3  TRP  27           1HB      TRP  27  -3.767   1.587   9.097
  192    HD1  TRP  27           HD       TRP  27  -2.862   4.012   8.615
  193    HE1  TRP  27           1HE      TRP  27  -1.639   5.230   6.825
  194    HE3  TRP  27           3HE      TRP  27  -2.928   0.369   5.189
  195    HZ2  TRP  27           2HZ      TRP  27  -0.924   4.814   4.314
  196    HZ3  TRP  27           3HZ      TRP  27  -2.000   0.949   2.982
  197    HH2  TRP  27           HH       TRP  27  -1.154   3.191   2.665
  198    H    SER  28           H        SER  28  -1.722   0.751  10.128
  199    HA   SER  28           HA       SER  28   0.459   1.630   8.579
  200    HB2  SER  28           2HB      SER  28   1.442   2.271  10.625
  201    HB3  SER  28           1HB      SER  28   0.169   3.221   9.959
  202    HG   SER  28           HG       SER  28  -0.237   2.966  12.182
  203    H    LEU  29           H        LEU  29   0.163  -1.052  10.868
  204    HA   LEU  29           HA       LEU  29   2.878  -1.496  11.258
  205    HB2  LEU  29           2HB      LEU  29   0.992  -2.977  12.089
  206    HB3  LEU  29           1HB      LEU  29   0.905  -3.660  10.479
  207    HG   LEU  29           HG       LEU  29   3.254  -4.435  10.716
  208   HD11  LEU  29          1HD1      LEU  29   4.261  -4.466  12.943
  209   HD12  LEU  29          2HD1      LEU  29   2.919  -3.506  13.564
  210   HD13  LEU  29          3HD1      LEU  29   4.015  -2.817  12.366
  211   HD21  LEU  29          3HD2      LEU  29   2.741  -6.273  12.245
  212   HD22  LEU  29          1HD2      LEU  29   1.391  -5.937  11.160
  213   HD23  LEU  29          2HD2      LEU  29   1.335  -5.389  12.836
  214    H    GLN  30           H        GLN  30   0.895  -1.614   8.543
  215    HA   GLN  30           HA       GLN  30   2.938  -2.655   6.732
  216    HB2  GLN  30           2HB      GLN  30   0.208  -1.525   6.082
  217    HB3  GLN  30           1HB      GLN  30   1.287  -2.348   4.968
  218    HG2  GLN  30           2HG      GLN  30  -0.520  -3.449   6.976
  219    HG3  GLN  30           1HG      GLN  30  -0.037  -4.101   5.459
  220   HE21  GLN  30          1HE2      GLN  30  -0.234  -5.219   8.236
  221   HE22  GLN  30          2HE2      GLN  30   1.295  -5.982   8.504
  222    H    SER  31           H        SER  31   1.200   0.373   7.305
  223    HA   SER  31           HA       SER  31   2.754   1.739   5.416
  224    HB2  SER  31           2HB      SER  31   1.484   3.749   5.978
  225    HB3  SER  31           1HB      SER  31   0.535   2.392   5.424
  226    HG   SER  31           HG       SER  31  -0.369   3.374   7.261
  227    H    LYS  32           H        LYS  32   2.774   2.031   8.919
  228    HA   LYS  32           HA       LYS  32   4.843   3.974   8.890
  229    HB2  LYS  32           2HB      LYS  32   5.265   3.383  11.214
  230    HB3  LYS  32           1HB      LYS  32   3.538   3.513  10.935
  231    HG2  LYS  32           2HG      LYS  32   3.437   1.032  10.787
  232    HG3  LYS  32           1HG      LYS  32   5.136   0.973  11.247
  233    HD2  LYS  32           2HD      LYS  32   2.855   2.109  12.868
  234    HD3  LYS  32           1HD      LYS  32   3.745   0.622  13.196
  235    HE2  LYS  32           2HE      LYS  32   4.974   3.373  13.155
  236    HE3  LYS  32           1HE      LYS  32   4.424   2.553  14.615
  237    HZ1  LYS  32           3HZ      LYS  32   6.438   1.375  12.786
  238    HZ2  LYS  32           1HZ      LYS  32   6.068   0.904  14.370
  239    HZ3  LYS  32           2HZ      LYS  32   6.861   2.376  14.086
  240    H    LYS  33           H        LYS  33   4.639   0.883   7.820
  241    HA   LYS  33           HA       LYS  33   7.519   0.364   8.140
  242    HB2  LYS  33           2HB      LYS  33   6.978  -1.779   8.406
  243    HB3  LYS  33           1HB      LYS  33   5.288  -1.342   8.291
  244    HG2  LYS  33           2HG      LYS  33   5.662  -3.141   6.803
  245    HG3  LYS  33           1HG      LYS  33   5.454  -1.695   5.816
  246    HD2  LYS  33           2HD      LYS  33   7.933  -1.518   5.717
  247    HD3  LYS  33           1HD      LYS  33   8.033  -3.092   6.503
  248    HE2  LYS  33           2HE      LYS  33   6.994  -4.167   4.666
  249    HE3  LYS  33           1HE      LYS  33   6.503  -2.628   3.957
  250    HZ1  LYS  33           3HZ      LYS  33   9.296  -3.609   4.227
  251    HZ2  LYS  33           1HZ      LYS  33   8.842  -2.102   3.582
  252    HZ3  LYS  33           2HZ      LYS  33   8.399  -3.534   2.795
  253    H    ILE  34           H        ILE  34   5.032   0.388   5.519
  254    HA   ILE  34           HA       ILE  34   7.017   0.295   3.460
  255    HB   ILE  34           HB       ILE  34   5.308   0.604   1.842
  256   HG12  ILE  34          2HG1      ILE  34   3.063   1.148   3.773
  257   HG13  ILE  34          1HG1      ILE  34   4.143   2.466   3.349
  258   HG21  ILE  34          1HG2      ILE  34   3.676  -1.125   2.417
  259   HG22  ILE  34          2HG2      ILE  34   4.213  -1.052   4.096
  260   HG23  ILE  34          3HG2      ILE  34   5.328  -1.576   2.834
  261   HD11  ILE  34          3HD1      ILE  34   2.171   2.379   1.927
  262   HD12  ILE  34          1HD1      ILE  34   2.593   0.739   1.430
  263   HD13  ILE  34          2HD1      ILE  34   3.639   2.090   0.989
  264    H    GLU  35           H        GLU  35   6.034   2.629   5.527
  265    HA   GLU  35           HA       GLU  35   6.080   5.060   4.364
  266    HB2  GLU  35           2HB      GLU  35   6.050   4.498   6.833
  267    HB3  GLU  35           1HB      GLU  35   7.806   4.403   6.744
  268    HG2  GLU  35           2HG      GLU  35   7.559   6.770   5.677
  269    HG3  GLU  35           1HG      GLU  35   6.026   6.735   6.499
  270    H    ASN  36           H        ASN  36   9.052   4.053   5.834
  271    HA   ASN  36           HA       ASN  36  10.852   5.508   4.384
  272    HB2  ASN  36           2HB      ASN  36  11.023   3.075   6.022
  273    HB3  ASN  36           1HB      ASN  36  12.342   3.282   4.876
  274   HD21  ASN  36          1HD2      ASN  36  10.603   5.919   6.426
  275   HD22  ASN  36          2HD2      ASN  36  11.943   6.470   7.372
  276    H    ASP  37           H        ASP  37   9.290   2.578   3.333
  277    HA   ASP  37           HA       ASP  37  11.123   1.891   1.271
  278    HB2  ASP  37           2HB      ASP  37   8.179   1.255   1.626
  279    HB3  ASP  37           1HB      ASP  37   9.163   0.622   0.309
  280    HA   PRO  38           HA       PRO  38   9.693   4.640  -2.005
  281    HB2  PRO  38           2HB      PRO  38  10.052   3.023  -4.162
  282    HB3  PRO  38           1HB      PRO  38  11.389   3.848  -3.352
  283    HG2  PRO  38           2HG      PRO  38  10.475   1.010  -3.089
  284    HG3  PRO  38           1HG      PRO  38  12.125   1.653  -3.181
  285    HD2  PRO  38           2HD      PRO  38  10.960   0.919  -0.840
  286    HD3  PRO  38           1HD      PRO  38  12.163   2.218  -0.949
  287    H    ASP  39           H        ASP  39   8.225   2.006  -0.795
  288    HA   ASP  39           HA       ASP  39   6.219   1.324  -2.677
  289    HB2  ASP  39           2HB      ASP  39   7.036   0.031  -0.610
  290    HB3  ASP  39           1HB      ASP  39   6.024   1.114   0.332
  291    H    PHE  40           H        PHE  40   6.195   3.319   0.270
  292    HA   PHE  40           HA       PHE  40   3.632   4.439   0.081
  293    HB2  PHE  40           2HB      PHE  40   6.114   5.014   1.436
  294    HB3  PHE  40           1HB      PHE  40   5.343   6.498   0.921
  295    HD1  PHE  40           1HD      PHE  40   2.761   4.056   1.742
  296    HD2  PHE  40           2HD      PHE  40   5.627   6.789   3.381
  297    HE1  PHE  40           1HE      PHE  40   1.592   4.048   3.863
  298    HE2  PHE  40           2HE      PHE  40   4.413   6.759   5.502
  299    HZ   PHE  40           HZ       PHE  40   2.439   5.360   5.728
  300    H    TYR  41           H        TYR  41   6.661   5.413  -1.441
  301    HA   TYR  41           HA       TYR  41   5.665   8.017  -2.105
  302    HB2  TYR  41           2HB      TYR  41   8.297   6.654  -2.662
  303    HB3  TYR  41           1HB      TYR  41   7.936   8.310  -3.149
  304    HD1  TYR  41           2HD      TYR  41   7.101   9.883  -1.228
  305    HD2  TYR  41           1HD      TYR  41   9.274   6.283  -0.587
  306    HE1  TYR  41           2HE      TYR  41   7.770  10.691   0.994
  307    HE2  TYR  41           1HE      TYR  41   9.948   7.081   1.641
  308    HH   TYR  41           HH       TYR  41  10.229   9.341   2.784
  309    H    LYS  42           H        LYS  42   4.915   5.245  -3.538
  310    HA   LYS  42           HA       LYS  42   5.221   6.063  -6.276
  311    HB2  LYS  42           2HB      LYS  42   3.526   3.916  -4.994
  312    HB3  LYS  42           1HB      LYS  42   3.596   4.193  -6.731
  313    HG2  LYS  42           2HG      LYS  42   5.881   3.390  -4.941
  314    HG3  LYS  42           1HG      LYS  42   5.075   2.388  -6.150
  315    HD2  LYS  42           2HD      LYS  42   5.896   3.736  -7.931
  316    HD3  LYS  42           1HD      LYS  42   6.477   4.969  -6.811
  317    HE2  LYS  42           2HE      LYS  42   8.076   3.306  -5.897
  318    HE3  LYS  42           1HE      LYS  42   7.547   2.170  -7.139
  319    HZ1  LYS  42           3HZ      LYS  42   8.632   4.853  -7.777
  320    HZ2  LYS  42           1HZ      LYS  42   8.385   3.559  -8.840
  321    HZ3  LYS  42           2HZ      LYS  42   9.612   3.476  -7.669
  322    H    ILE  43           H        ILE  43   2.958   6.526  -3.716
  323    HA   ILE  43           HA       ILE  43   1.448   8.354  -5.458
  324    HB   ILE  43           HB       ILE  43   0.319   6.675  -3.206
  325   HG12  ILE  43          2HG1      ILE  43  -0.291   6.670  -6.172
  326   HG13  ILE  43          1HG1      ILE  43   0.649   5.448  -5.322
  327   HG21  ILE  43          1HG2      ILE  43  -0.670   8.896  -3.196
  328   HG22  ILE  43          2HG2      ILE  43  -1.842   7.703  -3.757
  329   HG23  ILE  43          3HG2      ILE  43  -1.036   8.759  -4.915
  330   HD11  ILE  43          3HD1      ILE  43  -2.255   6.081  -4.858
  331   HD12  ILE  43          1HD1      ILE  43  -1.315   4.857  -4.005
  332   HD13  ILE  43          2HD1      ILE  43  -1.616   4.690  -5.735
  333    H    ARG  44           H        ARG  44   1.500  10.398  -4.770
  334    HA   ARG  44           HA       ARG  44   3.035  11.171  -2.531
  335    HB2  ARG  44           2HB      ARG  44   2.264  13.461  -3.054
  336    HB3  ARG  44           1HB      ARG  44   2.820  12.607  -4.488
  337    HG2  ARG  44           2HG      ARG  44   0.625  12.276  -5.270
  338    HG3  ARG  44           1HG      ARG  44  -0.076  12.728  -3.718
  339    HD2  ARG  44           2HD      ARG  44   0.832  15.026  -4.065
  340    HD3  ARG  44           1HD      ARG  44   1.313  14.526  -5.691
  341    HE   ARG  44           HE       ARG  44  -1.485  14.145  -4.940
  342   HH11  ARG  44          1HH1      ARG  44   0.899  16.128  -6.603
  343   HH12  ARG  44          2HH1      ARG  44  -0.269  16.833  -7.688
  344   HH21  ARG  44          1HH2      ARG  44  -3.010  15.100  -6.359
  345   HH22  ARG  44          2HH2      ARG  44  -2.483  16.258  -7.540
  346    H    ASP  45           H        ASP  45  -0.453  10.976  -3.059
  347    HA   ASP  45           HA       ASP  45  -1.083  12.278  -0.590
  348    HB2  ASP  45           2HB      ASP  45  -2.774  10.844  -2.635
  349    HB3  ASP  45           1HB      ASP  45  -3.443  11.564  -1.174
  350    H    ASP  46           H        ASP  46  -0.609  11.294   1.223
  351    HA   ASP  46           HA       ASP  46  -0.534   8.482   1.612
  352    HB2  ASP  46           2HB      ASP  46   0.750  10.172   2.947
  353    HB3  ASP  46           1HB      ASP  46  -0.759  10.650   3.716
  354    H    THR  47           H        THR  47  -3.035  10.839   1.788
  355    HA   THR  47           HA       THR  47  -4.835   9.365   3.439
  356    HB   THR  47           HB       THR  47  -5.062  11.783   3.237
  357    HG1  THR  47           1HG      THR  47  -7.149  10.074   2.484
  358   HG21  THR  47          3HG2      THR  47  -5.770  11.262   0.346
  359   HG22  THR  47          1HG2      THR  47  -4.307  12.055   0.928
  360   HG23  THR  47          2HG2      THR  47  -5.879  12.818   1.169
  361    H    VAL  48           H        VAL  48  -3.764   8.860   0.315
  362    HA   VAL  48           HA       VAL  48  -6.216   7.435  -0.452
  363    HB   VAL  48           HB       VAL  48  -3.785   8.083  -2.138
  364   HG11  VAL  48          1HG1      VAL  48  -5.155   7.363  -4.036
  365   HG12  VAL  48          2HG1      VAL  48  -6.446   6.903  -2.926
  366   HG13  VAL  48          3HG1      VAL  48  -4.900   6.051  -2.885
  367   HG21  VAL  48          3HG2      VAL  48  -5.239   9.700  -3.268
  368   HG22  VAL  48          1HG2      VAL  48  -5.031  10.091  -1.560
  369   HG23  VAL  48          2HG2      VAL  48  -6.526   9.340  -2.119
  370    H    ARG  49           H        ARG  49  -2.925   7.083   0.497
  371    HA   ARG  49           HA       ARG  49  -2.235   4.583  -0.528
  372    HB2  ARG  49           2HB      ARG  49  -1.401   5.904   2.053
  373    HB3  ARG  49           1HB      ARG  49  -0.614   4.517   1.395
  374    HG2  ARG  49           2HG      ARG  49   0.018   5.798  -0.582
  375    HG3  ARG  49           1HG      ARG  49  -0.788   7.209   0.105
  376    HD2  ARG  49           2HD      ARG  49   0.725   7.105   2.044
  377    HD3  ARG  49           1HD      ARG  49   1.548   5.737   1.304
  378    HE   ARG  49           HE       ARG  49   1.874   7.499  -0.611
  379   HH11  ARG  49          1HH1      ARG  49   2.072   8.042   2.852
  380   HH12  ARG  49          2HH1      ARG  49   3.288   9.275   2.703
  381   HH21  ARG  49          1HH2      ARG  49   3.446   9.115  -0.801
  382   HH22  ARG  49          2HH2      ARG  49   4.066   9.895   0.618
  383    H    GLU  50           H        GLU  50  -3.741   5.304   2.654
  384    HA   GLU  50           HA       GLU  50  -3.970   2.465   3.057
  385    HB2  GLU  50           2HB      GLU  50  -5.433   3.410   4.989
  386    HB3  GLU  50           1HB      GLU  50  -3.771   3.133   5.119
  387    HG2  GLU  50           2HG      GLU  50  -4.458   5.074   6.019
  388    HG3  GLU  50           1HG      GLU  50  -3.270   5.365   4.904
  389    H    SER  51           H        SER  51  -5.955   4.788   1.650
  390    HA   SER  51           HA       SER  51  -8.254   3.091   1.703
  391    HB2  SER  51           2HB      SER  51  -7.420   5.082  -0.430
  392    HB3  SER  51           1HB      SER  51  -9.014   4.337  -0.308
  393    HG   SER  51           HG       SER  51  -7.956   5.703   1.910
  394    H    LEU  52           H        LEU  52  -5.256   2.564   0.482
  395    HA   LEU  52           HA       LEU  52  -5.882   1.233  -1.867
  396    HB2  LEU  52           2HB      LEU  52  -3.387   1.378  -0.346
  397    HB3  LEU  52           1HB      LEU  52  -3.464   0.720  -1.917
  398    HG   LEU  52           HG       LEU  52  -3.893   3.575  -1.126
  399   HD11  LEU  52          1HD1      LEU  52  -1.640   2.960  -1.697
  400   HD12  LEU  52          2HD1      LEU  52  -2.321   4.065  -2.892
  401   HD13  LEU  52          3HD1      LEU  52  -2.188   2.343  -3.256
  402   HD21  LEU  52          3HD2      LEU  52  -4.665   4.088  -3.382
  403   HD22  LEU  52          1HD2      LEU  52  -5.783   3.027  -2.528
  404   HD23  LEU  52          2HD2      LEU  52  -4.706   2.365  -3.758
  405    H    PHE  53           H        PHE  53  -5.016   0.413   0.987
  406    HA   PHE  53           HA       PHE  53  -4.244  -2.212   0.458
  407    HB2  PHE  53           2HB      PHE  53  -3.130  -1.278   2.092
  408    HB3  PHE  53           1HB      PHE  53  -4.153   0.148   1.689
  409    HD1  PHE  53           1HD      PHE  53  -5.768   0.812   3.193
  410    HD2  PHE  53           2HD      PHE  53  -3.616  -2.708   4.058
  411    HE1  PHE  53           1HE      PHE  53  -6.699   0.821   5.492
  412    HE2  PHE  53           2HE      PHE  53  -4.518  -2.738   6.353
  413    HZ   PHE  53           HZ       PHE  53  -6.071  -0.962   7.074
  414    H    GLU  54           H        GLU  54  -6.888  -0.464   1.907
  415    HA   GLU  54           HA       GLU  54  -8.460  -2.489   3.010
  416    HB2  GLU  54           2HB      GLU  54  -9.955  -0.589   1.302
  417    HB3  GLU  54           1HB      GLU  54 -10.225  -1.039   2.977
  418    HG2  GLU  54           2HG      GLU  54  -8.370   0.408   3.644
  419    HG3  GLU  54           1HG      GLU  54  -8.158   0.870   1.951
  420    H    GLU  55           H        GLU  55  -8.217  -1.437  -0.373
  421    HA   GLU  55           HA       GLU  55 -10.315  -3.217  -1.186
  422    HB2  GLU  55           2HB      GLU  55  -8.331  -1.632  -2.821
  423    HB3  GLU  55           1HB      GLU  55  -9.712  -2.501  -3.484
  424    HG2  GLU  55           2HG      GLU  55  -9.814  -0.194  -1.553
  425    HG3  GLU  55           1HG      GLU  55 -10.202  -0.141  -3.272
  426    H    TRP  56           H        TRP  56  -6.782  -3.226  -1.724
  427    HA   TRP  56           HA       TRP  56  -6.673  -5.542  -3.249
  428    HB2  TRP  56           2HB      TRP  56  -4.824  -4.197  -3.278
  429    HB3  TRP  56           1HB      TRP  56  -4.713  -4.193  -1.539
  430    HD1  TRP  56           HD       TRP  56  -3.969  -6.753  -4.201
  431    HE1  TRP  56           1HE      TRP  56  -2.242  -8.432  -3.287
  432    HE3  TRP  56           3HE      TRP  56  -3.450  -4.315  -0.598
  433    HZ2  TRP  56           2HZ      TRP  56  -0.559  -8.234  -0.889
  434    HZ3  TRP  56           3HZ      TRP  56  -1.756  -4.660   0.539
  435    HH2  TRP  56           HH       TRP  56  -0.299  -6.577   0.821
  436    H    CYS  57           H        CYS  57  -7.163  -5.077  -0.011
  437    HA   CYS  57           HA       CYS  57  -5.998  -7.376   1.200
  438    HB2  CYS  57           2HB      CYS  57  -6.433  -5.352   2.488
  439    HB3  CYS  57           1HB      CYS  57  -8.163  -5.510   2.200
  440    HG   CYS  57           HG       CYS  57  -7.724  -8.269   3.492
  441    H    GLY  58           H        GLY  58  -9.342  -6.444   0.446
  442    HA2  GLY  58           2HA      GLY  58 -10.109  -9.295   0.660
  443    HA3  GLY  58           1HA      GLY  58 -11.196  -7.953   1.024
  444    H    GLU  59           H        GLU  59  -8.903  -8.420  -1.583
  445    HA   GLU  59           HA       GLU  59 -10.953  -7.433  -3.390
  446    HB2  GLU  59           2HB      GLU  59  -8.541  -6.436  -3.076
  447    HB3  GLU  59           1HB      GLU  59  -8.069  -7.810  -4.118
  448    HG2  GLU  59           2HG      GLU  59  -9.683  -7.106  -5.831
  449    HG3  GLU  59           1HG      GLU  59 -10.116  -5.720  -4.837