HEADER TOXIN 21-AUG-11 SMS21015 TITLE SOLUTION STRUCTURE OF CONOTOXIN PU14A COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-CONOTOXIN PU14.1; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: PU14A; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: CONUS PULICARIUS; SOURCE 4 ORGANISM_COMMON: FLEA-BITE CONE; SOURCE 5 ORGANISM_TAXID: 93154 KEYWDS PU14A, TOXIN EXPDTA SOLUTION NMR NUMMDL 20 AUTHOR B.ZHANG,F.HUANG,W.DU JRNL AUTH B.ZHANG,F.HUANG,W.DU JRNL TITL SOLUTION STRUCTURE OF A NOVEL CONOTOXIN WITH A DISTINCTIVE JRNL TITL 2 LOOP SPACING PATTERN JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CYANA 2.1 REMARK 3 AUTHORS : GUNTERT, MUMENTHALER AND WUTHRICH REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 17-OCT-11. REMARK 100 THE BMRB ID CODE IS SMS21015. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 283 REMARK 210 PH : 3.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 4 MM CONOTOXIN PU14A, 0.01 % REMARK 210 TFA, 90% H2O/10% D2O; 4 MM REMARK 210 CONOTOXIN PU14A, 0.01 % TFA, 100% REMARK 210 D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY; 2D 1H-1H TOCSY; 2D REMARK 210 1H-1H NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN 2.1, CYANA 2.1, SPARKY REMARK 210 3.114 REMARK 210 METHOD USED : DISTANCE GEOMETRY, TORSION ANGLE REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 20 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 1 CYS A 2 153.76 64.49 REMARK 500 1 VAL A 7 76.58 -112.80 REMARK 500 1 MET A 10 -74.84 -54.39 REMARK 500 1 CYS A 13 35.21 -93.71 REMARK 500 1 LEU A 16 62.84 -155.34 REMARK 500 1 THR A 18 31.60 -80.94 REMARK 500 2 VAL A 7 76.97 -112.75 REMARK 500 2 MET A 10 -74.95 -54.74 REMARK 500 2 CYS A 13 35.08 -93.78 REMARK 500 2 LEU A 16 62.88 -155.36 REMARK 500 2 THR A 18 31.53 -80.97 REMARK 500 3 VAL A 7 76.68 -112.80 REMARK 500 3 MET A 10 -75.11 -52.00 REMARK 500 3 CYS A 13 35.08 -93.73 REMARK 500 3 LEU A 16 62.95 -155.18 REMARK 500 3 THR A 18 31.61 -81.04 REMARK 500 4 PRO A 6 -170.88 -69.73 REMARK 500 4 VAL A 7 77.38 51.01 REMARK 500 4 PRO A 8 -171.02 -69.79 REMARK 500 4 MET A 10 -74.77 -54.53 REMARK 500 4 CYS A 13 34.97 -93.84 REMARK 500 4 LEU A 16 62.77 -155.29 REMARK 500 4 THR A 18 31.53 -80.88 REMARK 500 5 PRO A 6 -170.89 -69.77 REMARK 500 5 VAL A 7 77.46 51.08 REMARK 500 5 PRO A 8 -170.98 -69.78 REMARK 500 5 MET A 10 -74.76 -55.30 REMARK 500 5 CYS A 13 35.02 -93.78 REMARK 500 5 LEU A 16 62.81 -155.37 REMARK 500 5 THR A 18 31.64 -80.96 REMARK 500 6 VAL A 7 76.80 -112.75 REMARK 500 6 HIS A 11 82.35 51.91 REMARK 500 6 CYS A 13 34.99 -93.84 REMARK 500 6 LEU A 16 62.81 -155.26 REMARK 500 6 THR A 18 31.60 -80.88 REMARK 500 7 CYS A 2 153.95 64.36 REMARK 500 7 PRO A 6 -170.84 -69.86 REMARK 500 7 VAL A 7 77.48 51.00 REMARK 500 7 PRO A 8 -170.88 -69.78 REMARK 500 7 MET A 10 -74.78 -53.39 REMARK 500 7 CYS A 13 35.14 -93.72 REMARK 500 7 LEU A 16 62.77 -155.34 REMARK 500 7 THR A 18 31.53 -80.87 REMARK 500 8 CYS A 2 153.92 64.40 REMARK 500 8 PRO A 6 -170.87 -69.80 REMARK 500 8 VAL A 7 77.58 50.97 REMARK 500 8 PRO A 8 -170.96 -69.81 REMARK 500 8 MET A 10 -74.71 -54.56 REMARK 500 8 CYS A 13 35.03 -93.85 REMARK 500 8 LEU A 16 62.80 -155.33 REMARK 500 REMARK 500 THIS ENTRY HAS 124 RAMACHANDRAN OUTLIERS. REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: SMS21014 RELATED DB: BMRB DBREF A 1 19 UNP C6ZJQ2 CA141_CONPL 50 68 SEQRES 1 A 19 ASP CYS PRO PRO HIS PRO VAL PRO GLY MET HIS LYS CYS SEQRES 2 A 19 VAL CYS LEU LYS THR CYS HELIX 1 1 CYS A 13 LYS A 17 5 5 SSBOND 1 CYS A 2 CYS A 15 1555 1555 1.98 SSBOND 2 CYS A 13 CYS A 19 1555 1555 1.97 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N ASP A 1 1.328 0.000 0.000 1.00 4.00 N ATOM 2 CA ASP A 1 2.093 -0.001 -1.242 1.00 0.02 C ATOM 3 C ASP A 1 2.148 1.398 -1.847 1.00 52.13 C ATOM 4 O ASP A 1 3.205 1.857 -2.281 1.00 53.52 O ATOM 5 CB ASP A 1 1.478 -0.980 -2.243 1.00 43.04 C ATOM 6 CG ASP A 1 -0.037 -0.989 -2.188 1.00 63.45 C ATOM 7 OD1 ASP A 1 -0.596 -1.720 -1.343 1.00 44.24 O ATOM 8 OD2 ASP A 1 -0.663 -0.266 -2.990 1.00 15.30 O ATOM 9 H1 ASP A 1 1.806 0.000 0.856 1.00 64.11 H ATOM 10 HA ASP A 1 3.098 -0.320 -1.012 1.00 5.41 H ATOM 11 HB2 ASP A 1 1.782 -0.701 -3.242 1.00 71.21 H ATOM 12 HB3 ASP A 1 1.835 -1.976 -2.028 1.00 70.40 H ATOM 13 N CYS A 2 1.002 2.071 -1.875 1.00 22.25 N ATOM 14 CA CYS A 2 0.918 3.417 -2.428 1.00 61.20 C ATOM 15 C CYS A 2 1.226 3.411 -3.923 1.00 25.35 C ATOM 16 O CYS A 2 1.937 2.543 -4.432 1.00 13.43 O ATOM 17 CB CYS A 2 1.886 4.352 -1.700 1.00 64.52 C ATOM 18 SG CYS A 2 1.870 4.174 0.113 1.00 55.33 S ATOM 19 H CYS A 2 0.192 1.651 -1.513 1.00 43.34 H ATOM 20 HA CYS A 2 -0.090 3.773 -2.283 1.00 12.24 H ATOM 21 HB2 CYS A 2 2.892 4.151 -2.040 1.00 22.42 H ATOM 22 HB3 CYS A 2 1.631 5.375 -1.934 1.00 20.44 H ATOM 23 N PRO A 3 0.680 4.401 -4.643 1.00 44.33 N ATOM 24 CA PRO A 3 0.883 4.533 -6.089 1.00 44.01 C ATOM 25 C PRO A 3 2.312 4.933 -6.440 1.00 4.53 C ATOM 26 O PRO A 3 3.097 5.340 -5.582 1.00 70.33 O ATOM 27 CB PRO A 3 -0.095 5.642 -6.485 1.00 70.41 C ATOM 28 CG PRO A 3 -0.282 6.443 -5.243 1.00 52.03 C ATOM 29 CD PRO A 3 -0.177 5.469 -4.102 1.00 42.43 C ATOM 30 HA PRO A 3 0.628 3.622 -6.610 1.00 71.03 H ATOM 31 HB2 PRO A 3 0.333 6.237 -7.280 1.00 25.55 H ATOM 32 HB3 PRO A 3 -1.025 5.205 -6.817 1.00 21.44 H ATOM 33 HG2 PRO A 3 0.491 7.192 -5.170 1.00 2.33 H ATOM 34 HG3 PRO A 3 -1.257 6.908 -5.250 1.00 72.52 H ATOM 35 HD2 PRO A 3 0.286 5.939 -3.247 1.00 13.11 H ATOM 36 HD3 PRO A 3 -1.152 5.085 -3.843 1.00 14.44 H ATOM 37 N PRO A 4 2.661 4.818 -7.730 1.00 34.21 N ATOM 38 CA PRO A 4 3.997 5.164 -8.223 1.00 52.03 C ATOM 39 C PRO A 4 4.257 6.666 -8.186 1.00 42.02 C ATOM 40 O PRO A 4 5.296 7.114 -7.699 1.00 55.50 O ATOM 41 CB PRO A 4 3.983 4.659 -9.668 1.00 43.13 C ATOM 42 CG PRO A 4 2.545 4.664 -10.058 1.00 23.34 C ATOM 43 CD PRO A 4 1.776 4.340 -8.806 1.00 45.54 C ATOM 44 HA PRO A 4 4.770 4.652 -7.669 1.00 15.15 H ATOM 45 HB2 PRO A 4 4.564 5.325 -10.290 1.00 41.55 H ATOM 46 HB3 PRO A 4 4.400 3.664 -9.710 1.00 1.13 H ATOM 47 HG2 PRO A 4 2.268 5.639 -10.427 1.00 11.22 H ATOM 48 HG3 PRO A 4 2.367 3.911 -10.811 1.00 41.04 H ATOM 49 HD2 PRO A 4 0.835 4.869 -8.795 1.00 12.11 H ATOM 50 HD3 PRO A 4 1.614 3.276 -8.728 1.00 25.54 H ATOM 51 N HIS A 5 3.308 7.440 -8.704 1.00 20.53 N ATOM 52 CA HIS A 5 3.435 8.892 -8.729 1.00 11.45 C ATOM 53 C HIS A 5 2.376 9.545 -7.845 1.00 3.42 C ATOM 54 O HIS A 5 1.327 8.967 -7.560 1.00 64.13 O ATOM 55 CB HIS A 5 3.311 9.412 -10.161 1.00 60.12 C ATOM 56 CG HIS A 5 2.208 8.764 -10.940 1.00 12.01 C ATOM 57 ND1 HIS A 5 0.877 9.077 -10.762 1.00 52.45 N ATOM 58 CD2 HIS A 5 2.244 7.816 -11.906 1.00 1.25 C ATOM 59 CE1 HIS A 5 0.142 8.349 -11.584 1.00 10.11 C ATOM 60 NE2 HIS A 5 0.948 7.576 -12.289 1.00 73.30 N ATOM 61 H HIS A 5 2.503 7.023 -9.077 1.00 45.40 H ATOM 62 HA HIS A 5 4.412 9.147 -8.346 1.00 33.40 H ATOM 63 HB2 HIS A 5 3.119 10.474 -10.136 1.00 42.44 H ATOM 64 HB3 HIS A 5 4.239 9.230 -10.685 1.00 12.43 H ATOM 65 HD1 HIS A 5 0.523 9.734 -10.128 1.00 4.53 H ATOM 66 HD2 HIS A 5 3.129 7.337 -12.301 1.00 74.34 H ATOM 67 HE1 HIS A 5 -0.934 8.381 -11.666 1.00 71.50 H ATOM 68 N PRO A 6 2.656 10.779 -7.399 1.00 11.11 N ATOM 69 CA PRO A 6 1.740 11.537 -6.541 1.00 3.01 C ATOM 70 C PRO A 6 0.486 11.984 -7.284 1.00 32.33 C ATOM 71 O PRO A 6 0.566 12.544 -8.377 1.00 12.11 O ATOM 72 CB PRO A 6 2.572 12.751 -6.119 1.00 24.51 C ATOM 73 CG PRO A 6 3.579 12.916 -7.205 1.00 32.12 C ATOM 74 CD PRO A 6 3.887 11.529 -7.698 1.00 40.44 C ATOM 75 HA PRO A 6 1.457 10.971 -5.666 1.00 33.03 H ATOM 76 HB2 PRO A 6 1.933 13.618 -6.037 1.00 35.14 H ATOM 77 HB3 PRO A 6 3.046 12.554 -5.169 1.00 11.13 H ATOM 78 HG2 PRO A 6 3.164 13.514 -8.002 1.00 2.22 H ATOM 79 HG3 PRO A 6 4.471 13.380 -6.810 1.00 72.25 H ATOM 80 HD2 PRO A 6 4.082 11.542 -8.760 1.00 65.44 H ATOM 81 HD3 PRO A 6 4.729 11.117 -7.163 1.00 21.44 H ATOM 82 N VAL A 7 -0.673 11.732 -6.683 1.00 52.31 N ATOM 83 CA VAL A 7 -1.945 12.110 -7.287 1.00 52.24 C ATOM 84 C VAL A 7 -2.634 13.205 -6.480 1.00 25.22 C ATOM 85 O VAL A 7 -3.585 12.959 -5.739 1.00 33.54 O ATOM 86 CB VAL A 7 -2.892 10.901 -7.404 1.00 52.12 C ATOM 87 CG1 VAL A 7 -4.210 11.314 -8.042 1.00 43.32 C ATOM 88 CG2 VAL A 7 -2.233 9.784 -8.198 1.00 71.54 C ATOM 89 H VAL A 7 -0.673 11.283 -5.812 1.00 64.34 H ATOM 90 HA VAL A 7 -1.745 12.482 -8.282 1.00 31.41 H ATOM 91 HB VAL A 7 -3.099 10.534 -6.410 1.00 21.13 H ATOM 92 HG11 VAL A 7 -5.018 11.127 -7.351 1.00 33.11 H ATOM 93 HG12 VAL A 7 -4.178 12.366 -8.285 1.00 52.30 H ATOM 94 HG13 VAL A 7 -4.368 10.741 -8.944 1.00 31.01 H ATOM 95 HG21 VAL A 7 -1.572 10.209 -8.938 1.00 64.33 H ATOM 96 HG22 VAL A 7 -1.668 9.153 -7.529 1.00 65.51 H ATOM 97 HG23 VAL A 7 -2.993 9.195 -8.691 1.00 73.24 H ATOM 98 N PRO A 8 -2.143 14.445 -6.625 1.00 61.41 N ATOM 99 CA PRO A 8 -2.697 15.603 -5.918 1.00 4.12 C ATOM 100 C PRO A 8 -4.082 15.986 -6.428 1.00 23.13 C ATOM 101 O PRO A 8 -4.380 15.841 -7.612 1.00 62.44 O ATOM 102 CB PRO A 8 -1.690 16.716 -6.218 1.00 2.31 C ATOM 103 CG PRO A 8 -1.052 16.314 -7.503 1.00 11.22 C ATOM 104 CD PRO A 8 -1.010 14.811 -7.492 1.00 11.13 C ATOM 105 HA PRO A 8 -2.741 15.433 -4.852 1.00 1.10 H ATOM 106 HB2 PRO A 8 -2.210 17.659 -6.312 1.00 4.51 H ATOM 107 HB3 PRO A 8 -0.965 16.776 -5.420 1.00 13.33 H ATOM 108 HG2 PRO A 8 -1.645 16.667 -8.333 1.00 61.31 H ATOM 109 HG3 PRO A 8 -0.051 16.716 -7.557 1.00 52.31 H ATOM 110 HD2 PRO A 8 -1.147 14.422 -8.490 1.00 4.41 H ATOM 111 HD3 PRO A 8 -0.077 14.463 -7.073 1.00 72.13 H ATOM 112 N GLY A 9 -4.925 16.477 -5.525 1.00 33.45 N ATOM 113 CA GLY A 9 -6.269 16.873 -5.903 1.00 11.02 C ATOM 114 C GLY A 9 -7.313 16.408 -4.907 1.00 2.23 C ATOM 115 O GLY A 9 -7.426 16.961 -3.813 1.00 53.33 O ATOM 116 H GLY A 9 -4.633 16.570 -4.594 1.00 3.03 H ATOM 117 HA2 GLY A 9 -6.308 17.950 -5.974 1.00 34.31 H ATOM 118 HA3 GLY A 9 -6.498 16.450 -6.870 1.00 21.20 H ATOM 119 N MET A 10 -8.078 15.390 -5.286 1.00 31.03 N ATOM 120 CA MET A 10 -9.118 14.852 -4.417 1.00 34.30 C ATOM 121 C MET A 10 -8.545 14.466 -3.057 1.00 72.41 C ATOM 122 O MET A 10 -8.754 15.163 -2.064 1.00 22.23 O ATOM 123 CB MET A 10 -9.779 13.635 -5.069 1.00 45.32 C ATOM 124 CG MET A 10 -11.025 13.976 -5.869 1.00 15.52 C ATOM 125 SD MET A 10 -12.441 12.954 -5.419 1.00 23.15 S ATOM 126 CE MET A 10 -13.351 12.938 -6.961 1.00 31.31 C ATOM 127 H MET A 10 -7.940 14.990 -6.170 1.00 11.12 H ATOM 128 HA MET A 10 -9.863 15.621 -4.276 1.00 5.14 H ATOM 129 HB2 MET A 10 -9.067 13.168 -5.734 1.00 35.11 H ATOM 130 HB3 MET A 10 -10.054 12.932 -4.297 1.00 42.32 H ATOM 131 HG2 MET A 10 -11.278 15.012 -5.693 1.00 61.45 H ATOM 132 HG3 MET A 10 -10.814 13.833 -6.918 1.00 24.30 H ATOM 133 HE1 MET A 10 -13.321 13.922 -7.406 1.00 71.55 H ATOM 134 HE2 MET A 10 -12.904 12.223 -7.636 1.00 3.13 H ATOM 135 HE3 MET A 10 -14.377 12.659 -6.770 1.00 41.50 H ATOM 136 N HIS A 11 -7.822 13.351 -3.019 1.00 74.45 N ATOM 137 CA HIS A 11 -7.219 12.872 -1.781 1.00 2.33 C ATOM 138 C HIS A 11 -5.886 12.182 -2.057 1.00 12.43 C ATOM 139 O HIS A 11 -5.835 10.971 -2.271 1.00 5.04 O ATOM 140 CB HIS A 11 -8.167 11.909 -1.066 1.00 4.04 C ATOM 141 CG HIS A 11 -9.579 12.403 -0.991 1.00 64.23 C ATOM 142 ND1 HIS A 11 -9.986 13.390 -0.119 1.00 43.20 N ATOM 143 CD2 HIS A 11 -10.681 12.041 -1.688 1.00 61.15 C ATOM 144 CE1 HIS A 11 -11.278 13.613 -0.282 1.00 24.04 C ATOM 145 NE2 HIS A 11 -11.723 12.807 -1.229 1.00 14.34 N ATOM 146 H HIS A 11 -7.692 12.838 -3.844 1.00 64.01 H ATOM 147 HA HIS A 11 -7.042 13.727 -1.146 1.00 54.41 H ATOM 148 HB2 HIS A 11 -8.173 10.965 -1.590 1.00 50.03 H ATOM 149 HB3 HIS A 11 -7.816 11.752 -0.056 1.00 25.12 H ATOM 150 HD1 HIS A 11 -9.413 13.857 0.525 1.00 72.34 H ATOM 151 HD2 HIS A 11 -10.732 11.288 -2.463 1.00 11.31 H ATOM 152 HE1 HIS A 11 -11.869 14.332 0.266 1.00 72.54 H ATOM 153 N LYS A 12 -4.810 12.961 -2.051 1.00 41.53 N ATOM 154 CA LYS A 12 -3.476 12.427 -2.300 1.00 75.24 C ATOM 155 C LYS A 12 -3.031 11.521 -1.157 1.00 32.12 C ATOM 156 O LYS A 12 -2.046 10.792 -1.276 1.00 72.33 O ATOM 157 CB LYS A 12 -2.473 13.568 -2.482 1.00 22.32 C ATOM 158 CG LYS A 12 -1.098 13.103 -2.929 1.00 24.45 C ATOM 159 CD LYS A 12 -0.105 13.112 -1.778 1.00 61.31 C ATOM 160 CE LYS A 12 1.258 12.595 -2.213 1.00 74.45 C ATOM 161 NZ LYS A 12 2.356 13.152 -1.377 1.00 12.25 N ATOM 162 H LYS A 12 -4.915 13.920 -1.874 1.00 50.34 H ATOM 163 HA LYS A 12 -3.516 11.846 -3.209 1.00 74.22 H ATOM 164 HB2 LYS A 12 -2.856 14.254 -3.223 1.00 31.15 H ATOM 165 HB3 LYS A 12 -2.365 14.089 -1.542 1.00 14.43 H ATOM 166 HG2 LYS A 12 -1.175 12.097 -3.315 1.00 12.22 H ATOM 167 HG3 LYS A 12 -0.740 13.762 -3.706 1.00 44.42 H ATOM 168 HD2 LYS A 12 0.005 14.123 -1.417 1.00 4.31 H ATOM 169 HD3 LYS A 12 -0.482 12.483 -0.984 1.00 31.02 H ATOM 170 HE2 LYS A 12 1.263 11.519 -2.130 1.00 24.35 H ATOM 171 HE3 LYS A 12 1.422 12.876 -3.243 1.00 45.11 H ATOM 172 HZ1 LYS A 12 3.009 13.706 -1.966 1.00 52.43 H ATOM 173 HZ2 LYS A 12 2.885 12.381 -0.922 1.00 64.33 H ATOM 174 HZ3 LYS A 12 1.964 13.770 -0.638 1.00 34.24 H ATOM 175 N CYS A 13 -3.763 11.571 -0.049 1.00 33.10 N ATOM 176 CA CYS A 13 -3.445 10.754 1.116 1.00 10.41 C ATOM 177 C CYS A 13 -4.229 9.446 1.094 1.00 73.41 C ATOM 178 O CYS A 13 -4.635 8.934 2.138 1.00 51.53 O ATOM 179 CB CYS A 13 -3.751 11.523 2.403 1.00 52.41 C ATOM 180 SG CYS A 13 -2.544 12.831 2.793 1.00 22.40 S ATOM 181 H CYS A 13 -4.537 12.172 -0.014 1.00 14.42 H ATOM 182 HA CYS A 13 -2.390 10.528 1.085 1.00 52.13 H ATOM 183 HB2 CYS A 13 -4.721 11.990 2.312 1.00 13.00 H ATOM 184 HB3 CYS A 13 -3.767 10.831 3.232 1.00 43.33 H ATOM 185 N VAL A 14 -4.439 8.908 -0.104 1.00 1.03 N ATOM 186 CA VAL A 14 -5.173 7.658 -0.263 1.00 10.42 C ATOM 187 C VAL A 14 -4.467 6.511 0.451 1.00 43.40 C ATOM 188 O VAL A 14 -5.101 5.704 1.131 1.00 41.11 O ATOM 189 CB VAL A 14 -5.346 7.295 -1.749 1.00 71.44 C ATOM 190 CG1 VAL A 14 -3.998 7.270 -2.454 1.00 31.13 C ATOM 191 CG2 VAL A 14 -6.055 5.956 -1.891 1.00 14.31 C ATOM 192 H VAL A 14 -4.091 9.362 -0.899 1.00 42.41 H ATOM 193 HA VAL A 14 -6.154 7.790 0.171 1.00 61.25 H ATOM 194 HB VAL A 14 -5.957 8.053 -2.216 1.00 52.11 H ATOM 195 HG11 VAL A 14 -4.117 7.616 -3.470 1.00 1.51 H ATOM 196 HG12 VAL A 14 -3.306 7.914 -1.931 1.00 34.03 H ATOM 197 HG13 VAL A 14 -3.615 6.260 -2.461 1.00 43.13 H ATOM 198 HG21 VAL A 14 -5.468 5.185 -1.415 1.00 52.10 H ATOM 199 HG22 VAL A 14 -7.026 6.013 -1.421 1.00 23.44 H ATOM 200 HG23 VAL A 14 -6.176 5.721 -2.939 1.00 14.34 H ATOM 201 N CYS A 15 -3.149 6.445 0.292 1.00 10.14 N ATOM 202 CA CYS A 15 -2.354 5.397 0.921 1.00 14.13 C ATOM 203 C CYS A 15 -2.281 5.602 2.432 1.00 52.23 C ATOM 204 O CYS A 15 -1.777 4.748 3.162 1.00 70.22 O ATOM 205 CB CYS A 15 -0.944 5.373 0.330 1.00 44.52 C ATOM 206 SG CYS A 15 0.036 3.912 0.802 1.00 61.24 S ATOM 207 H CYS A 15 -2.699 7.118 -0.262 1.00 34.10 H ATOM 208 HA CYS A 15 -2.835 4.451 0.722 1.00 43.32 H ATOM 209 HB2 CYS A 15 -1.013 5.387 -0.748 1.00 53.22 H ATOM 210 HB3 CYS A 15 -0.408 6.250 0.662 1.00 44.32 H ATOM 211 N LEU A 16 -2.788 6.740 2.894 1.00 43.14 N ATOM 212 CA LEU A 16 -2.781 7.058 4.317 1.00 2.52 C ATOM 213 C LEU A 16 -3.893 8.044 4.660 1.00 11.32 C ATOM 214 O LEU A 16 -3.632 9.163 5.104 1.00 64.34 O ATOM 215 CB LEU A 16 -1.425 7.640 4.723 1.00 34.23 C ATOM 216 CG LEU A 16 -1.009 8.930 4.016 1.00 15.22 C ATOM 217 CD1 LEU A 16 -0.214 9.822 4.957 1.00 73.00 C ATOM 218 CD2 LEU A 16 -0.201 8.616 2.765 1.00 14.45 C ATOM 219 H LEU A 16 -3.176 7.382 2.263 1.00 21.24 H ATOM 220 HA LEU A 16 -2.948 6.142 4.862 1.00 31.45 H ATOM 221 HB2 LEU A 16 -1.455 7.839 5.783 1.00 33.14 H ATOM 222 HB3 LEU A 16 -0.672 6.892 4.520 1.00 3.22 H ATOM 223 HG LEU A 16 -1.897 9.470 3.715 1.00 4.44 H ATOM 224 HD11 LEU A 16 0.585 9.251 5.405 1.00 74.21 H ATOM 225 HD12 LEU A 16 -0.865 10.199 5.732 1.00 55.24 H ATOM 226 HD13 LEU A 16 0.202 10.650 4.402 1.00 54.20 H ATOM 227 HD21 LEU A 16 0.488 7.812 2.975 1.00 73.23 H ATOM 228 HD22 LEU A 16 0.351 9.495 2.464 1.00 34.55 H ATOM 229 HD23 LEU A 16 -0.870 8.321 1.970 1.00 40.34 H ATOM 230 N LYS A 17 -5.136 7.621 4.454 1.00 43.41 N ATOM 231 CA LYS A 17 -6.289 8.464 4.744 1.00 14.41 C ATOM 232 C LYS A 17 -6.151 9.124 6.113 1.00 71.43 C ATOM 233 O LYS A 17 -6.726 10.183 6.364 1.00 2.43 O ATOM 234 CB LYS A 17 -7.577 7.638 4.692 1.00 44.42 C ATOM 235 CG LYS A 17 -7.589 6.469 5.661 1.00 2.23 C ATOM 236 CD LYS A 17 -7.786 5.147 4.938 1.00 10.44 C ATOM 237 CE LYS A 17 -8.625 4.182 5.761 1.00 32.12 C ATOM 238 NZ LYS A 17 -9.421 3.265 4.899 1.00 61.10 N ATOM 239 H LYS A 17 -5.280 6.719 4.098 1.00 14.03 H ATOM 240 HA LYS A 17 -6.335 9.235 3.990 1.00 53.13 H ATOM 241 HB2 LYS A 17 -8.412 8.281 4.925 1.00 15.31 H ATOM 242 HB3 LYS A 17 -7.700 7.250 3.691 1.00 15.20 H ATOM 243 HG2 LYS A 17 -6.647 6.441 6.189 1.00 13.25 H ATOM 244 HG3 LYS A 17 -8.396 6.607 6.367 1.00 3.11 H ATOM 245 HD2 LYS A 17 -8.287 5.331 3.999 1.00 3.45 H ATOM 246 HD3 LYS A 17 -6.819 4.701 4.752 1.00 52.55 H ATOM 247 HE2 LYS A 17 -7.968 3.596 6.385 1.00 70.30 H ATOM 248 HE3 LYS A 17 -9.299 4.752 6.384 1.00 62.10 H ATOM 249 HZ1 LYS A 17 -9.774 3.775 4.065 1.00 52.23 H ATOM 250 HZ2 LYS A 17 -10.232 2.888 5.431 1.00 5.30 H ATOM 251 HZ3 LYS A 17 -8.830 2.470 4.582 1.00 51.23 H ATOM 252 N THR A 18 -5.384 8.491 6.995 1.00 62.42 N ATOM 253 CA THR A 18 -5.170 9.016 8.337 1.00 23.33 C ATOM 254 C THR A 18 -4.103 10.105 8.338 1.00 33.12 C ATOM 255 O THR A 18 -3.374 10.273 9.316 1.00 42.22 O ATOM 256 CB THR A 18 -4.751 7.902 9.316 1.00 42.22 C ATOM 257 OG1 THR A 18 -4.822 8.382 10.663 1.00 35.32 O ATOM 258 CG2 THR A 18 -3.338 7.423 9.017 1.00 34.43 C ATOM 259 H THR A 18 -4.953 7.650 6.735 1.00 65.10 H ATOM 260 HA THR A 18 -6.102 9.438 8.683 1.00 72.10 H ATOM 261 HB THR A 18 -5.430 7.069 9.201 1.00 2.35 H ATOM 262 HG1 THR A 18 -5.156 7.685 11.234 1.00 74.04 H ATOM 263 HG21 THR A 18 -2.662 7.811 9.763 1.00 3.12 H ATOM 264 HG22 THR A 18 -3.038 7.774 8.041 1.00 23.42 H ATOM 265 HG23 THR A 18 -3.314 6.343 9.035 1.00 5.24 H ATOM 266 N CYS A 19 -4.018 10.844 7.237 1.00 63.51 N ATOM 267 CA CYS A 19 -3.040 11.918 7.110 1.00 73.20 C ATOM 268 C CYS A 19 -3.080 12.836 8.328 1.00 22.23 C ATOM 269 O CYS A 19 -2.157 13.618 8.558 1.00 54.21 O ATOM 270 CB CYS A 19 -3.304 12.727 5.839 1.00 45.52 C ATOM 271 SG CYS A 19 -1.919 12.725 4.655 1.00 23.53 S ATOM 272 H CYS A 19 -4.627 10.662 6.490 1.00 32.51 H ATOM 273 HA CYS A 19 -2.061 11.469 7.044 1.00 2.32 H ATOM 274 HB2 CYS A 19 -4.167 12.319 5.334 1.00 50.53 H ATOM 275 HB3 CYS A 19 -3.503 13.754 6.110 1.00 71.33 H TER 276 CYS A 19 ENDMDL MODEL 2 ATOM 1 N ASP A 1 -0.742 -0.953 -1.082 1.00 75.22 N ATOM 2 CA ASP A 1 0.513 -0.358 -1.526 1.00 12.13 C ATOM 3 C ASP A 1 0.276 1.022 -2.132 1.00 74.31 C ATOM 4 O ASP A 1 -0.795 1.297 -2.676 1.00 4.15 O ATOM 5 CB ASP A 1 1.200 -1.266 -2.547 1.00 30.14 C ATOM 6 CG ASP A 1 1.200 -2.721 -2.120 1.00 0.23 C ATOM 7 OD1 ASP A 1 0.216 -3.428 -2.423 1.00 4.32 O ATOM 8 OD2 ASP A 1 2.183 -3.152 -1.482 1.00 23.33 O ATOM 9 H1 ASP A 1 -1.143 -1.675 -1.612 1.00 10.54 H ATOM 10 HA ASP A 1 1.153 -0.253 -0.663 1.00 10.40 H ATOM 11 HB2 ASP A 1 0.684 -1.188 -3.493 1.00 24.22 H ATOM 12 HB3 ASP A 1 2.224 -0.946 -2.672 1.00 12.03 H ATOM 13 N CYS A 2 1.280 1.886 -2.035 1.00 22.14 N ATOM 14 CA CYS A 2 1.182 3.238 -2.572 1.00 34.35 C ATOM 15 C CYS A 2 1.522 3.258 -4.059 1.00 0.31 C ATOM 16 O CYS A 2 2.261 2.413 -4.564 1.00 21.11 O ATOM 17 CB CYS A 2 2.115 4.181 -1.810 1.00 64.33 C ATOM 18 SG CYS A 2 2.061 3.980 -0.001 1.00 22.35 S ATOM 19 H CYS A 2 2.109 1.608 -1.590 1.00 21.22 H ATOM 20 HA CYS A 2 0.164 3.572 -2.443 1.00 55.43 H ATOM 21 HB2 CYS A 2 3.132 4.003 -2.129 1.00 41.04 H ATOM 22 HB3 CYS A 2 1.846 5.202 -2.036 1.00 70.34 H ATOM 23 N PRO A 3 0.971 4.247 -4.778 1.00 51.23 N ATOM 24 CA PRO A 3 1.202 4.403 -6.217 1.00 62.24 C ATOM 25 C PRO A 3 2.630 4.838 -6.532 1.00 34.55 C ATOM 26 O PRO A 3 3.387 5.247 -5.652 1.00 2.33 O ATOM 27 CB PRO A 3 0.209 5.496 -6.620 1.00 4.20 C ATOM 28 CG PRO A 3 -0.021 6.277 -5.372 1.00 72.41 C ATOM 29 CD PRO A 3 0.080 5.290 -4.242 1.00 20.20 C ATOM 30 HA PRO A 3 0.977 3.494 -6.756 1.00 61.10 H ATOM 31 HB2 PRO A 3 0.642 6.111 -7.397 1.00 23.31 H ATOM 32 HB3 PRO A 3 -0.704 5.045 -6.977 1.00 63.43 H ATOM 33 HG2 PRO A 3 0.735 7.041 -5.272 1.00 34.43 H ATOM 34 HG3 PRO A 3 -1.005 6.721 -5.394 1.00 74.10 H ATOM 35 HD2 PRO A 3 0.514 5.757 -3.371 1.00 2.24 H ATOM 36 HD3 PRO A 3 -0.893 4.882 -4.009 1.00 4.23 H ATOM 37 N PRO A 4 3.008 4.748 -7.815 1.00 75.43 N ATOM 38 CA PRO A 4 4.346 5.128 -8.275 1.00 5.31 C ATOM 39 C PRO A 4 4.575 6.635 -8.211 1.00 73.32 C ATOM 40 O PRO A 4 5.593 7.097 -7.696 1.00 11.24 O ATOM 41 CB PRO A 4 4.374 4.644 -9.727 1.00 1.22 C ATOM 42 CG PRO A 4 2.945 4.625 -10.147 1.00 30.10 C ATOM 43 CD PRO A 4 2.157 4.268 -8.917 1.00 74.03 C ATOM 44 HA PRO A 4 5.118 4.624 -7.711 1.00 13.41 H ATOM 45 HB2 PRO A 4 4.954 5.331 -10.327 1.00 1.20 H ATOM 46 HB3 PRO A 4 4.812 3.659 -9.773 1.00 63.42 H ATOM 47 HG2 PRO A 4 2.655 5.600 -10.508 1.00 62.23 H ATOM 48 HG3 PRO A 4 2.799 3.880 -10.915 1.00 34.31 H ATOM 49 HD2 PRO A 4 1.204 4.777 -8.919 1.00 21.13 H ATOM 50 HD3 PRO A 4 2.015 3.199 -8.857 1.00 21.11 H ATOM 51 N HIS A 5 3.621 7.396 -8.738 1.00 72.00 N ATOM 52 CA HIS A 5 3.718 8.851 -8.740 1.00 11.33 C ATOM 53 C HIS A 5 2.624 9.470 -7.874 1.00 60.24 C ATOM 54 O HIS A 5 1.581 8.866 -7.625 1.00 35.02 O ATOM 55 CB HIS A 5 3.619 9.388 -10.168 1.00 4.42 C ATOM 56 CG HIS A 5 2.550 8.729 -10.983 1.00 41.23 C ATOM 57 ND1 HIS A 5 1.209 9.013 -10.836 1.00 53.22 N ATOM 58 CD2 HIS A 5 2.631 7.795 -11.960 1.00 55.50 C ATOM 59 CE1 HIS A 5 0.510 8.281 -11.686 1.00 3.41 C ATOM 60 NE2 HIS A 5 1.350 7.534 -12.380 1.00 55.20 N ATOM 61 H HIS A 5 2.833 6.969 -9.134 1.00 61.14 H ATOM 62 HA HIS A 5 4.679 9.120 -8.329 1.00 23.01 H ATOM 63 HB2 HIS A 5 3.405 10.446 -10.133 1.00 52.45 H ATOM 64 HB3 HIS A 5 4.564 9.234 -10.670 1.00 33.41 H ATOM 65 HD1 HIS A 5 0.826 9.654 -10.202 1.00 52.22 H ATOM 66 HD2 HIS A 5 3.534 7.340 -12.339 1.00 65.51 H ATOM 67 HE1 HIS A 5 -0.564 8.292 -11.795 1.00 42.24 H ATOM 68 N PRO A 6 2.866 10.702 -7.405 1.00 5.54 N ATOM 69 CA PRO A 6 1.914 11.429 -6.560 1.00 11.21 C ATOM 70 C PRO A 6 0.670 11.861 -7.328 1.00 74.33 C ATOM 71 O PRO A 6 0.766 12.439 -8.411 1.00 74.41 O ATOM 72 CB PRO A 6 2.710 12.653 -6.100 1.00 53.31 C ATOM 73 CG PRO A 6 3.740 12.855 -7.158 1.00 35.34 C ATOM 74 CD PRO A 6 4.089 11.482 -7.662 1.00 71.01 C ATOM 75 HA PRO A 6 1.620 10.845 -5.700 1.00 41.01 H ATOM 76 HB2 PRO A 6 2.050 13.506 -6.022 1.00 40.12 H ATOM 77 HB3 PRO A 6 3.163 12.453 -5.141 1.00 10.10 H ATOM 78 HG2 PRO A 6 3.333 13.456 -7.957 1.00 31.35 H ATOM 79 HG3 PRO A 6 4.612 13.331 -6.734 1.00 55.12 H ATOM 80 HD2 PRO A 6 4.311 11.513 -8.719 1.00 11.45 H ATOM 81 HD3 PRO A 6 4.926 11.079 -7.111 1.00 34.13 H ATOM 82 N VAL A 7 -0.499 11.577 -6.761 1.00 63.33 N ATOM 83 CA VAL A 7 -1.763 11.937 -7.393 1.00 4.14 C ATOM 84 C VAL A 7 -2.493 13.007 -6.589 1.00 42.31 C ATOM 85 O VAL A 7 -3.454 12.732 -5.871 1.00 22.35 O ATOM 86 CB VAL A 7 -2.682 10.711 -7.548 1.00 42.14 C ATOM 87 CG1 VAL A 7 -3.996 11.108 -8.204 1.00 44.31 C ATOM 88 CG2 VAL A 7 -1.985 9.621 -8.349 1.00 41.41 C ATOM 89 H VAL A 7 -0.511 11.115 -5.897 1.00 62.53 H ATOM 90 HA VAL A 7 -1.545 12.325 -8.377 1.00 54.32 H ATOM 91 HB VAL A 7 -2.899 10.322 -6.564 1.00 53.24 H ATOM 92 HG11 VAL A 7 -4.187 10.461 -9.047 1.00 63.14 H ATOM 93 HG12 VAL A 7 -4.799 11.015 -7.488 1.00 5.24 H ATOM 94 HG13 VAL A 7 -3.933 12.132 -8.544 1.00 61.30 H ATOM 95 HG21 VAL A 7 -2.091 8.676 -7.839 1.00 72.43 H ATOM 96 HG22 VAL A 7 -2.432 9.555 -9.330 1.00 23.12 H ATOM 97 HG23 VAL A 7 -0.936 9.861 -8.447 1.00 41.22 H ATOM 98 N PRO A 8 -2.028 14.259 -6.712 1.00 11.50 N ATOM 99 CA PRO A 8 -2.623 15.398 -6.005 1.00 71.42 C ATOM 100 C PRO A 8 -4.006 15.754 -6.540 1.00 62.34 C ATOM 101 O PRO A 8 -4.276 15.614 -7.732 1.00 62.44 O ATOM 102 CB PRO A 8 -1.636 16.537 -6.273 1.00 73.32 C ATOM 103 CG PRO A 8 -0.963 16.163 -7.548 1.00 60.53 C ATOM 104 CD PRO A 8 -0.886 14.661 -7.551 1.00 33.21 C ATOM 105 HA PRO A 8 -2.686 15.216 -4.942 1.00 64.22 H ATOM 106 HB2 PRO A 8 -2.176 17.469 -6.369 1.00 22.41 H ATOM 107 HB3 PRO A 8 -0.930 16.605 -5.459 1.00 52.14 H ATOM 108 HG2 PRO A 8 -1.546 16.510 -8.387 1.00 74.33 H ATOM 109 HG3 PRO A 8 0.029 16.588 -7.578 1.00 3.05 H ATOM 110 HD2 PRO A 8 -0.993 14.279 -8.556 1.00 1.25 H ATOM 111 HD3 PRO A 8 0.045 14.330 -7.116 1.00 65.34 H ATOM 112 N GLY A 9 -4.879 16.216 -5.650 1.00 71.34 N ATOM 113 CA GLY A 9 -6.224 16.585 -6.053 1.00 44.00 C ATOM 114 C GLY A 9 -7.277 16.089 -5.082 1.00 65.31 C ATOM 115 O GLY A 9 -7.424 16.629 -3.986 1.00 43.24 O ATOM 116 H GLY A 9 -4.608 16.306 -4.713 1.00 12.32 H ATOM 117 HA2 GLY A 9 -6.286 17.661 -6.117 1.00 2.15 H ATOM 118 HA3 GLY A 9 -6.423 16.165 -7.028 1.00 32.21 H ATOM 119 N MET A 10 -8.012 15.058 -5.485 1.00 60.23 N ATOM 120 CA MET A 10 -9.057 14.489 -4.642 1.00 54.33 C ATOM 121 C MET A 10 -8.501 14.095 -3.278 1.00 30.11 C ATOM 122 O MET A 10 -8.739 14.775 -2.279 1.00 44.22 O ATOM 123 CB MET A 10 -9.684 13.270 -5.322 1.00 50.53 C ATOM 124 CG MET A 10 -10.992 13.577 -6.034 1.00 2.02 C ATOM 125 SD MET A 10 -12.392 13.673 -4.902 1.00 73.21 S ATOM 126 CE MET A 10 -12.796 15.415 -5.009 1.00 63.44 C ATOM 127 H MET A 10 -7.848 14.669 -6.370 1.00 2.20 H ATOM 128 HA MET A 10 -9.817 15.243 -4.504 1.00 15.42 H ATOM 129 HB2 MET A 10 -8.987 12.880 -6.049 1.00 1.24 H ATOM 130 HB3 MET A 10 -9.875 12.514 -4.575 1.00 43.34 H ATOM 131 HG2 MET A 10 -10.896 14.523 -6.545 1.00 5.43 H ATOM 132 HG3 MET A 10 -11.183 12.798 -6.757 1.00 30.02 H ATOM 133 HE1 MET A 10 -12.403 15.929 -4.144 1.00 31.41 H ATOM 134 HE2 MET A 10 -12.358 15.831 -5.905 1.00 13.24 H ATOM 135 HE3 MET A 10 -13.868 15.534 -5.044 1.00 35.13 H ATOM 136 N HIS A 11 -7.760 12.992 -3.242 1.00 62.02 N ATOM 137 CA HIS A 11 -7.169 12.508 -1.999 1.00 74.55 C ATOM 138 C HIS A 11 -5.821 11.843 -2.261 1.00 52.13 C ATOM 139 O HIS A 11 -5.744 10.633 -2.475 1.00 32.03 O ATOM 140 CB HIS A 11 -8.113 11.520 -1.313 1.00 31.30 C ATOM 141 CG HIS A 11 -9.534 11.990 -1.255 1.00 2.22 C ATOM 142 ND1 HIS A 11 -9.974 12.948 -0.365 1.00 63.42 N ATOM 143 CD2 HIS A 11 -10.616 11.631 -1.984 1.00 31.21 C ATOM 144 CE1 HIS A 11 -11.265 13.155 -0.548 1.00 53.55 C ATOM 145 NE2 HIS A 11 -11.679 12.369 -1.526 1.00 14.04 N ATOM 146 H HIS A 11 -7.606 12.493 -4.071 1.00 71.30 H ATOM 147 HA HIS A 11 -7.018 13.357 -1.351 1.00 40.00 H ATOM 148 HB2 HIS A 11 -8.096 10.583 -1.851 1.00 13.04 H ATOM 149 HB3 HIS A 11 -7.776 11.354 -0.300 1.00 22.01 H ATOM 150 HD1 HIS A 11 -9.422 13.405 0.302 1.00 4.22 H ATOM 151 HD2 HIS A 11 -10.640 10.899 -2.779 1.00 60.40 H ATOM 152 HE1 HIS A 11 -11.879 13.850 0.005 1.00 2.23 H ATOM 153 N LYS A 12 -4.760 12.643 -2.244 1.00 60.54 N ATOM 154 CA LYS A 12 -3.414 12.133 -2.479 1.00 51.33 C ATOM 155 C LYS A 12 -2.964 11.235 -1.331 1.00 50.24 C ATOM 156 O LYS A 12 -1.965 10.524 -1.441 1.00 43.10 O ATOM 157 CB LYS A 12 -2.430 13.293 -2.649 1.00 52.14 C ATOM 158 CG LYS A 12 -2.082 13.991 -1.346 1.00 51.43 C ATOM 159 CD LYS A 12 -1.929 15.491 -1.541 1.00 34.34 C ATOM 160 CE LYS A 12 -0.607 15.993 -0.981 1.00 54.51 C ATOM 161 NZ LYS A 12 0.547 15.571 -1.821 1.00 61.23 N ATOM 162 H LYS A 12 -4.885 13.599 -2.069 1.00 11.14 H ATOM 163 HA LYS A 12 -3.433 11.552 -3.389 1.00 12.31 H ATOM 164 HB2 LYS A 12 -1.518 12.914 -3.086 1.00 3.33 H ATOM 165 HB3 LYS A 12 -2.864 14.022 -3.319 1.00 62.22 H ATOM 166 HG2 LYS A 12 -2.870 13.811 -0.630 1.00 24.32 H ATOM 167 HG3 LYS A 12 -1.152 13.590 -0.971 1.00 22.44 H ATOM 168 HD2 LYS A 12 -1.969 15.714 -2.596 1.00 45.24 H ATOM 169 HD3 LYS A 12 -2.740 15.995 -1.034 1.00 31.02 H ATOM 170 HE2 LYS A 12 -0.636 17.071 -0.940 1.00 2.44 H ATOM 171 HE3 LYS A 12 -0.480 15.598 0.016 1.00 52.11 H ATOM 172 HZ1 LYS A 12 0.936 14.673 -1.469 1.00 71.12 H ATOM 173 HZ2 LYS A 12 1.293 16.295 -1.792 1.00 65.35 H ATOM 174 HZ3 LYS A 12 0.243 15.442 -2.807 1.00 62.23 H ATOM 175 N CYS A 13 -3.708 11.271 -0.231 1.00 53.32 N ATOM 176 CA CYS A 13 -3.387 10.460 0.937 1.00 51.31 C ATOM 177 C CYS A 13 -4.148 9.138 0.907 1.00 71.01 C ATOM 178 O CYS A 13 -4.553 8.618 1.947 1.00 41.31 O ATOM 179 CB CYS A 13 -3.719 11.224 2.221 1.00 73.54 C ATOM 180 SG CYS A 13 -2.540 12.553 2.622 1.00 61.33 S ATOM 181 H CYS A 13 -4.494 11.859 -0.204 1.00 24.42 H ATOM 182 HA CYS A 13 -2.328 10.253 0.916 1.00 72.42 H ATOM 183 HB2 CYS A 13 -4.697 11.672 2.121 1.00 50.13 H ATOM 184 HB3 CYS A 13 -3.730 10.531 3.049 1.00 4.34 H ATOM 185 N VAL A 14 -4.339 8.598 -0.293 1.00 2.41 N ATOM 186 CA VAL A 14 -5.050 7.336 -0.459 1.00 44.33 C ATOM 187 C VAL A 14 -4.329 6.201 0.259 1.00 62.13 C ATOM 188 O VAL A 14 -4.954 5.382 0.933 1.00 71.33 O ATOM 189 CB VAL A 14 -5.204 6.971 -1.948 1.00 14.43 C ATOM 190 CG1 VAL A 14 -3.851 6.972 -2.641 1.00 63.14 C ATOM 191 CG2 VAL A 14 -5.888 5.621 -2.096 1.00 73.33 C ATOM 192 H VAL A 14 -3.993 9.060 -1.085 1.00 24.10 H ATOM 193 HA VAL A 14 -6.036 7.450 -0.034 1.00 30.14 H ATOM 194 HB VAL A 14 -5.825 7.719 -2.418 1.00 54.42 H ATOM 195 HG11 VAL A 14 -3.968 7.319 -3.658 1.00 4.24 H ATOM 196 HG12 VAL A 14 -3.174 7.626 -2.111 1.00 54.43 H ATOM 197 HG13 VAL A 14 -3.450 5.969 -2.649 1.00 21.13 H ATOM 198 HG21 VAL A 14 -5.204 4.918 -2.547 1.00 60.25 H ATOM 199 HG22 VAL A 14 -6.186 5.260 -1.123 1.00 72.01 H ATOM 200 HG23 VAL A 14 -6.762 5.726 -2.724 1.00 24.22 H ATOM 201 N CYS A 15 -3.009 6.158 0.110 1.00 30.15 N ATOM 202 CA CYS A 15 -2.201 5.123 0.744 1.00 11.25 C ATOM 203 C CYS A 15 -2.143 5.328 2.256 1.00 75.34 C ATOM 204 O CYS A 15 -1.630 4.481 2.989 1.00 40.43 O ATOM 205 CB CYS A 15 -0.785 5.125 0.164 1.00 14.12 C ATOM 206 SG CYS A 15 0.216 3.680 0.642 1.00 52.13 S ATOM 207 H CYS A 15 -2.567 6.839 -0.440 1.00 1.35 H ATOM 208 HA CYS A 15 -2.663 4.169 0.540 1.00 12.51 H ATOM 209 HB2 CYS A 15 -0.847 5.139 -0.914 1.00 42.33 H ATOM 210 HB3 CYS A 15 -0.267 6.011 0.502 1.00 75.34 H ATOM 211 N LEU A 16 -2.674 6.456 2.715 1.00 63.22 N ATOM 212 CA LEU A 16 -2.684 6.772 4.139 1.00 44.52 C ATOM 213 C LEU A 16 -3.816 7.738 4.474 1.00 2.01 C ATOM 214 O LEU A 16 -3.578 8.860 4.921 1.00 44.42 O ATOM 215 CB LEU A 16 -1.342 7.377 4.556 1.00 1.13 C ATOM 216 CG LEU A 16 -0.944 8.676 3.854 1.00 24.23 C ATOM 217 CD1 LEU A 16 -0.174 9.581 4.803 1.00 2.14 C ATOM 218 CD2 LEU A 16 -0.118 8.379 2.611 1.00 72.51 C ATOM 219 H LEU A 16 -3.068 7.091 2.082 1.00 11.44 H ATOM 220 HA LEU A 16 -2.839 5.852 4.682 1.00 40.03 H ATOM 221 HB2 LEU A 16 -1.384 7.574 5.616 1.00 24.15 H ATOM 222 HB3 LEU A 16 -0.573 6.643 4.358 1.00 55.40 H ATOM 223 HG LEU A 16 -1.838 9.200 3.546 1.00 62.22 H ATOM 224 HD11 LEU A 16 0.243 10.410 4.251 1.00 24.44 H ATOM 225 HD12 LEU A 16 0.623 9.020 5.269 1.00 43.35 H ATOM 226 HD13 LEU A 16 -0.842 9.955 5.565 1.00 12.22 H ATOM 227 HD21 LEU A 16 0.922 8.589 2.811 1.00 51.15 H ATOM 228 HD22 LEU A 16 -0.461 8.998 1.795 1.00 33.32 H ATOM 229 HD23 LEU A 16 -0.231 7.337 2.345 1.00 40.55 H ATOM 230 N LYS A 17 -5.049 7.293 4.258 1.00 51.53 N ATOM 231 CA LYS A 17 -6.220 8.116 4.540 1.00 63.42 C ATOM 232 C LYS A 17 -6.104 8.776 5.910 1.00 64.21 C ATOM 233 O LYS A 17 -6.699 9.825 6.158 1.00 42.10 O ATOM 234 CB LYS A 17 -7.492 7.267 4.477 1.00 63.10 C ATOM 235 CG LYS A 17 -7.490 6.097 5.445 1.00 34.33 C ATOM 236 CD LYS A 17 -8.148 6.464 6.765 1.00 51.11 C ATOM 237 CE LYS A 17 -9.583 5.963 6.831 1.00 25.34 C ATOM 238 NZ LYS A 17 -9.649 4.519 7.192 1.00 14.42 N ATOM 239 H LYS A 17 -5.175 6.389 3.900 1.00 11.11 H ATOM 240 HA LYS A 17 -6.274 8.886 3.786 1.00 44.04 H ATOM 241 HB2 LYS A 17 -8.341 7.895 4.704 1.00 25.35 H ATOM 242 HB3 LYS A 17 -7.601 6.878 3.475 1.00 71.41 H ATOM 243 HG2 LYS A 17 -8.032 5.274 5.002 1.00 21.05 H ATOM 244 HG3 LYS A 17 -6.469 5.798 5.633 1.00 2.04 H ATOM 245 HD2 LYS A 17 -7.586 6.021 7.573 1.00 30.33 H ATOM 246 HD3 LYS A 17 -8.147 7.540 6.871 1.00 64.14 H ATOM 247 HE2 LYS A 17 -10.116 6.536 7.574 1.00 73.40 H ATOM 248 HE3 LYS A 17 -10.045 6.106 5.866 1.00 61.51 H ATOM 249 HZ1 LYS A 17 -10.386 4.045 6.632 1.00 22.43 H ATOM 250 HZ2 LYS A 17 -9.875 4.414 8.202 1.00 4.13 H ATOM 251 HZ3 LYS A 17 -8.735 4.061 7.003 1.00 14.11 H ATOM 252 N THR A 18 -5.332 8.156 6.797 1.00 32.44 N ATOM 253 CA THR A 18 -5.138 8.683 8.142 1.00 3.10 C ATOM 254 C THR A 18 -4.091 9.791 8.152 1.00 62.00 C ATOM 255 O THR A 18 -3.371 9.971 9.135 1.00 35.31 O ATOM 256 CB THR A 18 -4.707 7.576 9.123 1.00 42.22 C ATOM 257 OG1 THR A 18 -4.797 8.053 10.470 1.00 41.20 O ATOM 258 CG2 THR A 18 -3.284 7.122 8.834 1.00 30.45 C ATOM 259 H THR A 18 -4.884 7.323 6.540 1.00 33.23 H ATOM 260 HA THR A 18 -6.080 9.088 8.481 1.00 52.42 H ATOM 261 HB THR A 18 -5.370 6.732 9.003 1.00 72.42 H ATOM 262 HG1 THR A 18 -3.994 8.530 10.695 1.00 32.01 H ATOM 263 HG21 THR A 18 -3.244 6.043 8.837 1.00 70.24 H ATOM 264 HG22 THR A 18 -2.622 7.508 9.595 1.00 25.51 H ATOM 265 HG23 THR A 18 -2.977 7.492 7.868 1.00 60.44 H ATOM 266 N CYS A 19 -4.010 10.532 7.052 1.00 13.52 N ATOM 267 CA CYS A 19 -3.051 11.624 6.934 1.00 72.02 C ATOM 268 C CYS A 19 -3.116 12.540 8.153 1.00 62.42 C ATOM 269 O CYS A 19 -2.093 13.041 8.619 1.00 2.31 O ATOM 270 CB CYS A 19 -3.319 12.431 5.662 1.00 73.43 C ATOM 271 SG CYS A 19 -1.926 12.453 4.488 1.00 10.43 S ATOM 272 H CYS A 19 -4.611 10.341 6.301 1.00 70.22 H ATOM 273 HA CYS A 19 -2.063 11.193 6.875 1.00 74.02 H ATOM 274 HB2 CYS A 19 -4.172 12.008 5.150 1.00 42.12 H ATOM 275 HB3 CYS A 19 -3.539 13.453 5.932 1.00 22.32 H TER 276 CYS A 19 ENDMDL MODEL 3 ATOM 1 N ASP A 1 -0.556 -0.468 -0.294 1.00 73.41 N ATOM 2 CA ASP A 1 0.521 -0.151 -1.224 1.00 52.44 C ATOM 3 C ASP A 1 0.287 1.205 -1.884 1.00 1.14 C ATOM 4 O ASP A 1 -0.806 1.489 -2.375 1.00 21.52 O ATOM 5 CB ASP A 1 0.638 -1.238 -2.293 1.00 74.15 C ATOM 6 CG ASP A 1 0.438 -2.630 -1.728 1.00 35.25 C ATOM 7 OD1 ASP A 1 0.957 -2.902 -0.625 1.00 71.32 O ATOM 8 OD2 ASP A 1 -0.238 -3.448 -2.387 1.00 42.04 O ATOM 9 H1 ASP A 1 -0.924 0.242 0.273 1.00 61.03 H ATOM 10 HA ASP A 1 1.442 -0.110 -0.663 1.00 42.24 H ATOM 11 HB2 ASP A 1 -0.111 -1.068 -3.054 1.00 63.20 H ATOM 12 HB3 ASP A 1 1.619 -1.189 -2.742 1.00 52.32 H ATOM 13 N CYS A 2 1.321 2.040 -1.890 1.00 13.21 N ATOM 14 CA CYS A 2 1.229 3.367 -2.487 1.00 12.12 C ATOM 15 C CYS A 2 1.447 3.301 -3.996 1.00 35.03 C ATOM 16 O CYS A 2 2.110 2.402 -4.514 1.00 1.44 O ATOM 17 CB CYS A 2 2.256 4.307 -1.853 1.00 24.31 C ATOM 18 SG CYS A 2 2.353 4.187 -0.038 1.00 23.23 S ATOM 19 H CYS A 2 2.167 1.757 -1.482 1.00 50.35 H ATOM 20 HA CYS A 2 0.238 3.749 -2.295 1.00 51.50 H ATOM 21 HB2 CYS A 2 3.235 4.077 -2.249 1.00 50.41 H ATOM 22 HB3 CYS A 2 2.003 5.326 -2.102 1.00 53.35 H ATOM 23 N PRO A 3 0.875 4.275 -4.719 1.00 40.22 N ATOM 24 CA PRO A 3 0.993 4.351 -6.178 1.00 71.34 C ATOM 25 C PRO A 3 2.405 4.711 -6.628 1.00 72.30 C ATOM 26 O PRO A 3 3.244 5.139 -5.836 1.00 24.54 O ATOM 27 CB PRO A 3 0.011 5.463 -6.556 1.00 64.25 C ATOM 28 CG PRO A 3 -0.087 6.312 -5.336 1.00 52.04 C ATOM 29 CD PRO A 3 0.070 5.378 -4.168 1.00 41.42 C ATOM 30 HA PRO A 3 0.691 3.427 -6.649 1.00 61.51 H ATOM 31 HB2 PRO A 3 0.401 6.020 -7.397 1.00 4.35 H ATOM 32 HB3 PRO A 3 -0.944 5.032 -6.816 1.00 20.05 H ATOM 33 HG2 PRO A 3 0.702 7.048 -5.337 1.00 11.52 H ATOM 34 HG3 PRO A 3 -1.053 6.795 -5.303 1.00 22.44 H ATOM 35 HD2 PRO A 3 0.591 5.870 -3.360 1.00 22.30 H ATOM 36 HD3 PRO A 3 -0.894 5.023 -3.837 1.00 34.22 H ATOM 37 N PRO A 4 2.675 4.535 -7.930 1.00 30.00 N ATOM 38 CA PRO A 4 3.985 4.837 -8.514 1.00 61.43 C ATOM 39 C PRO A 4 4.270 6.334 -8.557 1.00 21.12 C ATOM 40 O PRO A 4 5.342 6.784 -8.150 1.00 70.14 O ATOM 41 CB PRO A 4 3.879 4.272 -9.933 1.00 61.12 C ATOM 42 CG PRO A 4 2.421 4.286 -10.238 1.00 61.44 C ATOM 43 CD PRO A 4 1.722 4.029 -8.932 1.00 61.21 C ATOM 44 HA PRO A 4 4.781 4.335 -7.984 1.00 21.31 H ATOM 45 HB2 PRO A 4 4.433 4.901 -10.616 1.00 14.20 H ATOM 46 HB3 PRO A 4 4.278 3.269 -9.956 1.00 74.20 H ATOM 47 HG2 PRO A 4 2.137 5.250 -10.632 1.00 64.43 H ATOM 48 HG3 PRO A 4 2.188 3.505 -10.948 1.00 14.33 H ATOM 49 HD2 PRO A 4 0.791 4.574 -8.889 1.00 31.03 H ATOM 50 HD3 PRO A 4 1.549 2.971 -8.798 1.00 52.14 H ATOM 51 N HIS A 5 3.304 7.102 -9.051 1.00 30.21 N ATOM 52 CA HIS A 5 3.451 8.550 -9.145 1.00 63.12 C ATOM 53 C HIS A 5 2.458 9.258 -8.228 1.00 62.14 C ATOM 54 O HIS A 5 1.420 8.710 -7.856 1.00 44.03 O ATOM 55 CB HIS A 5 3.249 9.011 -10.589 1.00 0.32 C ATOM 56 CG HIS A 5 2.093 8.349 -11.273 1.00 20.11 C ATOM 57 ND1 HIS A 5 0.779 8.690 -11.031 1.00 21.25 N ATOM 58 CD2 HIS A 5 2.059 7.361 -12.198 1.00 44.40 C ATOM 59 CE1 HIS A 5 -0.013 7.940 -11.776 1.00 22.54 C ATOM 60 NE2 HIS A 5 0.739 7.125 -12.494 1.00 4.22 N ATOM 61 H HIS A 5 2.473 6.685 -9.359 1.00 34.23 H ATOM 62 HA HIS A 5 4.453 8.802 -8.833 1.00 2.31 H ATOM 63 HB2 HIS A 5 3.073 10.077 -10.598 1.00 32.13 H ATOM 64 HB3 HIS A 5 4.141 8.794 -11.158 1.00 4.01 H ATOM 65 HD1 HIS A 5 0.473 9.378 -10.404 1.00 73.03 H ATOM 66 HD2 HIS A 5 2.912 6.852 -12.625 1.00 4.41 H ATOM 67 HE1 HIS A 5 -1.091 7.984 -11.795 1.00 54.13 H ATOM 68 N PRO A 6 2.782 10.504 -7.854 1.00 43.52 N ATOM 69 CA PRO A 6 1.932 11.314 -6.976 1.00 71.33 C ATOM 70 C PRO A 6 0.641 11.750 -7.661 1.00 30.22 C ATOM 71 O PRO A 6 0.659 12.232 -8.793 1.00 62.15 O ATOM 72 CB PRO A 6 2.806 12.530 -6.658 1.00 73.34 C ATOM 73 CG PRO A 6 3.746 12.631 -7.809 1.00 43.53 C ATOM 74 CD PRO A 6 4.004 11.220 -8.260 1.00 13.12 C ATOM 75 HA PRO A 6 1.694 10.790 -6.062 1.00 0.32 H ATOM 76 HB2 PRO A 6 2.185 13.411 -6.575 1.00 73.45 H ATOM 77 HB3 PRO A 6 3.333 12.366 -5.731 1.00 24.30 H ATOM 78 HG2 PRO A 6 3.293 13.202 -8.605 1.00 55.30 H ATOM 79 HG3 PRO A 6 4.667 13.096 -7.490 1.00 43.40 H ATOM 80 HD2 PRO A 6 4.134 11.184 -9.331 1.00 61.12 H ATOM 81 HD3 PRO A 6 4.871 10.816 -7.758 1.00 52.24 H ATOM 82 N VAL A 7 -0.479 11.578 -6.966 1.00 72.11 N ATOM 83 CA VAL A 7 -1.780 11.955 -7.507 1.00 4.33 C ATOM 84 C VAL A 7 -2.378 13.125 -6.733 1.00 61.20 C ATOM 85 O VAL A 7 -3.280 12.961 -5.911 1.00 52.35 O ATOM 86 CB VAL A 7 -2.766 10.773 -7.473 1.00 12.04 C ATOM 87 CG1 VAL A 7 -4.114 11.185 -8.045 1.00 1.31 C ATOM 88 CG2 VAL A 7 -2.197 9.583 -8.230 1.00 74.04 C ATOM 89 H VAL A 7 -0.430 11.189 -6.068 1.00 63.52 H ATOM 90 HA VAL A 7 -1.640 12.251 -8.536 1.00 52.04 H ATOM 91 HB VAL A 7 -2.912 10.481 -6.443 1.00 5.22 H ATOM 92 HG11 VAL A 7 -4.066 12.213 -8.373 1.00 42.25 H ATOM 93 HG12 VAL A 7 -4.359 10.549 -8.883 1.00 15.24 H ATOM 94 HG13 VAL A 7 -4.873 11.087 -7.283 1.00 54.21 H ATOM 95 HG21 VAL A 7 -3.007 8.987 -8.625 1.00 25.30 H ATOM 96 HG22 VAL A 7 -1.580 9.936 -9.043 1.00 13.31 H ATOM 97 HG23 VAL A 7 -1.600 8.981 -7.561 1.00 34.14 H ATOM 98 N PRO A 8 -1.865 14.335 -7.000 1.00 53.12 N ATOM 99 CA PRO A 8 -2.335 15.557 -6.340 1.00 62.03 C ATOM 100 C PRO A 8 -3.742 15.948 -6.778 1.00 51.21 C ATOM 101 O PRO A 8 -4.130 15.728 -7.925 1.00 22.34 O ATOM 102 CB PRO A 8 -1.322 16.614 -6.789 1.00 31.35 C ATOM 103 CG PRO A 8 -0.790 16.103 -8.083 1.00 1.40 C ATOM 104 CD PRO A 8 -0.788 14.604 -7.968 1.00 12.13 C ATOM 105 HA PRO A 8 -2.307 15.463 -5.265 1.00 21.44 H ATOM 106 HB2 PRO A 8 -1.821 17.564 -6.913 1.00 14.41 H ATOM 107 HB3 PRO A 8 -0.541 16.705 -6.049 1.00 42.22 H ATOM 108 HG2 PRO A 8 -1.431 16.417 -8.893 1.00 31.43 H ATOM 109 HG3 PRO A 8 0.215 16.468 -8.236 1.00 1.25 H ATOM 110 HD2 PRO A 8 -1.007 14.152 -8.924 1.00 22.13 H ATOM 111 HD3 PRO A 8 0.162 14.256 -7.592 1.00 25.41 H ATOM 112 N GLY A 9 -4.503 16.531 -5.857 1.00 33.04 N ATOM 113 CA GLY A 9 -5.859 16.944 -6.168 1.00 33.15 C ATOM 114 C GLY A 9 -6.868 16.428 -5.161 1.00 21.54 C ATOM 115 O GLY A 9 -7.007 16.983 -4.071 1.00 55.15 O ATOM 116 H GLY A 9 -4.141 16.682 -4.958 1.00 60.44 H ATOM 117 HA2 GLY A 9 -5.901 18.023 -6.183 1.00 20.35 H ATOM 118 HA3 GLY A 9 -6.122 16.570 -7.146 1.00 63.13 H ATOM 119 N MET A 10 -7.574 15.362 -5.526 1.00 1.44 N ATOM 120 CA MET A 10 -8.575 14.772 -4.645 1.00 75.35 C ATOM 121 C MET A 10 -7.988 14.488 -3.266 1.00 52.45 C ATOM 122 O MET A 10 -8.262 15.207 -2.304 1.00 74.35 O ATOM 123 CB MET A 10 -9.123 13.480 -5.255 1.00 24.51 C ATOM 124 CG MET A 10 -10.146 13.712 -6.355 1.00 25.00 C ATOM 125 SD MET A 10 -11.694 14.394 -5.731 1.00 22.40 S ATOM 126 CE MET A 10 -12.849 13.118 -6.227 1.00 14.04 C ATOM 127 H MET A 10 -7.418 14.963 -6.407 1.00 43.20 H ATOM 128 HA MET A 10 -9.384 15.480 -4.541 1.00 45.11 H ATOM 129 HB2 MET A 10 -8.301 12.915 -5.670 1.00 40.43 H ATOM 130 HB3 MET A 10 -9.591 12.897 -4.475 1.00 41.43 H ATOM 131 HG2 MET A 10 -9.730 14.401 -7.075 1.00 53.21 H ATOM 132 HG3 MET A 10 -10.352 12.769 -6.840 1.00 11.31 H ATOM 133 HE1 MET A 10 -13.793 13.572 -6.492 1.00 73.44 H ATOM 134 HE2 MET A 10 -12.454 12.585 -7.078 1.00 62.23 H ATOM 135 HE3 MET A 10 -12.998 12.430 -5.408 1.00 30.41 H ATOM 136 N HIS A 11 -7.179 13.437 -3.177 1.00 53.31 N ATOM 137 CA HIS A 11 -6.553 13.060 -1.915 1.00 71.30 C ATOM 138 C HIS A 11 -5.170 12.460 -2.153 1.00 12.54 C ATOM 139 O HIS A 11 -5.031 11.442 -2.830 1.00 32.54 O ATOM 140 CB HIS A 11 -7.433 12.060 -1.164 1.00 22.20 C ATOM 141 CG HIS A 11 -8.877 12.452 -1.114 1.00 53.22 C ATOM 142 ND1 HIS A 11 -9.360 13.441 -0.284 1.00 13.34 N ATOM 143 CD2 HIS A 11 -9.946 11.984 -1.800 1.00 32.41 C ATOM 144 CE1 HIS A 11 -10.664 13.563 -0.459 1.00 60.12 C ATOM 145 NE2 HIS A 11 -11.044 12.690 -1.375 1.00 33.14 N ATOM 146 H HIS A 11 -6.999 12.904 -3.979 1.00 32.43 H ATOM 147 HA HIS A 11 -6.447 13.952 -1.317 1.00 40.24 H ATOM 148 HB2 HIS A 11 -7.368 11.097 -1.650 1.00 4.33 H ATOM 149 HB3 HIS A 11 -7.077 11.970 -0.148 1.00 33.44 H ATOM 150 HD1 HIS A 11 -8.827 13.973 0.343 1.00 52.44 H ATOM 151 HD2 HIS A 11 -9.938 11.199 -2.544 1.00 1.13 H ATOM 152 HE1 HIS A 11 -11.309 14.258 0.057 1.00 74.22 H ATOM 153 N LYS A 12 -4.149 13.100 -1.592 1.00 14.00 N ATOM 154 CA LYS A 12 -2.777 12.631 -1.742 1.00 1.14 C ATOM 155 C LYS A 12 -2.430 11.611 -0.662 1.00 62.11 C ATOM 156 O LYS A 12 -1.422 10.909 -0.758 1.00 15.14 O ATOM 157 CB LYS A 12 -1.803 13.810 -1.676 1.00 54.01 C ATOM 158 CG LYS A 12 -2.041 14.856 -2.752 1.00 21.50 C ATOM 159 CD LYS A 12 -1.498 16.213 -2.339 1.00 50.55 C ATOM 160 CE LYS A 12 -2.414 16.899 -1.338 1.00 14.22 C ATOM 161 NZ LYS A 12 -1.990 18.301 -1.067 1.00 20.44 N ATOM 162 H LYS A 12 -4.324 13.907 -1.063 1.00 43.54 H ATOM 163 HA LYS A 12 -2.691 12.158 -2.708 1.00 75.10 H ATOM 164 HB2 LYS A 12 -1.899 14.287 -0.712 1.00 52.40 H ATOM 165 HB3 LYS A 12 -0.796 13.435 -1.784 1.00 44.40 H ATOM 166 HG2 LYS A 12 -1.547 14.543 -3.660 1.00 51.31 H ATOM 167 HG3 LYS A 12 -3.104 14.941 -2.929 1.00 43.41 H ATOM 168 HD2 LYS A 12 -0.526 16.081 -1.889 1.00 3.23 H ATOM 169 HD3 LYS A 12 -1.408 16.837 -3.218 1.00 1.23 H ATOM 170 HE2 LYS A 12 -3.418 16.907 -1.734 1.00 71.51 H ATOM 171 HE3 LYS A 12 -2.397 16.341 -0.413 1.00 43.32 H ATOM 172 HZ1 LYS A 12 -1.435 18.343 -0.188 1.00 63.55 H ATOM 173 HZ2 LYS A 12 -2.825 18.913 -0.966 1.00 45.33 H ATOM 174 HZ3 LYS A 12 -1.406 18.655 -1.851 1.00 13.23 H ATOM 175 N CYS A 13 -3.271 11.533 0.364 1.00 64.41 N ATOM 176 CA CYS A 13 -3.054 10.598 1.461 1.00 22.42 C ATOM 177 C CYS A 13 -3.804 9.291 1.219 1.00 50.11 C ATOM 178 O CYS A 13 -4.300 8.664 2.155 1.00 2.22 O ATOM 179 CB CYS A 13 -3.504 11.219 2.785 1.00 70.01 C ATOM 180 SG CYS A 13 -2.370 12.488 3.435 1.00 65.44 S ATOM 181 H CYS A 13 -4.057 12.119 0.384 1.00 61.30 H ATOM 182 HA CYS A 13 -1.997 10.387 1.514 1.00 64.22 H ATOM 183 HB2 CYS A 13 -4.470 11.683 2.646 1.00 44.34 H ATOM 184 HB3 CYS A 13 -3.589 10.441 3.529 1.00 64.32 H ATOM 185 N VAL A 14 -3.883 8.886 -0.045 1.00 1.02 N ATOM 186 CA VAL A 14 -4.571 7.654 -0.411 1.00 61.11 C ATOM 187 C VAL A 14 -3.916 6.443 0.244 1.00 42.11 C ATOM 188 O VAL A 14 -4.598 5.560 0.765 1.00 0.31 O ATOM 189 CB VAL A 14 -4.586 7.452 -1.938 1.00 51.20 C ATOM 190 CG1 VAL A 14 -3.174 7.516 -2.499 1.00 62.23 C ATOM 191 CG2 VAL A 14 -5.251 6.131 -2.294 1.00 11.11 C ATOM 192 H VAL A 14 -3.468 9.429 -0.747 1.00 63.43 H ATOM 193 HA VAL A 14 -5.593 7.727 -0.069 1.00 1.54 H ATOM 194 HB VAL A 14 -5.162 8.252 -2.381 1.00 21.33 H ATOM 195 HG11 VAL A 14 -2.553 8.108 -1.843 1.00 65.23 H ATOM 196 HG12 VAL A 14 -2.771 6.517 -2.575 1.00 24.44 H ATOM 197 HG13 VAL A 14 -3.196 7.970 -3.479 1.00 53.11 H ATOM 198 HG21 VAL A 14 -4.701 5.318 -1.844 1.00 52.11 H ATOM 199 HG22 VAL A 14 -6.266 6.129 -1.924 1.00 64.41 H ATOM 200 HG23 VAL A 14 -5.259 6.009 -3.368 1.00 13.35 H ATOM 201 N CYS A 15 -2.588 6.408 0.214 1.00 22.44 N ATOM 202 CA CYS A 15 -1.838 5.305 0.805 1.00 14.41 C ATOM 203 C CYS A 15 -1.924 5.344 2.328 1.00 4.32 C ATOM 204 O CYS A 15 -1.480 4.419 3.010 1.00 51.12 O ATOM 205 CB CYS A 15 -0.375 5.362 0.364 1.00 64.24 C ATOM 206 SG CYS A 15 0.588 3.875 0.790 1.00 44.51 S ATOM 207 H CYS A 15 -2.099 7.141 -0.216 1.00 0.22 H ATOM 208 HA CYS A 15 -2.275 4.382 0.456 1.00 53.20 H ATOM 209 HB2 CYS A 15 -0.335 5.482 -0.709 1.00 63.54 H ATOM 210 HB3 CYS A 15 0.103 6.209 0.833 1.00 14.30 H ATOM 211 N LEU A 16 -2.496 6.421 2.856 1.00 75.53 N ATOM 212 CA LEU A 16 -2.641 6.581 4.298 1.00 22.15 C ATOM 213 C LEU A 16 -3.802 7.513 4.629 1.00 10.02 C ATOM 214 O LEU A 16 -3.610 8.579 5.214 1.00 4.14 O ATOM 215 CB LEU A 16 -1.346 7.126 4.903 1.00 41.51 C ATOM 216 CG LEU A 16 -0.886 8.490 4.386 1.00 13.20 C ATOM 217 CD1 LEU A 16 -0.212 9.282 5.495 1.00 23.15 C ATOM 218 CD2 LEU A 16 0.053 8.322 3.201 1.00 43.42 C ATOM 219 H LEU A 16 -2.831 7.124 2.262 1.00 44.30 H ATOM 220 HA LEU A 16 -2.844 5.608 4.721 1.00 11.32 H ATOM 221 HB2 LEU A 16 -1.488 7.208 5.970 1.00 44.15 H ATOM 222 HB3 LEU A 16 -0.560 6.412 4.699 1.00 14.54 H ATOM 223 HG LEU A 16 -1.749 9.051 4.053 1.00 2.44 H ATOM 224 HD11 LEU A 16 -0.950 9.584 6.222 1.00 13.51 H ATOM 225 HD12 LEU A 16 0.261 10.158 5.076 1.00 21.33 H ATOM 226 HD13 LEU A 16 0.535 8.665 5.975 1.00 54.21 H ATOM 227 HD21 LEU A 16 -0.217 9.024 2.425 1.00 24.35 H ATOM 228 HD22 LEU A 16 -0.026 7.315 2.819 1.00 2.13 H ATOM 229 HD23 LEU A 16 1.069 8.508 3.518 1.00 43.30 H ATOM 230 N LYS A 17 -5.009 7.103 4.253 1.00 45.34 N ATOM 231 CA LYS A 17 -6.203 7.899 4.512 1.00 63.23 C ATOM 232 C LYS A 17 -6.217 8.406 5.950 1.00 42.50 C ATOM 233 O LYS A 17 -6.836 9.427 6.254 1.00 43.04 O ATOM 234 CB LYS A 17 -7.461 7.071 4.239 1.00 1.24 C ATOM 235 CG LYS A 17 -7.547 5.803 5.071 1.00 3.22 C ATOM 236 CD LYS A 17 -8.634 5.902 6.128 1.00 2.21 C ATOM 237 CE LYS A 17 -8.814 4.585 6.868 1.00 42.35 C ATOM 238 NZ LYS A 17 -10.180 4.455 7.445 1.00 55.45 N ATOM 239 H LYS A 17 -5.098 6.244 3.789 1.00 32.55 H ATOM 240 HA LYS A 17 -6.188 8.746 3.844 1.00 51.55 H ATOM 241 HB2 LYS A 17 -8.329 7.677 4.454 1.00 70.04 H ATOM 242 HB3 LYS A 17 -7.475 6.793 3.195 1.00 13.32 H ATOM 243 HG2 LYS A 17 -7.767 4.970 4.420 1.00 15.51 H ATOM 244 HG3 LYS A 17 -6.596 5.639 5.559 1.00 34.13 H ATOM 245 HD2 LYS A 17 -8.363 6.668 6.840 1.00 32.42 H ATOM 246 HD3 LYS A 17 -9.566 6.167 5.649 1.00 32.34 H ATOM 247 HE2 LYS A 17 -8.646 3.774 6.177 1.00 65.44 H ATOM 248 HE3 LYS A 17 -8.089 4.534 7.666 1.00 4.22 H ATOM 249 HZ1 LYS A 17 -10.216 3.650 8.101 1.00 34.12 H ATOM 250 HZ2 LYS A 17 -10.875 4.302 6.686 1.00 72.12 H ATOM 251 HZ3 LYS A 17 -10.434 5.322 7.961 1.00 71.41 H ATOM 252 N THR A 18 -5.529 7.689 6.833 1.00 35.31 N ATOM 253 CA THR A 18 -5.463 8.067 8.239 1.00 21.40 C ATOM 254 C THR A 18 -4.424 9.159 8.466 1.00 15.30 C ATOM 255 O THR A 18 -3.801 9.227 9.526 1.00 41.03 O ATOM 256 CB THR A 18 -5.122 6.857 9.130 1.00 12.33 C ATOM 257 OG1 THR A 18 -5.339 7.187 10.507 1.00 74.42 O ATOM 258 CG2 THR A 18 -3.677 6.426 8.929 1.00 52.54 C ATOM 259 H THR A 18 -5.057 6.885 6.530 1.00 10.42 H ATOM 260 HA THR A 18 -6.434 8.440 8.530 1.00 21.25 H ATOM 261 HB THR A 18 -5.769 6.035 8.858 1.00 2.31 H ATOM 262 HG1 THR A 18 -5.985 6.583 10.882 1.00 31.03 H ATOM 263 HG21 THR A 18 -3.633 5.352 8.832 1.00 4.24 H ATOM 264 HG22 THR A 18 -3.087 6.736 9.778 1.00 11.34 H ATOM 265 HG23 THR A 18 -3.287 6.885 8.032 1.00 3.04 H ATOM 266 N CYS A 19 -4.243 10.014 7.465 1.00 55.10 N ATOM 267 CA CYS A 19 -3.280 11.105 7.555 1.00 75.01 C ATOM 268 C CYS A 19 -3.461 11.885 8.854 1.00 35.42 C ATOM 269 O CYS A 19 -4.445 12.604 9.025 1.00 15.43 O ATOM 270 CB CYS A 19 -3.431 12.046 6.358 1.00 64.33 C ATOM 271 SG CYS A 19 -1.934 12.185 5.329 1.00 63.41 S ATOM 272 H CYS A 19 -4.771 9.909 6.644 1.00 24.35 H ATOM 273 HA CYS A 19 -2.290 10.676 7.542 1.00 33.42 H ATOM 274 HB2 CYS A 19 -4.230 11.687 5.726 1.00 73.00 H ATOM 275 HB3 CYS A 19 -3.677 13.034 6.715 1.00 14.42 H TER 276 CYS A 19 ENDMDL MODEL 4 ATOM 1 N ASP A 1 -1.354 1.081 0.452 1.00 62.22 N ATOM 2 CA ASP A 1 -0.181 1.128 -0.414 1.00 11.23 C ATOM 3 C ASP A 1 -0.177 2.402 -1.254 1.00 23.34 C ATOM 4 O ASP A 1 -1.228 2.880 -1.680 1.00 40.42 O ATOM 5 CB ASP A 1 -0.144 -0.099 -1.326 1.00 22.14 C ATOM 6 CG ASP A 1 -1.514 -0.463 -1.863 1.00 0.10 C ATOM 7 OD1 ASP A 1 -1.886 0.055 -2.936 1.00 74.24 O ATOM 8 OD2 ASP A 1 -2.214 -1.265 -1.210 1.00 13.34 O ATOM 9 H1 ASP A 1 -2.246 1.163 0.054 1.00 42.15 H ATOM 10 HA ASP A 1 0.696 1.124 0.216 1.00 50.34 H ATOM 11 HB2 ASP A 1 0.509 0.102 -2.163 1.00 13.02 H ATOM 12 HB3 ASP A 1 0.240 -0.941 -0.769 1.00 64.32 H ATOM 13 N CYS A 2 1.013 2.947 -1.487 1.00 34.44 N ATOM 14 CA CYS A 2 1.155 4.165 -2.274 1.00 11.31 C ATOM 15 C CYS A 2 1.040 3.866 -3.766 1.00 24.32 C ATOM 16 O CYS A 2 1.323 2.759 -4.226 1.00 4.23 O ATOM 17 CB CYS A 2 2.499 4.834 -1.979 1.00 11.25 C ATOM 18 SG CYS A 2 2.895 4.955 -0.205 1.00 23.14 S ATOM 19 H CYS A 2 1.815 2.518 -1.120 1.00 3.43 H ATOM 20 HA CYS A 2 0.359 4.837 -1.992 1.00 53.32 H ATOM 21 HB2 CYS A 2 3.287 4.266 -2.452 1.00 55.54 H ATOM 22 HB3 CYS A 2 2.491 5.835 -2.383 1.00 54.41 H ATOM 23 N PRO A 3 0.616 4.875 -4.541 1.00 33.41 N ATOM 24 CA PRO A 3 0.455 4.744 -5.992 1.00 53.31 C ATOM 25 C PRO A 3 1.792 4.622 -6.715 1.00 53.00 C ATOM 26 O PRO A 3 2.857 4.860 -6.145 1.00 71.42 O ATOM 27 CB PRO A 3 -0.251 6.044 -6.389 1.00 22.42 C ATOM 28 CG PRO A 3 0.126 7.019 -5.328 1.00 25.34 C ATOM 29 CD PRO A 3 0.260 6.220 -4.060 1.00 45.43 C ATOM 30 HA PRO A 3 -0.170 3.901 -6.248 1.00 20.12 H ATOM 31 HB2 PRO A 3 0.097 6.362 -7.361 1.00 51.53 H ATOM 32 HB3 PRO A 3 -1.318 5.884 -6.416 1.00 72.14 H ATOM 33 HG2 PRO A 3 1.066 7.487 -5.577 1.00 3.32 H ATOM 34 HG3 PRO A 3 -0.649 7.763 -5.221 1.00 21.10 H ATOM 35 HD2 PRO A 3 1.044 6.627 -3.439 1.00 44.50 H ATOM 36 HD3 PRO A 3 -0.677 6.203 -3.525 1.00 32.34 H ATOM 37 N PRO A 4 1.738 4.243 -8.001 1.00 12.05 N ATOM 38 CA PRO A 4 2.936 4.082 -8.829 1.00 62.32 C ATOM 39 C PRO A 4 3.604 5.415 -9.148 1.00 71.14 C ATOM 40 O PRO A 4 4.822 5.555 -9.031 1.00 72.50 O ATOM 41 CB PRO A 4 2.399 3.433 -10.107 1.00 51.14 C ATOM 42 CG PRO A 4 0.969 3.848 -10.170 1.00 63.45 C ATOM 43 CD PRO A 4 0.503 3.943 -8.744 1.00 54.32 C ATOM 44 HA PRO A 4 3.655 3.423 -8.364 1.00 34.12 H ATOM 45 HB2 PRO A 4 2.955 3.797 -10.960 1.00 12.40 H ATOM 46 HB3 PRO A 4 2.496 2.360 -10.039 1.00 51.12 H ATOM 47 HG2 PRO A 4 0.886 4.807 -10.657 1.00 43.24 H ATOM 48 HG3 PRO A 4 0.395 3.104 -10.703 1.00 61.11 H ATOM 49 HD2 PRO A 4 -0.216 4.742 -8.635 1.00 75.52 H ATOM 50 HD3 PRO A 4 0.078 3.004 -8.422 1.00 60.23 H ATOM 51 N HIS A 5 2.799 6.393 -9.552 1.00 63.13 N ATOM 52 CA HIS A 5 3.313 7.716 -9.888 1.00 1.25 C ATOM 53 C HIS A 5 2.848 8.753 -8.870 1.00 53.50 C ATOM 54 O HIS A 5 1.839 8.579 -8.186 1.00 72.23 O ATOM 55 CB HIS A 5 2.860 8.122 -11.290 1.00 63.04 C ATOM 56 CG HIS A 5 1.420 7.818 -11.566 1.00 71.02 C ATOM 57 ND1 HIS A 5 0.381 8.559 -11.043 1.00 71.35 N ATOM 58 CD2 HIS A 5 0.848 6.848 -12.317 1.00 31.43 C ATOM 59 CE1 HIS A 5 -0.768 8.056 -11.459 1.00 41.00 C ATOM 60 NE2 HIS A 5 -0.512 7.017 -12.234 1.00 13.14 N ATOM 61 H HIS A 5 1.838 6.221 -9.626 1.00 73.41 H ATOM 62 HA HIS A 5 4.391 7.668 -9.867 1.00 2.44 H ATOM 63 HB2 HIS A 5 3.004 9.185 -11.414 1.00 40.24 H ATOM 64 HB3 HIS A 5 3.457 7.595 -12.021 1.00 3.21 H ATOM 65 HD1 HIS A 5 0.472 9.336 -10.454 1.00 61.13 H ATOM 66 HD2 HIS A 5 1.365 6.081 -12.877 1.00 53.01 H ATOM 67 HE1 HIS A 5 -1.749 8.430 -11.209 1.00 53.41 H ATOM 68 N PRO A 6 3.599 9.859 -8.765 1.00 43.54 N ATOM 69 CA PRO A 6 3.283 10.946 -7.834 1.00 3.22 C ATOM 70 C PRO A 6 2.033 11.716 -8.244 1.00 51.53 C ATOM 71 O PRO A 6 1.313 11.310 -9.157 1.00 0.42 O ATOM 72 CB PRO A 6 4.517 11.849 -7.910 1.00 51.25 C ATOM 73 CG PRO A 6 5.099 11.582 -9.255 1.00 61.44 C ATOM 74 CD PRO A 6 4.815 10.134 -9.549 1.00 44.40 C ATOM 75 HA PRO A 6 3.164 10.581 -6.824 1.00 45.21 H ATOM 76 HB2 PRO A 6 4.217 12.883 -7.807 1.00 74.55 H ATOM 77 HB3 PRO A 6 5.208 11.589 -7.123 1.00 34.14 H ATOM 78 HG2 PRO A 6 4.627 12.213 -9.992 1.00 41.43 H ATOM 79 HG3 PRO A 6 6.165 11.758 -9.235 1.00 75.43 H ATOM 80 HD2 PRO A 6 4.635 9.992 -10.604 1.00 73.21 H ATOM 81 HD3 PRO A 6 5.635 9.514 -9.217 1.00 42.45 H ATOM 82 N VAL A 7 1.780 12.831 -7.565 1.00 62.21 N ATOM 83 CA VAL A 7 0.617 13.659 -7.861 1.00 2.15 C ATOM 84 C VAL A 7 -0.658 12.824 -7.893 1.00 50.23 C ATOM 85 O VAL A 7 -1.185 12.491 -8.955 1.00 43.52 O ATOM 86 CB VAL A 7 0.775 14.388 -9.208 1.00 41.21 C ATOM 87 CG1 VAL A 7 -0.455 15.231 -9.507 1.00 34.21 C ATOM 88 CG2 VAL A 7 2.031 15.246 -9.205 1.00 42.30 C ATOM 89 H VAL A 7 2.391 13.103 -6.849 1.00 31.33 H ATOM 90 HA VAL A 7 0.530 14.402 -7.081 1.00 53.12 H ATOM 91 HB VAL A 7 0.874 13.646 -9.987 1.00 35.04 H ATOM 92 HG11 VAL A 7 -0.929 14.869 -10.408 1.00 20.23 H ATOM 93 HG12 VAL A 7 -1.149 15.162 -8.681 1.00 64.24 H ATOM 94 HG13 VAL A 7 -0.161 16.261 -9.645 1.00 71.11 H ATOM 95 HG21 VAL A 7 1.986 15.955 -10.019 1.00 31.52 H ATOM 96 HG22 VAL A 7 2.101 15.778 -8.268 1.00 33.13 H ATOM 97 HG23 VAL A 7 2.900 14.615 -9.326 1.00 34.23 H ATOM 98 N PRO A 8 -1.168 12.477 -6.703 1.00 35.24 N ATOM 99 CA PRO A 8 -2.389 11.677 -6.568 1.00 35.13 C ATOM 100 C PRO A 8 -3.637 12.447 -6.987 1.00 44.54 C ATOM 101 O PRO A 8 -3.545 13.544 -7.537 1.00 42.15 O ATOM 102 CB PRO A 8 -2.439 11.354 -5.072 1.00 65.12 C ATOM 103 CG PRO A 8 -1.672 12.453 -4.422 1.00 1.31 C ATOM 104 CD PRO A 8 -0.593 12.839 -5.396 1.00 72.42 C ATOM 105 HA PRO A 8 -2.327 10.759 -7.134 1.00 52.20 H ATOM 106 HB2 PRO A 8 -3.467 11.337 -4.739 1.00 24.04 H ATOM 107 HB3 PRO A 8 -1.980 10.393 -4.893 1.00 10.25 H ATOM 108 HG2 PRO A 8 -2.323 13.293 -4.232 1.00 71.21 H ATOM 109 HG3 PRO A 8 -1.235 12.100 -3.500 1.00 25.22 H ATOM 110 HD2 PRO A 8 -0.397 13.899 -5.342 1.00 3.13 H ATOM 111 HD3 PRO A 8 0.308 12.276 -5.203 1.00 61.54 H ATOM 112 N GLY A 9 -4.803 11.866 -6.724 1.00 0.05 N ATOM 113 CA GLY A 9 -6.052 12.513 -7.081 1.00 1.04 C ATOM 114 C GLY A 9 -6.576 13.411 -5.978 1.00 3.15 C ATOM 115 O GLY A 9 -5.821 14.180 -5.383 1.00 43.02 O ATOM 116 H GLY A 9 -4.815 10.991 -6.283 1.00 33.41 H ATOM 117 HA2 GLY A 9 -5.896 13.105 -7.970 1.00 15.52 H ATOM 118 HA3 GLY A 9 -6.790 11.753 -7.291 1.00 53.10 H ATOM 119 N MET A 10 -7.873 13.315 -5.704 1.00 42.13 N ATOM 120 CA MET A 10 -8.497 14.126 -4.665 1.00 44.32 C ATOM 121 C MET A 10 -7.773 13.954 -3.333 1.00 41.25 C ATOM 122 O MET A 10 -7.033 14.838 -2.899 1.00 34.32 O ATOM 123 CB MET A 10 -9.971 13.749 -4.510 1.00 51.13 C ATOM 124 CG MET A 10 -10.860 14.310 -5.608 1.00 74.43 C ATOM 125 SD MET A 10 -11.413 15.991 -5.264 1.00 42.10 S ATOM 126 CE MET A 10 -13.154 15.864 -5.663 1.00 72.22 C ATOM 127 H MET A 10 -8.424 12.684 -6.212 1.00 61.44 H ATOM 128 HA MET A 10 -8.429 15.161 -4.967 1.00 62.54 H ATOM 129 HB2 MET A 10 -10.058 12.673 -4.520 1.00 71.15 H ATOM 130 HB3 MET A 10 -10.329 14.122 -3.562 1.00 44.42 H ATOM 131 HG2 MET A 10 -10.308 14.311 -6.536 1.00 24.11 H ATOM 132 HG3 MET A 10 -11.727 13.674 -5.709 1.00 74.34 H ATOM 133 HE1 MET A 10 -13.742 16.132 -4.797 1.00 72.23 H ATOM 134 HE2 MET A 10 -13.387 16.534 -6.478 1.00 20.43 H ATOM 135 HE3 MET A 10 -13.383 14.849 -5.955 1.00 12.45 H ATOM 136 N HIS A 11 -7.991 12.812 -2.690 1.00 20.32 N ATOM 137 CA HIS A 11 -7.359 12.524 -1.407 1.00 41.31 C ATOM 138 C HIS A 11 -5.887 12.168 -1.594 1.00 51.53 C ATOM 139 O HIS A 11 -5.550 11.033 -1.930 1.00 25.14 O ATOM 140 CB HIS A 11 -8.086 11.380 -0.701 1.00 75.32 C ATOM 141 CG HIS A 11 -9.578 11.519 -0.715 1.00 4.35 C ATOM 142 ND1 HIS A 11 -10.223 12.717 -0.489 1.00 75.50 N ATOM 143 CD2 HIS A 11 -10.551 10.603 -0.930 1.00 3.31 C ATOM 144 CE1 HIS A 11 -11.529 12.531 -0.563 1.00 73.33 C ATOM 145 NE2 HIS A 11 -11.754 11.257 -0.830 1.00 73.23 N ATOM 146 H HIS A 11 -8.591 12.147 -3.087 1.00 64.51 H ATOM 147 HA HIS A 11 -7.427 13.413 -0.798 1.00 23.55 H ATOM 148 HB2 HIS A 11 -7.837 10.449 -1.188 1.00 63.41 H ATOM 149 HB3 HIS A 11 -7.765 11.339 0.330 1.00 74.13 H ATOM 150 HD1 HIS A 11 -9.789 13.574 -0.301 1.00 14.32 H ATOM 151 HD2 HIS A 11 -10.408 9.553 -1.141 1.00 22.44 H ATOM 152 HE1 HIS A 11 -12.285 13.290 -0.429 1.00 42.33 H ATOM 153 N LYS A 12 -5.015 13.147 -1.376 1.00 64.44 N ATOM 154 CA LYS A 12 -3.579 12.938 -1.520 1.00 62.13 C ATOM 155 C LYS A 12 -3.054 12.002 -0.437 1.00 22.53 C ATOM 156 O LYS A 12 -1.926 11.513 -0.517 1.00 34.30 O ATOM 157 CB LYS A 12 -2.839 14.276 -1.455 1.00 50.01 C ATOM 158 CG LYS A 12 -3.395 15.325 -2.403 1.00 1.15 C ATOM 159 CD LYS A 12 -2.435 16.492 -2.568 1.00 33.42 C ATOM 160 CE LYS A 12 -2.944 17.736 -1.857 1.00 4.42 C ATOM 161 NZ LYS A 12 -2.342 18.979 -2.416 1.00 35.12 N ATOM 162 H LYS A 12 -5.345 14.031 -1.111 1.00 42.12 H ATOM 163 HA LYS A 12 -3.404 12.486 -2.485 1.00 51.30 H ATOM 164 HB2 LYS A 12 -2.903 14.660 -0.448 1.00 11.51 H ATOM 165 HB3 LYS A 12 -1.800 14.112 -1.703 1.00 72.31 H ATOM 166 HG2 LYS A 12 -3.563 14.872 -3.368 1.00 53.12 H ATOM 167 HG3 LYS A 12 -4.331 15.694 -2.008 1.00 21.25 H ATOM 168 HD2 LYS A 12 -1.477 16.220 -2.152 1.00 65.21 H ATOM 169 HD3 LYS A 12 -2.325 16.709 -3.621 1.00 24.11 H ATOM 170 HE2 LYS A 12 -4.016 17.785 -1.966 1.00 71.02 H ATOM 171 HE3 LYS A 12 -2.692 17.664 -0.809 1.00 44.50 H ATOM 172 HZ1 LYS A 12 -3.082 19.691 -2.581 1.00 10.01 H ATOM 173 HZ2 LYS A 12 -1.868 18.771 -3.318 1.00 52.30 H ATOM 174 HZ3 LYS A 12 -1.643 19.368 -1.752 1.00 35.15 H ATOM 175 N CYS A 13 -3.878 11.754 0.576 1.00 53.34 N ATOM 176 CA CYS A 13 -3.498 10.876 1.675 1.00 32.31 C ATOM 177 C CYS A 13 -3.974 9.448 1.420 1.00 13.43 C ATOM 178 O CYS A 13 -4.349 8.732 2.349 1.00 54.32 O ATOM 179 CB CYS A 13 -4.080 11.392 2.993 1.00 74.44 C ATOM 180 SG CYS A 13 -3.230 12.859 3.657 1.00 24.24 S ATOM 181 H CYS A 13 -4.765 12.174 0.584 1.00 71.41 H ATOM 182 HA CYS A 13 -2.421 10.876 1.743 1.00 31.11 H ATOM 183 HB2 CYS A 13 -5.117 11.655 2.840 1.00 31.14 H ATOM 184 HB3 CYS A 13 -4.018 10.610 3.735 1.00 13.13 H ATOM 185 N VAL A 14 -3.956 9.041 0.155 1.00 1.30 N ATOM 186 CA VAL A 14 -4.384 7.700 -0.223 1.00 20.32 C ATOM 187 C VAL A 14 -3.512 6.638 0.438 1.00 44.22 C ATOM 188 O VAL A 14 -4.013 5.636 0.948 1.00 13.23 O ATOM 189 CB VAL A 14 -4.341 7.506 -1.750 1.00 40.22 C ATOM 190 CG1 VAL A 14 -2.963 7.851 -2.294 1.00 0.42 C ATOM 191 CG2 VAL A 14 -4.726 6.081 -2.117 1.00 54.13 C ATOM 192 H VAL A 14 -3.646 9.658 -0.541 1.00 33.11 H ATOM 193 HA VAL A 14 -5.405 7.570 0.107 1.00 65.40 H ATOM 194 HB VAL A 14 -5.059 8.178 -2.198 1.00 62.42 H ATOM 195 HG11 VAL A 14 -3.064 8.297 -3.273 1.00 22.04 H ATOM 196 HG12 VAL A 14 -2.477 8.549 -1.627 1.00 71.05 H ATOM 197 HG13 VAL A 14 -2.370 6.952 -2.368 1.00 60.43 H ATOM 198 HG21 VAL A 14 -4.703 5.967 -3.191 1.00 35.43 H ATOM 199 HG22 VAL A 14 -4.028 5.393 -1.666 1.00 64.41 H ATOM 200 HG23 VAL A 14 -5.722 5.872 -1.754 1.00 55.14 H ATOM 201 N CYS A 15 -2.202 6.864 0.425 1.00 53.41 N ATOM 202 CA CYS A 15 -1.258 5.928 1.023 1.00 51.14 C ATOM 203 C CYS A 15 -1.364 5.946 2.545 1.00 43.32 C ATOM 204 O CYS A 15 -0.750 5.127 3.231 1.00 54.33 O ATOM 205 CB CYS A 15 0.171 6.270 0.595 1.00 32.34 C ATOM 206 SG CYS A 15 1.396 4.985 1.004 1.00 2.31 S ATOM 207 H CYS A 15 -1.862 7.682 0.003 1.00 70.34 H ATOM 208 HA CYS A 15 -1.503 4.938 0.669 1.00 52.20 H ATOM 209 HB2 CYS A 15 0.193 6.415 -0.475 1.00 2.21 H ATOM 210 HB3 CYS A 15 0.476 7.183 1.084 1.00 13.30 H ATOM 211 N LEU A 16 -2.145 6.885 3.067 1.00 53.13 N ATOM 212 CA LEU A 16 -2.332 7.011 4.508 1.00 35.30 C ATOM 213 C LEU A 16 -3.659 7.693 4.827 1.00 22.05 C ATOM 214 O LEU A 16 -3.688 8.774 5.417 1.00 64.33 O ATOM 215 CB LEU A 16 -1.177 7.801 5.125 1.00 15.22 C ATOM 216 CG LEU A 16 -0.994 9.231 4.614 1.00 62.40 C ATOM 217 CD1 LEU A 16 -0.500 10.137 5.730 1.00 0.45 C ATOM 218 CD2 LEU A 16 -0.029 9.256 3.437 1.00 11.44 C ATOM 219 H LEU A 16 -2.608 7.509 2.470 1.00 70.13 H ATOM 220 HA LEU A 16 -2.343 6.016 4.929 1.00 44.24 H ATOM 221 HB2 LEU A 16 -1.342 7.850 6.190 1.00 33.05 H ATOM 222 HB3 LEU A 16 -0.264 7.258 4.928 1.00 1.34 H ATOM 223 HG LEU A 16 -1.948 9.610 4.274 1.00 63.00 H ATOM 224 HD11 LEU A 16 0.351 9.682 6.214 1.00 41.31 H ATOM 225 HD12 LEU A 16 -1.290 10.282 6.453 1.00 62.13 H ATOM 226 HD13 LEU A 16 -0.212 11.093 5.317 1.00 22.11 H ATOM 227 HD21 LEU A 16 -0.250 10.107 2.810 1.00 62.24 H ATOM 228 HD22 LEU A 16 -0.137 8.347 2.864 1.00 10.41 H ATOM 229 HD23 LEU A 16 0.984 9.332 3.805 1.00 43.15 H ATOM 230 N LYS A 17 -4.756 7.054 4.437 1.00 72.13 N ATOM 231 CA LYS A 17 -6.087 7.596 4.684 1.00 41.12 C ATOM 232 C LYS A 17 -6.216 8.086 6.123 1.00 74.43 C ATOM 233 O LYS A 17 -7.028 8.962 6.421 1.00 12.30 O ATOM 234 CB LYS A 17 -7.153 6.537 4.396 1.00 32.34 C ATOM 235 CG LYS A 17 -6.995 5.274 5.226 1.00 71.04 C ATOM 236 CD LYS A 17 -7.911 4.166 4.734 1.00 62.42 C ATOM 237 CE LYS A 17 -9.341 4.374 5.207 1.00 74.24 C ATOM 238 NZ LYS A 17 -9.736 3.374 6.237 1.00 72.31 N ATOM 239 H LYS A 17 -4.669 6.195 3.971 1.00 2.30 H ATOM 240 HA LYS A 17 -6.234 8.432 4.017 1.00 5.32 H ATOM 241 HB2 LYS A 17 -8.126 6.958 4.602 1.00 74.33 H ATOM 242 HB3 LYS A 17 -7.101 6.265 3.352 1.00 51.02 H ATOM 243 HG2 LYS A 17 -5.971 4.936 5.159 1.00 15.33 H ATOM 244 HG3 LYS A 17 -7.236 5.498 6.255 1.00 33.21 H ATOM 245 HD2 LYS A 17 -7.899 4.153 3.654 1.00 21.21 H ATOM 246 HD3 LYS A 17 -7.550 3.219 5.111 1.00 73.11 H ATOM 247 HE2 LYS A 17 -9.427 5.364 5.627 1.00 73.00 H ATOM 248 HE3 LYS A 17 -10.003 4.284 4.358 1.00 55.41 H ATOM 249 HZ1 LYS A 17 -9.702 3.803 7.183 1.00 34.04 H ATOM 250 HZ2 LYS A 17 -9.087 2.561 6.213 1.00 52.22 H ATOM 251 HZ3 LYS A 17 -10.703 3.036 6.055 1.00 2.02 H ATOM 252 N THR A 18 -5.410 7.515 7.012 1.00 21.32 N ATOM 253 CA THR A 18 -5.434 7.893 8.419 1.00 12.14 C ATOM 254 C THR A 18 -4.636 9.169 8.660 1.00 43.25 C ATOM 255 O THR A 18 -4.049 9.355 9.726 1.00 43.11 O ATOM 256 CB THR A 18 -4.870 6.772 9.312 1.00 3.14 C ATOM 257 OG1 THR A 18 -5.162 7.047 10.687 1.00 22.10 O ATOM 258 CG2 THR A 18 -3.366 6.637 9.125 1.00 31.24 C ATOM 259 H THR A 18 -4.785 6.822 6.713 1.00 24.03 H ATOM 260 HA THR A 18 -6.463 8.065 8.701 1.00 50.22 H ATOM 261 HB THR A 18 -5.338 5.839 9.032 1.00 1.32 H ATOM 262 HG1 THR A 18 -4.580 6.528 11.248 1.00 42.31 H ATOM 263 HG21 THR A 18 -2.859 7.048 9.985 1.00 64.11 H ATOM 264 HG22 THR A 18 -3.064 7.174 8.238 1.00 22.34 H ATOM 265 HG23 THR A 18 -3.109 5.593 9.020 1.00 0.32 H ATOM 266 N CYS A 19 -4.618 10.047 7.662 1.00 21.10 N ATOM 267 CA CYS A 19 -3.891 11.307 7.764 1.00 35.23 C ATOM 268 C CYS A 19 -4.237 12.030 9.063 1.00 53.34 C ATOM 269 O CYS A 19 -3.373 12.249 9.912 1.00 71.33 O ATOM 270 CB CYS A 19 -4.213 12.203 6.567 1.00 44.42 C ATOM 271 SG CYS A 19 -2.762 12.642 5.556 1.00 3.45 S ATOM 272 H CYS A 19 -5.105 9.842 6.836 1.00 54.32 H ATOM 273 HA CYS A 19 -2.836 11.082 7.762 1.00 43.50 H ATOM 274 HB2 CYS A 19 -4.917 11.695 5.925 1.00 72.21 H ATOM 275 HB3 CYS A 19 -4.656 13.121 6.923 1.00 41.51 H TER 276 CYS A 19 ENDMDL MODEL 5 ATOM 1 N ASP A 1 -0.462 1.495 1.167 1.00 13.31 N ATOM 2 CA ASP A 1 -0.496 1.215 -0.264 1.00 31.24 C ATOM 3 C ASP A 1 -0.449 2.508 -1.072 1.00 72.41 C ATOM 4 O ASP A 1 -1.480 3.131 -1.327 1.00 32.12 O ATOM 5 CB ASP A 1 -1.754 0.421 -0.620 1.00 11.32 C ATOM 6 CG ASP A 1 -2.080 -0.641 0.412 1.00 60.04 C ATOM 7 OD1 ASP A 1 -1.510 -1.749 0.323 1.00 12.01 O ATOM 8 OD2 ASP A 1 -2.904 -0.364 1.308 1.00 72.23 O ATOM 9 H1 ASP A 1 -0.584 0.758 1.802 1.00 51.31 H ATOM 10 HA ASP A 1 0.373 0.622 -0.506 1.00 31.11 H ATOM 11 HB2 ASP A 1 -2.593 1.099 -0.688 1.00 5.32 H ATOM 12 HB3 ASP A 1 -1.609 -0.062 -1.575 1.00 3.23 H ATOM 13 N CYS A 2 0.754 2.906 -1.472 1.00 72.12 N ATOM 14 CA CYS A 2 0.937 4.125 -2.250 1.00 54.03 C ATOM 15 C CYS A 2 0.840 3.836 -3.746 1.00 23.45 C ATOM 16 O CYS A 2 1.106 2.725 -4.207 1.00 14.24 O ATOM 17 CB CYS A 2 2.290 4.762 -1.929 1.00 61.11 C ATOM 18 SG CYS A 2 2.661 4.862 -0.148 1.00 53.23 S ATOM 19 H CYS A 2 1.539 2.366 -1.238 1.00 12.40 H ATOM 20 HA CYS A 2 0.151 4.813 -1.978 1.00 40.43 H ATOM 21 HB2 CYS A 2 3.072 4.180 -2.394 1.00 65.04 H ATOM 22 HB3 CYS A 2 2.310 5.766 -2.327 1.00 24.32 H ATOM 23 N PRO A 3 0.452 4.858 -4.522 1.00 72.22 N ATOM 24 CA PRO A 3 0.312 4.738 -5.977 1.00 3.54 C ATOM 25 C PRO A 3 1.658 4.589 -6.678 1.00 1.13 C ATOM 26 O PRO A 3 2.719 4.800 -6.089 1.00 73.11 O ATOM 27 CB PRO A 3 -0.357 6.056 -6.378 1.00 25.50 C ATOM 28 CG PRO A 3 0.025 7.016 -5.305 1.00 41.54 C ATOM 29 CD PRO A 3 0.119 6.209 -4.040 1.00 45.04 C ATOM 30 HA PRO A 3 -0.327 3.911 -6.247 1.00 71.02 H ATOM 31 HB2 PRO A 3 0.015 6.371 -7.343 1.00 13.21 H ATOM 32 HB3 PRO A 3 -1.427 5.921 -6.424 1.00 64.43 H ATOM 33 HG2 PRO A 3 0.979 7.465 -5.536 1.00 64.44 H ATOM 34 HG3 PRO A 3 -0.735 7.778 -5.208 1.00 22.32 H ATOM 35 HD2 PRO A 3 0.902 6.595 -3.404 1.00 30.10 H ATOM 36 HD3 PRO A 3 -0.827 6.210 -3.521 1.00 12.25 H ATOM 37 N PRO A 4 1.617 4.217 -7.966 1.00 1.22 N ATOM 38 CA PRO A 4 2.825 4.032 -8.775 1.00 43.42 C ATOM 39 C PRO A 4 3.528 5.352 -9.077 1.00 23.52 C ATOM 40 O PRO A 4 4.749 5.457 -8.958 1.00 4.23 O ATOM 41 CB PRO A 4 2.295 3.402 -10.065 1.00 70.13 C ATOM 42 CG PRO A 4 0.876 3.849 -10.150 1.00 64.01 C ATOM 43 CD PRO A 4 0.388 3.949 -8.731 1.00 62.14 C ATOM 44 HA PRO A 4 3.521 3.355 -8.301 1.00 52.41 H ATOM 45 HB2 PRO A 4 2.873 3.757 -10.907 1.00 1.33 H ATOM 46 HB3 PRO A 4 2.367 2.327 -10.001 1.00 34.44 H ATOM 47 HG2 PRO A 4 0.823 4.812 -10.634 1.00 2.43 H ATOM 48 HG3 PRO A 4 0.295 3.121 -10.696 1.00 35.12 H ATOM 49 HD2 PRO A 4 -0.314 4.763 -8.630 1.00 74.35 H ATOM 50 HD3 PRO A 4 -0.063 3.018 -8.421 1.00 61.21 H ATOM 51 N HIS A 5 2.750 6.356 -9.468 1.00 20.24 N ATOM 52 CA HIS A 5 3.299 7.669 -9.785 1.00 52.43 C ATOM 53 C HIS A 5 2.844 8.709 -8.765 1.00 44.25 C ATOM 54 O HIS A 5 1.824 8.552 -8.095 1.00 54.13 O ATOM 55 CB HIS A 5 2.874 8.097 -11.191 1.00 31.44 C ATOM 56 CG HIS A 5 1.433 7.821 -11.490 1.00 54.22 C ATOM 57 ND1 HIS A 5 0.399 8.575 -10.975 1.00 4.02 N ATOM 58 CD2 HIS A 5 0.854 6.869 -12.259 1.00 24.11 C ATOM 59 CE1 HIS A 5 -0.752 8.097 -11.412 1.00 50.21 C ATOM 60 NE2 HIS A 5 -0.504 7.062 -12.194 1.00 24.24 N ATOM 61 H HIS A 5 1.784 6.210 -9.544 1.00 2.04 H ATOM 62 HA HIS A 5 4.375 7.596 -9.751 1.00 2.21 H ATOM 63 HB2 HIS A 5 3.038 9.158 -11.302 1.00 4.20 H ATOM 64 HB3 HIS A 5 3.472 7.566 -11.918 1.00 1.25 H ATOM 65 HD1 HIS A 5 0.496 9.344 -10.376 1.00 53.53 H ATOM 66 HD2 HIS A 5 1.366 6.099 -12.820 1.00 33.02 H ATOM 67 HE1 HIS A 5 -1.730 8.487 -11.172 1.00 71.54 H ATOM 68 N PRO A 6 3.619 9.797 -8.643 1.00 43.13 N ATOM 69 CA PRO A 6 3.316 10.884 -7.707 1.00 63.31 C ATOM 70 C PRO A 6 2.089 11.685 -8.127 1.00 33.14 C ATOM 71 O PRO A 6 1.371 11.302 -9.051 1.00 31.04 O ATOM 72 CB PRO A 6 4.571 11.759 -7.762 1.00 13.31 C ATOM 73 CG PRO A 6 5.163 11.489 -9.102 1.00 22.22 C ATOM 74 CD PRO A 6 4.851 10.051 -9.410 1.00 73.41 C ATOM 75 HA PRO A 6 3.177 10.514 -6.702 1.00 21.13 H ATOM 76 HB2 PRO A 6 4.292 12.798 -7.654 1.00 45.35 H ATOM 77 HB3 PRO A 6 5.246 11.478 -6.968 1.00 32.41 H ATOM 78 HG2 PRO A 6 4.714 12.136 -9.839 1.00 44.53 H ATOM 79 HG3 PRO A 6 6.232 11.641 -9.068 1.00 31.44 H ATOM 80 HD2 PRO A 6 4.680 9.920 -10.468 1.00 73.03 H ATOM 81 HD3 PRO A 6 5.652 9.410 -9.074 1.00 23.35 H ATOM 82 N VAL A 7 1.853 12.800 -7.442 1.00 32.41 N ATOM 83 CA VAL A 7 0.712 13.656 -7.745 1.00 4.12 C ATOM 84 C VAL A 7 -0.581 12.851 -7.797 1.00 31.23 C ATOM 85 O VAL A 7 -1.103 12.536 -8.866 1.00 71.04 O ATOM 86 CB VAL A 7 0.902 14.389 -9.086 1.00 12.40 C ATOM 87 CG1 VAL A 7 -0.307 15.261 -9.394 1.00 25.43 C ATOM 88 CG2 VAL A 7 2.176 15.220 -9.063 1.00 62.23 C ATOM 89 H VAL A 7 2.461 13.052 -6.716 1.00 52.42 H ATOM 90 HA VAL A 7 0.633 14.396 -6.962 1.00 2.22 H ATOM 91 HB VAL A 7 0.993 13.650 -9.868 1.00 31.22 H ATOM 92 HG11 VAL A 7 -1.008 15.206 -8.574 1.00 24.33 H ATOM 93 HG12 VAL A 7 0.012 16.284 -9.529 1.00 30.21 H ATOM 94 HG13 VAL A 7 -0.783 14.909 -10.297 1.00 43.03 H ATOM 95 HG21 VAL A 7 3.010 14.609 -9.375 1.00 22.24 H ATOM 96 HG22 VAL A 7 2.071 16.057 -9.737 1.00 3.21 H ATOM 97 HG23 VAL A 7 2.351 15.584 -8.061 1.00 64.02 H ATOM 98 N PRO A 8 -1.113 12.509 -6.614 1.00 20.22 N ATOM 99 CA PRO A 8 -2.353 11.736 -6.497 1.00 54.43 C ATOM 100 C PRO A 8 -3.578 12.538 -6.927 1.00 23.42 C ATOM 101 O PRO A 8 -3.455 13.635 -7.470 1.00 24.44 O ATOM 102 CB PRO A 8 -2.427 11.407 -5.004 1.00 60.43 C ATOM 103 CG PRO A 8 -1.643 12.485 -4.339 1.00 61.42 C ATOM 104 CD PRO A 8 -0.545 12.850 -5.299 1.00 44.30 C ATOM 105 HA PRO A 8 -2.306 10.821 -7.068 1.00 64.41 H ATOM 106 HB2 PRO A 8 -3.459 11.411 -4.682 1.00 41.45 H ATOM 107 HB3 PRO A 8 -1.993 10.435 -4.825 1.00 24.32 H ATOM 108 HG2 PRO A 8 -2.277 13.338 -4.152 1.00 61.20 H ATOM 109 HG3 PRO A 8 -1.224 12.116 -3.414 1.00 54.22 H ATOM 110 HD2 PRO A 8 -0.325 13.906 -5.236 1.00 64.33 H ATOM 111 HD3 PRO A 8 0.341 12.266 -5.099 1.00 63.32 H ATOM 112 N GLY A 9 -4.760 11.982 -6.679 1.00 70.44 N ATOM 113 CA GLY A 9 -5.990 12.659 -7.047 1.00 23.11 C ATOM 114 C GLY A 9 -6.487 13.589 -5.958 1.00 41.23 C ATOM 115 O GLY A 9 -5.710 14.346 -5.377 1.00 51.43 O ATOM 116 H GLY A 9 -4.797 11.104 -6.244 1.00 14.33 H ATOM 117 HA2 GLY A 9 -5.817 13.232 -7.945 1.00 53.53 H ATOM 118 HA3 GLY A 9 -6.750 11.918 -7.245 1.00 61.45 H ATOM 119 N MET A 10 -7.786 13.534 -5.682 1.00 62.15 N ATOM 120 CA MET A 10 -8.385 14.379 -4.656 1.00 74.04 C ATOM 121 C MET A 10 -7.677 14.194 -3.318 1.00 14.31 C ATOM 122 O MET A 10 -6.908 15.054 -2.887 1.00 51.24 O ATOM 123 CB MET A 10 -9.874 14.059 -4.508 1.00 30.15 C ATOM 124 CG MET A 10 -10.737 14.655 -5.608 1.00 62.00 C ATOM 125 SD MET A 10 -11.945 15.836 -4.980 1.00 15.31 S ATOM 126 CE MET A 10 -13.388 14.788 -4.812 1.00 21.12 C ATOM 127 H MET A 10 -8.355 12.910 -6.180 1.00 21.33 H ATOM 128 HA MET A 10 -8.277 15.407 -4.969 1.00 20.40 H ATOM 129 HB2 MET A 10 -10.003 12.987 -4.520 1.00 24.12 H ATOM 130 HB3 MET A 10 -10.220 14.444 -3.560 1.00 54.42 H ATOM 131 HG2 MET A 10 -10.097 15.160 -6.316 1.00 65.41 H ATOM 132 HG3 MET A 10 -11.262 13.854 -6.108 1.00 3.32 H ATOM 133 HE1 MET A 10 -13.431 14.099 -5.643 1.00 43.12 H ATOM 134 HE2 MET A 10 -13.324 14.233 -3.888 1.00 31.14 H ATOM 135 HE3 MET A 10 -14.278 15.399 -4.804 1.00 40.30 H ATOM 136 N HIS A 11 -7.942 13.068 -2.664 1.00 32.22 N ATOM 137 CA HIS A 11 -7.330 12.771 -1.374 1.00 24.22 C ATOM 138 C HIS A 11 -5.867 12.373 -1.546 1.00 21.52 C ATOM 139 O HIS A 11 -5.560 11.232 -1.894 1.00 44.32 O ATOM 140 CB HIS A 11 -8.095 11.652 -0.667 1.00 73.34 C ATOM 141 CG HIS A 11 -9.582 11.835 -0.692 1.00 64.32 C ATOM 142 ND1 HIS A 11 -10.228 12.837 0.000 1.00 72.21 N ATOM 143 CD2 HIS A 11 -10.549 11.137 -1.333 1.00 1.34 C ATOM 144 CE1 HIS A 11 -11.529 12.747 -0.212 1.00 60.12 C ATOM 145 NE2 HIS A 11 -11.750 11.724 -1.018 1.00 70.00 N ATOM 146 H HIS A 11 -8.564 12.421 -3.058 1.00 42.21 H ATOM 147 HA HIS A 11 -7.378 13.664 -0.770 1.00 43.43 H ATOM 148 HB2 HIS A 11 -7.869 10.711 -1.148 1.00 14.12 H ATOM 149 HB3 HIS A 11 -7.783 11.607 0.366 1.00 21.10 H ATOM 150 HD1 HIS A 11 -9.798 13.512 0.564 1.00 2.20 H ATOM 151 HD2 HIS A 11 -10.404 10.278 -1.972 1.00 40.05 H ATOM 152 HE1 HIS A 11 -12.284 13.399 0.202 1.00 63.33 H ATOM 153 N LYS A 12 -4.968 13.320 -1.300 1.00 70.31 N ATOM 154 CA LYS A 12 -3.537 13.069 -1.427 1.00 33.21 C ATOM 155 C LYS A 12 -3.058 12.099 -0.352 1.00 24.12 C ATOM 156 O LYS A 12 -1.946 11.575 -0.425 1.00 63.25 O ATOM 157 CB LYS A 12 -2.758 14.382 -1.329 1.00 3.03 C ATOM 158 CG LYS A 12 -3.314 15.487 -2.210 1.00 64.24 C ATOM 159 CD LYS A 12 -2.368 16.674 -2.279 1.00 51.33 C ATOM 160 CE LYS A 12 -2.251 17.212 -3.697 1.00 62.12 C ATOM 161 NZ LYS A 12 -2.438 18.688 -3.748 1.00 2.42 N ATOM 162 H LYS A 12 -5.275 14.210 -1.026 1.00 23.25 H ATOM 163 HA LYS A 12 -3.362 12.628 -2.397 1.00 35.15 H ATOM 164 HB2 LYS A 12 -2.778 14.723 -0.304 1.00 50.11 H ATOM 165 HB3 LYS A 12 -1.733 14.201 -1.618 1.00 64.43 H ATOM 166 HG2 LYS A 12 -3.461 15.100 -3.208 1.00 22.53 H ATOM 167 HG3 LYS A 12 -4.261 15.815 -1.806 1.00 43.23 H ATOM 168 HD2 LYS A 12 -2.742 17.459 -1.639 1.00 11.12 H ATOM 169 HD3 LYS A 12 -1.390 16.365 -1.939 1.00 30.32 H ATOM 170 HE2 LYS A 12 -1.272 16.968 -4.081 1.00 10.42 H ATOM 171 HE3 LYS A 12 -3.005 16.741 -4.310 1.00 70.22 H ATOM 172 HZ1 LYS A 12 -1.527 19.158 -3.924 1.00 10.45 H ATOM 173 HZ2 LYS A 12 -2.824 19.030 -2.845 1.00 0.54 H ATOM 174 HZ3 LYS A 12 -3.098 18.939 -4.511 1.00 12.00 H ATOM 175 N CYS A 13 -3.903 11.863 0.646 1.00 51.03 N ATOM 176 CA CYS A 13 -3.567 10.955 1.736 1.00 45.42 C ATOM 177 C CYS A 13 -4.085 9.549 1.452 1.00 72.50 C ATOM 178 O CYS A 13 -4.497 8.831 2.364 1.00 43.12 O ATOM 179 CB CYS A 13 -4.149 11.469 3.054 1.00 52.43 C ATOM 180 SG CYS A 13 -3.259 12.897 3.754 1.00 74.53 S ATOM 181 H CYS A 13 -4.776 12.311 0.649 1.00 22.03 H ATOM 182 HA CYS A 13 -2.491 10.919 1.818 1.00 41.34 H ATOM 183 HB2 CYS A 13 -5.174 11.770 2.892 1.00 34.53 H ATOM 184 HB3 CYS A 13 -4.123 10.674 3.784 1.00 12.53 H ATOM 185 N VAL A 14 -4.062 9.161 0.181 1.00 60.52 N ATOM 186 CA VAL A 14 -4.528 7.840 -0.224 1.00 31.40 C ATOM 187 C VAL A 14 -3.700 6.740 0.431 1.00 43.00 C ATOM 188 O VAL A 14 -4.241 5.747 0.919 1.00 45.12 O ATOM 189 CB VAL A 14 -4.471 7.669 -1.754 1.00 25.54 C ATOM 190 CG1 VAL A 14 -3.074 7.976 -2.273 1.00 73.53 C ATOM 191 CG2 VAL A 14 -4.898 6.263 -2.149 1.00 13.15 C ATOM 192 H VAL A 14 -3.722 9.777 -0.501 1.00 55.10 H ATOM 193 HA VAL A 14 -5.557 7.738 0.090 1.00 23.32 H ATOM 194 HB VAL A 14 -5.159 8.371 -2.200 1.00 72.43 H ATOM 195 HG11 VAL A 14 -2.510 7.058 -2.352 1.00 20.25 H ATOM 196 HG12 VAL A 14 -3.146 8.440 -3.246 1.00 21.11 H ATOM 197 HG13 VAL A 14 -2.576 8.647 -1.589 1.00 65.54 H ATOM 198 HG21 VAL A 14 -5.906 6.083 -1.806 1.00 12.35 H ATOM 199 HG22 VAL A 14 -4.860 6.165 -3.223 1.00 70.31 H ATOM 200 HG23 VAL A 14 -4.231 5.543 -1.697 1.00 61.03 H ATOM 201 N CYS A 15 -2.384 6.924 0.439 1.00 23.40 N ATOM 202 CA CYS A 15 -1.479 5.948 1.034 1.00 24.20 C ATOM 203 C CYS A 15 -1.605 5.945 2.555 1.00 51.12 C ATOM 204 O CYS A 15 -1.029 5.095 3.235 1.00 1.44 O ATOM 205 CB CYS A 15 -0.034 6.250 0.632 1.00 23.21 C ATOM 206 SG CYS A 15 1.144 4.920 1.037 1.00 41.24 S ATOM 207 H CYS A 15 -2.011 7.736 0.034 1.00 34.23 H ATOM 208 HA CYS A 15 -1.750 4.972 0.661 1.00 54.21 H ATOM 209 HB2 CYS A 15 0.009 6.411 -0.435 1.00 54.43 H ATOM 210 HB3 CYS A 15 0.293 7.145 1.140 1.00 45.25 H ATOM 211 N LEU A 16 -2.363 6.901 3.081 1.00 22.24 N ATOM 212 CA LEU A 16 -2.566 7.009 4.522 1.00 51.41 C ATOM 213 C LEU A 16 -3.873 7.730 4.834 1.00 14.35 C ATOM 214 O LEU A 16 -3.875 8.802 5.441 1.00 62.12 O ATOM 215 CB LEU A 16 -1.394 7.751 5.168 1.00 54.13 C ATOM 216 CG LEU A 16 -1.156 9.181 4.682 1.00 0.43 C ATOM 217 CD1 LEU A 16 -0.647 10.053 5.820 1.00 54.32 C ATOM 218 CD2 LEU A 16 -0.175 9.193 3.519 1.00 1.31 C ATOM 219 H LEU A 16 -2.796 7.549 2.489 1.00 52.15 H ATOM 220 HA LEU A 16 -2.615 6.009 4.926 1.00 50.22 H ATOM 221 HB2 LEU A 16 -1.573 7.789 6.231 1.00 22.53 H ATOM 222 HB3 LEU A 16 -0.497 7.181 4.975 1.00 44.12 H ATOM 223 HG LEU A 16 -2.092 9.598 4.336 1.00 62.01 H ATOM 224 HD11 LEU A 16 -1.443 10.217 6.531 1.00 41.53 H ATOM 225 HD12 LEU A 16 -0.315 11.002 5.425 1.00 15.22 H ATOM 226 HD13 LEU A 16 0.179 9.559 6.310 1.00 14.23 H ATOM 227 HD21 LEU A 16 0.746 9.663 3.830 1.00 42.10 H ATOM 228 HD22 LEU A 16 -0.601 9.746 2.695 1.00 73.11 H ATOM 229 HD23 LEU A 16 0.025 8.178 3.207 1.00 41.54 H ATOM 230 N LYS A 17 -4.986 7.134 4.418 1.00 3.44 N ATOM 231 CA LYS A 17 -6.301 7.717 4.656 1.00 32.53 C ATOM 232 C LYS A 17 -6.435 8.187 6.101 1.00 3.11 C ATOM 233 O LYS A 17 -7.221 9.085 6.403 1.00 53.42 O ATOM 234 CB LYS A 17 -7.398 6.698 4.337 1.00 22.12 C ATOM 235 CG LYS A 17 -7.293 5.417 5.147 1.00 3.31 C ATOM 236 CD LYS A 17 -7.835 4.225 4.378 1.00 73.34 C ATOM 237 CE LYS A 17 -6.723 3.461 3.676 1.00 44.44 C ATOM 238 NZ LYS A 17 -6.469 2.139 4.313 1.00 53.43 N ATOM 239 H LYS A 17 -4.920 6.281 3.940 1.00 72.20 H ATOM 240 HA LYS A 17 -6.411 8.568 4.002 1.00 63.34 H ATOM 241 HB2 LYS A 17 -8.359 7.148 4.537 1.00 73.45 H ATOM 242 HB3 LYS A 17 -7.340 6.442 3.289 1.00 72.31 H ATOM 243 HG2 LYS A 17 -6.255 5.236 5.385 1.00 11.51 H ATOM 244 HG3 LYS A 17 -7.859 5.533 6.061 1.00 62.44 H ATOM 245 HD2 LYS A 17 -8.334 3.559 5.066 1.00 3.04 H ATOM 246 HD3 LYS A 17 -8.542 4.575 3.638 1.00 5.43 H ATOM 247 HE2 LYS A 17 -7.004 3.307 2.645 1.00 34.44 H ATOM 248 HE3 LYS A 17 -5.818 4.051 3.717 1.00 74.43 H ATOM 249 HZ1 LYS A 17 -7.327 1.806 4.797 1.00 23.14 H ATOM 250 HZ2 LYS A 17 -5.700 2.220 5.008 1.00 62.11 H ATOM 251 HZ3 LYS A 17 -6.198 1.441 3.591 1.00 3.45 H ATOM 252 N THR A 18 -5.660 7.576 6.992 1.00 31.30 N ATOM 253 CA THR A 18 -5.692 7.932 8.405 1.00 43.22 C ATOM 254 C THR A 18 -4.855 9.177 8.676 1.00 13.45 C ATOM 255 O THR A 18 -4.278 9.327 9.754 1.00 43.04 O ATOM 256 CB THR A 18 -5.177 6.779 9.287 1.00 43.22 C ATOM 257 OG1 THR A 18 -5.479 7.041 10.662 1.00 50.53 O ATOM 258 CG2 THR A 18 -3.676 6.598 9.118 1.00 22.51 C ATOM 259 H THR A 18 -5.054 6.867 6.690 1.00 2.43 H ATOM 260 HA THR A 18 -6.718 8.134 8.675 1.00 32.30 H ATOM 261 HB THR A 18 -5.671 5.867 8.985 1.00 31.20 H ATOM 262 HG1 THR A 18 -6.412 6.878 10.821 1.00 23.23 H ATOM 263 HG21 THR A 18 -3.453 5.549 8.991 1.00 43.01 H ATOM 264 HG22 THR A 18 -3.167 6.970 9.995 1.00 32.31 H ATOM 265 HG23 THR A 18 -3.343 7.145 8.249 1.00 64.21 H ATOM 266 N CYS A 19 -4.795 10.070 7.694 1.00 65.43 N ATOM 267 CA CYS A 19 -4.029 11.303 7.826 1.00 2.13 C ATOM 268 C CYS A 19 -4.369 12.017 9.131 1.00 14.22 C ATOM 269 O CYS A 19 -3.915 13.135 9.375 1.00 41.10 O ATOM 270 CB CYS A 19 -4.303 12.228 6.639 1.00 10.41 C ATOM 271 SG CYS A 19 -2.825 12.632 5.654 1.00 3.43 S ATOM 272 H CYS A 19 -5.277 9.894 6.858 1.00 43.24 H ATOM 273 HA CYS A 19 -2.981 11.044 7.835 1.00 11.10 H ATOM 274 HB2 CYS A 19 -5.016 11.754 5.980 1.00 11.33 H ATOM 275 HB3 CYS A 19 -4.719 13.156 7.004 1.00 73.31 H TER 276 CYS A 19 ENDMDL MODEL 6 ATOM 1 N ASP A 1 1.864 0.245 -0.145 1.00 62.10 N ATOM 2 CA ASP A 1 0.840 0.082 -1.171 1.00 24.14 C ATOM 3 C ASP A 1 0.483 1.425 -1.800 1.00 63.44 C ATOM 4 O ASP A 1 -0.676 1.682 -2.125 1.00 35.52 O ATOM 5 CB ASP A 1 -0.411 -0.565 -0.574 1.00 42.41 C ATOM 6 CG ASP A 1 -0.083 -1.742 0.323 1.00 63.03 C ATOM 7 OD1 ASP A 1 0.748 -2.582 -0.082 1.00 11.02 O ATOM 8 OD2 ASP A 1 -0.657 -1.824 1.429 1.00 71.02 O ATOM 9 H1 ASP A 1 1.622 0.119 0.797 1.00 41.54 H ATOM 10 HA ASP A 1 1.239 -0.566 -1.937 1.00 34.13 H ATOM 11 HB2 ASP A 1 -0.945 0.171 0.010 1.00 24.01 H ATOM 12 HB3 ASP A 1 -1.046 -0.911 -1.376 1.00 21.41 H ATOM 13 N CYS A 2 1.487 2.279 -1.970 1.00 22.43 N ATOM 14 CA CYS A 2 1.280 3.596 -2.559 1.00 22.11 C ATOM 15 C CYS A 2 1.444 3.545 -4.075 1.00 51.42 C ATOM 16 O CYS A 2 2.148 2.695 -4.621 1.00 12.33 O ATOM 17 CB CYS A 2 2.263 4.605 -1.962 1.00 64.21 C ATOM 18 SG CYS A 2 2.431 4.498 -0.151 1.00 61.23 S ATOM 19 H CYS A 2 2.391 2.016 -1.691 1.00 55.51 H ATOM 20 HA CYS A 2 0.273 3.908 -2.328 1.00 41.22 H ATOM 21 HB2 CYS A 2 3.241 4.441 -2.392 1.00 31.30 H ATOM 22 HB3 CYS A 2 1.933 5.604 -2.204 1.00 10.13 H ATOM 23 N PRO A 3 0.779 4.478 -4.773 1.00 73.34 N ATOM 24 CA PRO A 3 0.835 4.562 -6.236 1.00 31.52 C ATOM 25 C PRO A 3 2.200 5.019 -6.738 1.00 60.02 C ATOM 26 O PRO A 3 3.038 5.503 -5.977 1.00 50.32 O ATOM 27 CB PRO A 3 -0.235 5.603 -6.573 1.00 33.22 C ATOM 28 CG PRO A 3 -0.346 6.443 -5.347 1.00 63.25 C ATOM 29 CD PRO A 3 -0.079 5.522 -4.189 1.00 12.12 C ATOM 30 HA PRO A 3 0.580 3.619 -6.697 1.00 62.33 H ATOM 31 HB2 PRO A 3 0.082 6.186 -7.426 1.00 4.24 H ATOM 32 HB3 PRO A 3 -1.168 5.107 -6.796 1.00 63.43 H ATOM 33 HG2 PRO A 3 0.390 7.232 -5.376 1.00 13.30 H ATOM 34 HG3 PRO A 3 -1.340 6.857 -5.275 1.00 55.13 H ATOM 35 HD2 PRO A 3 0.437 6.048 -3.400 1.00 2.33 H ATOM 36 HD3 PRO A 3 -1.003 5.100 -3.822 1.00 12.32 H ATOM 37 N PRO A 4 2.431 4.863 -8.050 1.00 42.42 N ATOM 38 CA PRO A 4 3.694 5.256 -8.683 1.00 72.45 C ATOM 39 C PRO A 4 3.873 6.769 -8.732 1.00 15.13 C ATOM 40 O PRO A 4 4.966 7.283 -8.496 1.00 5.05 O ATOM 41 CB PRO A 4 3.572 4.686 -10.099 1.00 45.11 C ATOM 42 CG PRO A 4 2.106 4.599 -10.348 1.00 62.10 C ATOM 43 CD PRO A 4 1.478 4.293 -9.017 1.00 13.24 C ATOM 44 HA PRO A 4 4.543 4.810 -8.186 1.00 35.32 H ATOM 45 HB2 PRO A 4 4.054 5.353 -10.801 1.00 22.25 H ATOM 46 HB3 PRO A 4 4.038 3.713 -10.141 1.00 2.02 H ATOM 47 HG2 PRO A 4 1.741 5.541 -10.727 1.00 45.34 H ATOM 48 HG3 PRO A 4 1.900 3.805 -11.050 1.00 61.15 H ATOM 49 HD2 PRO A 4 0.513 4.772 -8.936 1.00 4.54 H ATOM 50 HD3 PRO A 4 1.383 3.226 -8.880 1.00 63.11 H ATOM 51 N HIS A 5 2.791 7.479 -9.039 1.00 22.34 N ATOM 52 CA HIS A 5 2.829 8.935 -9.116 1.00 71.35 C ATOM 53 C HIS A 5 1.939 9.559 -8.046 1.00 3.41 C ATOM 54 O HIS A 5 1.007 8.936 -7.538 1.00 10.11 O ATOM 55 CB HIS A 5 2.385 9.404 -10.502 1.00 42.03 C ATOM 56 CG HIS A 5 1.191 8.669 -11.030 1.00 5.12 C ATOM 57 ND1 HIS A 5 -0.090 8.884 -10.567 1.00 44.02 N ATOM 58 CD2 HIS A 5 1.089 7.718 -11.988 1.00 4.23 C ATOM 59 CE1 HIS A 5 -0.928 8.096 -11.216 1.00 62.14 C ATOM 60 NE2 HIS A 5 -0.238 7.379 -12.084 1.00 64.54 N ATOM 61 H HIS A 5 1.948 7.012 -9.216 1.00 42.13 H ATOM 62 HA HIS A 5 3.848 9.249 -8.949 1.00 13.53 H ATOM 63 HB2 HIS A 5 2.134 10.454 -10.456 1.00 62.54 H ATOM 64 HB3 HIS A 5 3.198 9.263 -11.200 1.00 52.25 H ATOM 65 HD1 HIS A 5 -0.346 9.518 -9.866 1.00 41.52 H ATOM 66 HD2 HIS A 5 1.901 7.303 -12.569 1.00 30.55 H ATOM 67 HE1 HIS A 5 -1.996 8.046 -11.064 1.00 44.43 H ATOM 68 N PRO A 6 2.233 10.820 -7.693 1.00 72.22 N ATOM 69 CA PRO A 6 1.471 11.556 -6.680 1.00 24.24 C ATOM 70 C PRO A 6 0.067 11.912 -7.155 1.00 31.13 C ATOM 71 O PRO A 6 -0.132 12.287 -8.310 1.00 41.23 O ATOM 72 CB PRO A 6 2.301 12.824 -6.465 1.00 11.23 C ATOM 73 CG PRO A 6 3.050 13.007 -7.739 1.00 44.21 C ATOM 74 CD PRO A 6 3.330 11.624 -8.257 1.00 61.42 C ATOM 75 HA PRO A 6 1.408 11.004 -5.753 1.00 53.11 H ATOM 76 HB2 PRO A 6 1.643 13.659 -6.269 1.00 55.02 H ATOM 77 HB3 PRO A 6 2.971 12.684 -5.630 1.00 33.43 H ATOM 78 HG2 PRO A 6 2.446 13.557 -8.445 1.00 24.13 H ATOM 79 HG3 PRO A 6 3.976 13.530 -7.548 1.00 62.33 H ATOM 80 HD2 PRO A 6 3.301 11.612 -9.337 1.00 23.13 H ATOM 81 HD3 PRO A 6 4.287 11.273 -7.900 1.00 21.04 H ATOM 82 N VAL A 7 -0.905 11.792 -6.256 1.00 11.31 N ATOM 83 CA VAL A 7 -2.291 12.103 -6.583 1.00 54.31 C ATOM 84 C VAL A 7 -2.773 13.333 -5.821 1.00 74.23 C ATOM 85 O VAL A 7 -3.507 13.236 -4.838 1.00 34.04 O ATOM 86 CB VAL A 7 -3.223 10.918 -6.265 1.00 44.32 C ATOM 87 CG1 VAL A 7 -4.662 11.261 -6.618 1.00 31.44 C ATOM 88 CG2 VAL A 7 -2.766 9.670 -7.005 1.00 35.42 C ATOM 89 H VAL A 7 -0.684 11.488 -5.351 1.00 13.42 H ATOM 90 HA VAL A 7 -2.347 12.304 -7.643 1.00 75.33 H ATOM 91 HB VAL A 7 -3.172 10.721 -5.204 1.00 51.54 H ATOM 92 HG11 VAL A 7 -5.030 10.558 -7.351 1.00 23.21 H ATOM 93 HG12 VAL A 7 -5.273 11.208 -5.728 1.00 71.24 H ATOM 94 HG13 VAL A 7 -4.705 12.260 -7.025 1.00 63.02 H ATOM 95 HG21 VAL A 7 -2.318 9.952 -7.945 1.00 63.55 H ATOM 96 HG22 VAL A 7 -2.042 9.141 -6.404 1.00 30.33 H ATOM 97 HG23 VAL A 7 -3.617 9.029 -7.190 1.00 1.24 H ATOM 98 N PRO A 8 -2.352 14.519 -6.285 1.00 74.21 N ATOM 99 CA PRO A 8 -2.730 15.791 -5.663 1.00 2.32 C ATOM 100 C PRO A 8 -4.204 16.123 -5.870 1.00 3.23 C ATOM 101 O PRO A 8 -4.788 15.786 -6.899 1.00 25.33 O ATOM 102 CB PRO A 8 -1.846 16.814 -6.381 1.00 64.43 C ATOM 103 CG PRO A 8 -1.541 16.191 -7.700 1.00 75.11 C ATOM 104 CD PRO A 8 -1.476 14.709 -7.453 1.00 50.01 C ATOM 105 HA PRO A 8 -2.505 15.798 -4.606 1.00 54.22 H ATOM 106 HB2 PRO A 8 -2.386 17.742 -6.497 1.00 52.43 H ATOM 107 HB3 PRO A 8 -0.946 16.983 -5.808 1.00 74.03 H ATOM 108 HG2 PRO A 8 -2.327 16.419 -8.404 1.00 11.40 H ATOM 109 HG3 PRO A 8 -0.591 16.552 -8.066 1.00 35.34 H ATOM 110 HD2 PRO A 8 -1.851 14.167 -8.309 1.00 24.13 H ATOM 111 HD3 PRO A 8 -0.463 14.408 -7.227 1.00 55.53 H ATOM 112 N GLY A 9 -4.800 16.787 -4.884 1.00 53.43 N ATOM 113 CA GLY A 9 -6.201 17.154 -4.979 1.00 12.04 C ATOM 114 C GLY A 9 -7.126 15.996 -4.661 1.00 72.11 C ATOM 115 O GLY A 9 -7.911 16.061 -3.716 1.00 10.15 O ATOM 116 H GLY A 9 -4.285 17.030 -4.087 1.00 3.32 H ATOM 117 HA2 GLY A 9 -6.399 17.959 -4.287 1.00 3.13 H ATOM 118 HA3 GLY A 9 -6.405 17.497 -5.982 1.00 42.33 H ATOM 119 N MET A 10 -7.035 14.933 -5.454 1.00 53.43 N ATOM 120 CA MET A 10 -7.872 13.756 -5.253 1.00 24.13 C ATOM 121 C MET A 10 -7.359 12.918 -4.086 1.00 2.25 C ATOM 122 O MET A 10 -6.955 11.769 -4.264 1.00 23.32 O ATOM 123 CB MET A 10 -7.911 12.908 -6.526 1.00 31.05 C ATOM 124 CG MET A 10 -8.777 13.502 -7.625 1.00 3.12 C ATOM 125 SD MET A 10 -10.254 12.522 -7.952 1.00 31.41 S ATOM 126 CE MET A 10 -10.931 13.390 -9.365 1.00 22.12 C ATOM 127 H MET A 10 -6.390 14.940 -6.192 1.00 53.43 H ATOM 128 HA MET A 10 -8.871 14.095 -5.026 1.00 32.35 H ATOM 129 HB2 MET A 10 -6.906 12.803 -6.905 1.00 41.25 H ATOM 130 HB3 MET A 10 -8.299 11.930 -6.281 1.00 41.31 H ATOM 131 HG2 MET A 10 -9.080 14.495 -7.329 1.00 51.31 H ATOM 132 HG3 MET A 10 -8.192 13.562 -8.531 1.00 73.50 H ATOM 133 HE1 MET A 10 -10.125 13.814 -9.946 1.00 63.43 H ATOM 134 HE2 MET A 10 -11.492 12.700 -9.977 1.00 20.41 H ATOM 135 HE3 MET A 10 -11.583 14.180 -9.023 1.00 3.12 H ATOM 136 N HIS A 11 -7.377 13.501 -2.891 1.00 54.41 N ATOM 137 CA HIS A 11 -6.914 12.808 -1.694 1.00 72.24 C ATOM 138 C HIS A 11 -5.518 12.230 -1.907 1.00 53.14 C ATOM 139 O HIS A 11 -5.364 11.049 -2.218 1.00 73.22 O ATOM 140 CB HIS A 11 -7.889 11.692 -1.317 1.00 23.31 C ATOM 141 CG HIS A 11 -9.326 12.111 -1.360 1.00 2.32 C ATOM 142 ND1 HIS A 11 -9.863 13.046 -0.500 1.00 21.11 N ATOM 143 CD2 HIS A 11 -10.339 11.719 -2.167 1.00 42.34 C ATOM 144 CE1 HIS A 11 -11.144 13.209 -0.775 1.00 55.35 C ATOM 145 NE2 HIS A 11 -11.458 12.416 -1.784 1.00 12.01 N ATOM 146 H HIS A 11 -7.711 14.419 -2.813 1.00 2.32 H ATOM 147 HA HIS A 11 -6.874 13.526 -0.890 1.00 20.04 H ATOM 148 HB2 HIS A 11 -7.764 10.867 -2.003 1.00 21.32 H ATOM 149 HB3 HIS A 11 -7.670 11.356 -0.314 1.00 20.45 H ATOM 150 HD1 HIS A 11 -9.377 13.518 0.208 1.00 33.31 H ATOM 151 HD2 HIS A 11 -10.279 10.993 -2.966 1.00 22.33 H ATOM 152 HE1 HIS A 11 -11.821 13.878 -0.264 1.00 61.24 H ATOM 153 N LYS A 12 -4.503 13.071 -1.739 1.00 33.22 N ATOM 154 CA LYS A 12 -3.120 12.645 -1.912 1.00 24.13 C ATOM 155 C LYS A 12 -2.710 11.668 -0.814 1.00 4.41 C ATOM 156 O LYS A 12 -1.670 11.016 -0.906 1.00 64.32 O ATOM 157 CB LYS A 12 -2.186 13.858 -1.905 1.00 34.24 C ATOM 158 CG LYS A 12 -0.849 13.600 -2.577 1.00 1.22 C ATOM 159 CD LYS A 12 0.261 14.422 -1.943 1.00 41.14 C ATOM 160 CE LYS A 12 0.536 15.692 -2.735 1.00 34.42 C ATOM 161 NZ LYS A 12 1.992 15.892 -2.974 1.00 13.43 N ATOM 162 H LYS A 12 -4.690 14.001 -1.491 1.00 4.21 H ATOM 163 HA LYS A 12 -3.042 12.148 -2.867 1.00 34.54 H ATOM 164 HB2 LYS A 12 -2.673 14.674 -2.418 1.00 44.12 H ATOM 165 HB3 LYS A 12 -2.001 14.148 -0.880 1.00 63.04 H ATOM 166 HG2 LYS A 12 -0.605 12.552 -2.483 1.00 3.53 H ATOM 167 HG3 LYS A 12 -0.926 13.861 -3.623 1.00 1.32 H ATOM 168 HD2 LYS A 12 -0.031 14.693 -0.940 1.00 12.42 H ATOM 169 HD3 LYS A 12 1.163 13.827 -1.909 1.00 51.22 H ATOM 170 HE2 LYS A 12 0.030 15.624 -3.686 1.00 14.04 H ATOM 171 HE3 LYS A 12 0.150 16.535 -2.181 1.00 44.34 H ATOM 172 HZ1 LYS A 12 2.393 15.063 -3.456 1.00 74.01 H ATOM 173 HZ2 LYS A 12 2.487 16.027 -2.069 1.00 33.13 H ATOM 174 HZ3 LYS A 12 2.144 16.733 -3.567 1.00 70.40 H ATOM 175 N CYS A 13 -3.534 11.572 0.224 1.00 61.01 N ATOM 176 CA CYS A 13 -3.258 10.674 1.339 1.00 12.42 C ATOM 177 C CYS A 13 -3.947 9.328 1.137 1.00 65.35 C ATOM 178 O CYS A 13 -4.397 8.698 2.094 1.00 41.03 O ATOM 179 CB CYS A 13 -3.722 11.304 2.654 1.00 30.12 C ATOM 180 SG CYS A 13 -2.645 12.643 3.258 1.00 2.02 S ATOM 181 H CYS A 13 -4.348 12.118 0.241 1.00 53.55 H ATOM 182 HA CYS A 13 -2.191 10.517 1.382 1.00 34.53 H ATOM 183 HB2 CYS A 13 -4.712 11.716 2.518 1.00 65.40 H ATOM 184 HB3 CYS A 13 -3.758 10.540 3.417 1.00 5.31 H ATOM 185 N VAL A 14 -4.024 8.892 -0.117 1.00 20.42 N ATOM 186 CA VAL A 14 -4.656 7.619 -0.446 1.00 3.41 C ATOM 187 C VAL A 14 -3.930 6.457 0.222 1.00 72.42 C ATOM 188 O VAL A 14 -4.559 5.552 0.773 1.00 42.42 O ATOM 189 CB VAL A 14 -4.686 7.385 -1.968 1.00 12.01 C ATOM 190 CG1 VAL A 14 -3.289 7.508 -2.555 1.00 65.14 C ATOM 191 CG2 VAL A 14 -5.289 6.025 -2.285 1.00 72.12 C ATOM 192 H VAL A 14 -3.647 9.438 -0.837 1.00 45.22 H ATOM 193 HA VAL A 14 -5.674 7.650 -0.087 1.00 72.50 H ATOM 194 HB VAL A 14 -5.309 8.145 -2.416 1.00 71.04 H ATOM 195 HG11 VAL A 14 -2.687 8.143 -1.922 1.00 24.54 H ATOM 196 HG12 VAL A 14 -2.837 6.529 -2.619 1.00 72.44 H ATOM 197 HG13 VAL A 14 -3.350 7.941 -3.543 1.00 12.42 H ATOM 198 HG21 VAL A 14 -5.313 5.882 -3.355 1.00 62.21 H ATOM 199 HG22 VAL A 14 -4.689 5.251 -1.831 1.00 4.01 H ATOM 200 HG23 VAL A 14 -6.295 5.976 -1.893 1.00 50.24 H ATOM 201 N CYS A 15 -2.603 6.486 0.170 1.00 42.34 N ATOM 202 CA CYS A 15 -1.790 5.435 0.769 1.00 3.22 C ATOM 203 C CYS A 15 -1.850 5.503 2.292 1.00 11.05 C ATOM 204 O CYS A 15 -1.348 4.617 2.985 1.00 71.51 O ATOM 205 CB CYS A 15 -0.338 5.554 0.300 1.00 75.34 C ATOM 206 SG CYS A 15 0.702 4.121 0.730 1.00 13.53 S ATOM 207 H CYS A 15 -2.158 7.234 -0.284 1.00 34.10 H ATOM 208 HA CYS A 15 -2.186 4.484 0.448 1.00 55.44 H ATOM 209 HB2 CYS A 15 -0.324 5.658 -0.776 1.00 25.13 H ATOM 210 HB3 CYS A 15 0.106 6.430 0.747 1.00 3.21 H ATOM 211 N LEU A 16 -2.468 6.560 2.808 1.00 42.11 N ATOM 212 CA LEU A 16 -2.595 6.745 4.249 1.00 22.44 C ATOM 213 C LEU A 16 -3.796 7.624 4.582 1.00 4.31 C ATOM 214 O LEU A 16 -3.647 8.711 5.142 1.00 71.21 O ATOM 215 CB LEU A 16 -1.319 7.367 4.818 1.00 3.32 C ATOM 216 CG LEU A 16 -0.938 8.741 4.265 1.00 12.23 C ATOM 217 CD1 LEU A 16 -0.287 9.590 5.346 1.00 23.11 C ATOM 218 CD2 LEU A 16 -0.011 8.596 3.067 1.00 21.14 C ATOM 219 H LEU A 16 -2.848 7.233 2.206 1.00 43.01 H ATOM 220 HA LEU A 16 -2.741 5.772 4.696 1.00 13.40 H ATOM 221 HB2 LEU A 16 -1.445 7.464 5.885 1.00 14.34 H ATOM 222 HB3 LEU A 16 -0.502 6.690 4.614 1.00 23.44 H ATOM 223 HG LEU A 16 -1.834 9.251 3.936 1.00 24.53 H ATOM 224 HD11 LEU A 16 -1.022 9.847 6.094 1.00 64.23 H ATOM 225 HD12 LEU A 16 0.109 10.493 4.905 1.00 61.30 H ATOM 226 HD13 LEU A 16 0.516 9.033 5.806 1.00 63.50 H ATOM 227 HD21 LEU A 16 -0.562 8.189 2.233 1.00 52.32 H ATOM 228 HD22 LEU A 16 0.802 7.931 3.321 1.00 51.43 H ATOM 229 HD23 LEU A 16 0.386 9.565 2.800 1.00 22.41 H ATOM 230 N LYS A 17 -4.986 7.147 4.236 1.00 72.03 N ATOM 231 CA LYS A 17 -6.214 7.887 4.500 1.00 13.21 C ATOM 232 C LYS A 17 -6.229 8.425 5.928 1.00 71.35 C ATOM 233 O LYS A 17 -6.893 9.420 6.221 1.00 22.30 O ATOM 234 CB LYS A 17 -7.434 6.992 4.268 1.00 3.02 C ATOM 235 CG LYS A 17 -7.441 5.740 5.128 1.00 71.32 C ATOM 236 CD LYS A 17 -8.670 5.683 6.019 1.00 33.52 C ATOM 237 CE LYS A 17 -8.694 4.412 6.856 1.00 44.34 C ATOM 238 NZ LYS A 17 -10.033 3.763 6.840 1.00 35.33 N ATOM 239 H LYS A 17 -5.040 6.274 3.792 1.00 54.22 H ATOM 240 HA LYS A 17 -6.254 8.720 3.814 1.00 20.22 H ATOM 241 HB2 LYS A 17 -8.327 7.558 4.486 1.00 54.13 H ATOM 242 HB3 LYS A 17 -7.452 6.691 3.231 1.00 51.14 H ATOM 243 HG2 LYS A 17 -7.436 4.872 4.485 1.00 44.45 H ATOM 244 HG3 LYS A 17 -6.557 5.735 5.749 1.00 45.32 H ATOM 245 HD2 LYS A 17 -8.665 6.536 6.681 1.00 25.42 H ATOM 246 HD3 LYS A 17 -9.555 5.711 5.399 1.00 14.54 H ATOM 247 HE2 LYS A 17 -7.964 3.723 6.459 1.00 32.35 H ATOM 248 HE3 LYS A 17 -8.436 4.663 7.874 1.00 1.00 H ATOM 249 HZ1 LYS A 17 -10.693 4.318 6.259 1.00 34.33 H ATOM 250 HZ2 LYS A 17 -10.410 3.698 7.808 1.00 41.02 H ATOM 251 HZ3 LYS A 17 -9.961 2.804 6.444 1.00 32.01 H ATOM 252 N THR A 18 -5.492 7.761 6.813 1.00 42.13 N ATOM 253 CA THR A 18 -5.420 8.172 8.209 1.00 0.31 C ATOM 254 C THR A 18 -4.434 9.320 8.394 1.00 11.12 C ATOM 255 O THR A 18 -3.796 9.441 9.440 1.00 2.33 O ATOM 256 CB THR A 18 -5.004 7.001 9.119 1.00 44.11 C ATOM 257 OG1 THR A 18 -5.213 7.349 10.492 1.00 3.20 O ATOM 258 CG2 THR A 18 -3.543 6.638 8.899 1.00 3.22 C ATOM 259 H THR A 18 -4.985 6.976 6.518 1.00 31.21 H ATOM 260 HA THR A 18 -6.403 8.503 8.510 1.00 34.24 H ATOM 261 HB THR A 18 -5.613 6.142 8.876 1.00 10.31 H ATOM 262 HG1 THR A 18 -5.819 6.721 10.893 1.00 42.23 H ATOM 263 HG21 THR A 18 -3.189 7.105 7.992 1.00 21.42 H ATOM 264 HG22 THR A 18 -3.447 5.566 8.813 1.00 31.11 H ATOM 265 HG23 THR A 18 -2.956 6.986 9.736 1.00 3.20 H ATOM 266 N CYS A 19 -4.314 10.162 7.373 1.00 74.31 N ATOM 267 CA CYS A 19 -3.406 11.301 7.423 1.00 72.05 C ATOM 268 C CYS A 19 -3.603 12.098 8.709 1.00 22.41 C ATOM 269 O CYS A 19 -2.890 11.893 9.692 1.00 41.52 O ATOM 270 CB CYS A 19 -3.625 12.208 6.210 1.00 73.32 C ATOM 271 SG CYS A 19 -2.157 12.398 5.149 1.00 63.02 S ATOM 272 H CYS A 19 -4.850 10.013 6.565 1.00 73.31 H ATOM 273 HA CYS A 19 -2.396 10.922 7.400 1.00 71.55 H ATOM 274 HB2 CYS A 19 -4.418 11.797 5.601 1.00 20.15 H ATOM 275 HB3 CYS A 19 -3.914 13.190 6.552 1.00 2.41 H TER 276 CYS A 19 ENDMDL MODEL 7 ATOM 1 N ASP A 1 1.060 -0.648 -1.749 1.00 12.43 N ATOM 2 CA ASP A 1 1.216 0.541 -0.918 1.00 23.41 C ATOM 3 C ASP A 1 1.535 1.763 -1.773 1.00 5.24 C ATOM 4 O ASP A 1 2.519 1.777 -2.513 1.00 62.42 O ATOM 5 CB ASP A 1 2.322 0.324 0.117 1.00 74.42 C ATOM 6 CG ASP A 1 2.271 -1.059 0.737 1.00 14.22 C ATOM 7 OD1 ASP A 1 1.153 -1.576 0.944 1.00 15.44 O ATOM 8 OD2 ASP A 1 3.349 -1.624 1.015 1.00 73.23 O ATOM 9 H1 ASP A 1 0.359 -1.297 -1.528 1.00 5.04 H ATOM 10 HA ASP A 1 0.283 0.711 -0.403 1.00 73.33 H ATOM 11 HB2 ASP A 1 3.283 0.448 -0.361 1.00 74.10 H ATOM 12 HB3 ASP A 1 2.218 1.056 0.904 1.00 51.14 H ATOM 13 N CYS A 2 0.697 2.789 -1.666 1.00 21.41 N ATOM 14 CA CYS A 2 0.888 4.016 -2.430 1.00 31.35 C ATOM 15 C CYS A 2 0.753 3.751 -3.926 1.00 51.44 C ATOM 16 O CYS A 2 0.984 2.643 -4.410 1.00 23.03 O ATOM 17 CB CYS A 2 2.261 4.620 -2.129 1.00 31.11 C ATOM 18 SG CYS A 2 2.674 4.683 -0.356 1.00 34.44 S ATOM 19 H CYS A 2 -0.070 2.718 -1.058 1.00 41.43 H ATOM 20 HA CYS A 2 0.123 4.716 -2.130 1.00 31.43 H ATOM 21 HB2 CYS A 2 3.021 4.030 -2.621 1.00 53.54 H ATOM 22 HB3 CYS A 2 2.293 5.630 -2.510 1.00 73.33 H ATOM 23 N PRO A 3 0.370 4.794 -4.679 1.00 33.51 N ATOM 24 CA PRO A 3 0.196 4.700 -6.131 1.00 70.44 C ATOM 25 C PRO A 3 1.523 4.533 -6.864 1.00 73.23 C ATOM 26 O PRO A 3 2.600 4.712 -6.296 1.00 62.30 O ATOM 27 CB PRO A 3 -0.453 6.037 -6.498 1.00 71.42 C ATOM 28 CG PRO A 3 -0.028 6.973 -5.420 1.00 63.40 C ATOM 29 CD PRO A 3 0.077 6.144 -4.170 1.00 31.13 C ATOM 30 HA PRO A 3 -0.467 3.890 -6.400 1.00 43.12 H ATOM 31 HB2 PRO A 3 -0.096 6.359 -7.466 1.00 52.22 H ATOM 32 HB3 PRO A 3 -1.527 5.925 -6.523 1.00 24.11 H ATOM 33 HG2 PRO A 3 0.931 7.404 -5.665 1.00 72.03 H ATOM 34 HG3 PRO A 3 -0.769 7.748 -5.294 1.00 42.03 H ATOM 35 HD2 PRO A 3 0.881 6.503 -3.545 1.00 1.21 H ATOM 36 HD3 PRO A 3 -0.858 6.157 -3.629 1.00 71.10 H ATOM 37 N PRO A 4 1.446 4.182 -8.157 1.00 12.23 N ATOM 38 CA PRO A 4 2.632 3.985 -8.995 1.00 72.42 C ATOM 39 C PRO A 4 3.356 5.293 -9.292 1.00 44.10 C ATOM 40 O PRO A 4 4.580 5.377 -9.176 1.00 15.20 O ATOM 41 CB PRO A 4 2.060 3.386 -10.283 1.00 21.02 C ATOM 42 CG PRO A 4 0.650 3.864 -10.330 1.00 0.45 C ATOM 43 CD PRO A 4 0.195 3.952 -8.899 1.00 10.20 C ATOM 44 HA PRO A 4 3.323 3.286 -8.547 1.00 74.50 H ATOM 45 HB2 PRO A 4 2.627 3.742 -11.131 1.00 44.33 H ATOM 46 HB3 PRO A 4 2.110 2.309 -10.236 1.00 71.43 H ATOM 47 HG2 PRO A 4 0.607 4.836 -10.797 1.00 42.20 H ATOM 48 HG3 PRO A 4 0.041 3.158 -10.873 1.00 72.44 H ATOM 49 HD2 PRO A 4 -0.488 4.779 -8.770 1.00 45.12 H ATOM 50 HD3 PRO A 4 -0.269 3.026 -8.593 1.00 53.22 H ATOM 51 N HIS A 5 2.594 6.313 -9.675 1.00 63.42 N ATOM 52 CA HIS A 5 3.165 7.618 -9.988 1.00 14.23 C ATOM 53 C HIS A 5 2.747 8.656 -8.950 1.00 73.03 C ATOM 54 O HIS A 5 1.733 8.513 -8.267 1.00 75.21 O ATOM 55 CB HIS A 5 2.727 8.069 -11.382 1.00 23.13 C ATOM 56 CG HIS A 5 1.275 7.832 -11.659 1.00 53.25 C ATOM 57 ND1 HIS A 5 0.269 8.608 -11.122 1.00 25.24 N ATOM 58 CD2 HIS A 5 0.660 6.901 -12.425 1.00 61.34 C ATOM 59 CE1 HIS A 5 -0.901 8.163 -11.543 1.00 64.51 C ATOM 60 NE2 HIS A 5 -0.691 7.127 -12.336 1.00 53.32 N ATOM 61 H HIS A 5 1.626 6.184 -9.749 1.00 71.21 H ATOM 62 HA HIS A 5 4.240 7.523 -9.970 1.00 53.25 H ATOM 63 HB2 HIS A 5 2.916 9.127 -11.487 1.00 4.15 H ATOM 64 HB3 HIS A 5 3.300 7.530 -12.123 1.00 52.53 H ATOM 65 HD1 HIS A 5 0.395 9.370 -10.519 1.00 61.01 H ATOM 66 HD2 HIS A 5 1.143 6.122 -13.000 1.00 55.53 H ATOM 67 HE1 HIS A 5 -1.865 8.575 -11.284 1.00 65.55 H ATOM 68 N PRO A 6 3.546 9.726 -8.828 1.00 0.14 N ATOM 69 CA PRO A 6 3.279 10.808 -7.875 1.00 43.45 C ATOM 70 C PRO A 6 2.063 11.640 -8.269 1.00 31.44 C ATOM 71 O PRO A 6 1.324 11.282 -9.186 1.00 20.20 O ATOM 72 CB PRO A 6 4.551 11.658 -7.939 1.00 51.11 C ATOM 73 CG PRO A 6 5.118 11.390 -9.290 1.00 44.12 C ATOM 74 CD PRO A 6 4.771 9.962 -9.609 1.00 44.23 C ATOM 75 HA PRO A 6 3.147 10.430 -6.872 1.00 53.53 H ATOM 76 HB2 PRO A 6 4.296 12.701 -7.816 1.00 41.55 H ATOM 77 HB3 PRO A 6 5.231 11.354 -7.158 1.00 21.30 H ATOM 78 HG2 PRO A 6 4.673 12.055 -10.014 1.00 51.22 H ATOM 79 HG3 PRO A 6 6.190 11.519 -9.270 1.00 5.22 H ATOM 80 HD2 PRO A 6 4.583 9.847 -10.666 1.00 73.14 H ATOM 81 HD3 PRO A 6 5.564 9.301 -9.291 1.00 41.13 H ATOM 82 N VAL A 7 1.860 12.752 -7.569 1.00 25.41 N ATOM 83 CA VAL A 7 0.734 13.635 -7.846 1.00 61.11 C ATOM 84 C VAL A 7 -0.576 12.857 -7.890 1.00 14.22 C ATOM 85 O VAL A 7 -1.119 12.566 -8.956 1.00 11.21 O ATOM 86 CB VAL A 7 0.921 14.380 -9.181 1.00 12.40 C ATOM 87 CG1 VAL A 7 -0.273 15.280 -9.462 1.00 11.02 C ATOM 88 CG2 VAL A 7 2.212 15.184 -9.166 1.00 24.21 C ATOM 89 H VAL A 7 2.484 12.984 -6.850 1.00 21.25 H ATOM 90 HA VAL A 7 0.681 14.367 -7.053 1.00 51.14 H ATOM 91 HB VAL A 7 0.986 13.649 -9.973 1.00 31.53 H ATOM 92 HG11 VAL A 7 0.065 16.299 -9.584 1.00 20.34 H ATOM 93 HG12 VAL A 7 -0.767 14.953 -10.365 1.00 65.52 H ATOM 94 HG13 VAL A 7 -0.965 15.228 -8.634 1.00 52.01 H ATOM 95 HG21 VAL A 7 2.129 16.013 -9.852 1.00 41.04 H ATOM 96 HG22 VAL A 7 2.391 15.558 -8.169 1.00 22.42 H ATOM 97 HG23 VAL A 7 3.035 14.550 -9.465 1.00 53.14 H ATOM 98 N PRO A 8 -1.099 12.512 -6.704 1.00 33.21 N ATOM 99 CA PRO A 8 -2.354 11.764 -6.580 1.00 22.24 C ATOM 100 C PRO A 8 -3.567 12.595 -6.983 1.00 1.23 C ATOM 101 O PRO A 8 -3.428 13.696 -7.515 1.00 73.52 O ATOM 102 CB PRO A 8 -2.414 11.417 -5.090 1.00 11.42 C ATOM 103 CG PRO A 8 -1.599 12.471 -4.423 1.00 21.13 C ATOM 104 CD PRO A 8 -0.506 12.826 -5.393 1.00 73.50 C ATOM 105 HA PRO A 8 -2.333 10.854 -7.162 1.00 3.22 H ATOM 106 HB2 PRO A 8 -3.441 11.440 -4.754 1.00 33.42 H ATOM 107 HB3 PRO A 8 -1.998 10.435 -4.928 1.00 24.32 H ATOM 108 HG2 PRO A 8 -2.212 13.335 -4.217 1.00 35.43 H ATOM 109 HG3 PRO A 8 -1.176 12.083 -3.508 1.00 23.30 H ATOM 110 HD2 PRO A 8 -0.264 13.875 -5.321 1.00 5.32 H ATOM 111 HD3 PRO A 8 0.370 12.220 -5.212 1.00 51.43 H ATOM 112 N GLY A 9 -4.757 12.061 -6.724 1.00 40.35 N ATOM 113 CA GLY A 9 -5.977 12.768 -7.067 1.00 12.30 C ATOM 114 C GLY A 9 -6.479 13.642 -5.934 1.00 65.12 C ATOM 115 O GLY A 9 -5.700 14.353 -5.299 1.00 55.11 O ATOM 116 H GLY A 9 -4.807 11.180 -6.298 1.00 43.11 H ATOM 117 HA2 GLY A 9 -5.791 13.389 -7.931 1.00 24.42 H ATOM 118 HA3 GLY A 9 -6.741 12.046 -7.314 1.00 32.44 H ATOM 119 N MET A 10 -7.782 13.590 -5.681 1.00 72.03 N ATOM 120 CA MET A 10 -8.386 14.384 -4.617 1.00 71.33 C ATOM 121 C MET A 10 -7.671 14.148 -3.291 1.00 33.24 C ATOM 122 O MET A 10 -6.909 14.996 -2.825 1.00 61.34 O ATOM 123 CB MET A 10 -9.871 14.043 -4.478 1.00 20.13 C ATOM 124 CG MET A 10 -10.792 15.057 -5.137 1.00 22.10 C ATOM 125 SD MET A 10 -11.820 15.939 -3.947 1.00 24.34 S ATOM 126 CE MET A 10 -13.245 16.333 -4.957 1.00 0.41 C ATOM 127 H MET A 10 -8.352 13.004 -6.222 1.00 20.20 H ATOM 128 HA MET A 10 -8.289 15.425 -4.885 1.00 43.02 H ATOM 129 HB2 MET A 10 -10.051 13.079 -4.929 1.00 22.41 H ATOM 130 HB3 MET A 10 -10.120 13.993 -3.428 1.00 62.42 H ATOM 131 HG2 MET A 10 -10.190 15.776 -5.673 1.00 22.34 H ATOM 132 HG3 MET A 10 -11.434 14.539 -5.833 1.00 74.24 H ATOM 133 HE1 MET A 10 -13.444 17.394 -4.900 1.00 23.13 H ATOM 134 HE2 MET A 10 -13.047 16.059 -5.982 1.00 44.35 H ATOM 135 HE3 MET A 10 -14.103 15.786 -4.597 1.00 74.33 H ATOM 136 N HIS A 11 -7.923 12.991 -2.685 1.00 43.24 N ATOM 137 CA HIS A 11 -7.302 12.644 -1.412 1.00 14.23 C ATOM 138 C HIS A 11 -5.845 12.238 -1.610 1.00 12.12 C ATOM 139 O HIS A 11 -5.550 11.096 -1.962 1.00 31.34 O ATOM 140 CB HIS A 11 -8.073 11.509 -0.738 1.00 33.15 C ATOM 141 CG HIS A 11 -9.558 11.706 -0.744 1.00 41.41 C ATOM 142 ND1 HIS A 11 -10.160 12.898 -0.400 1.00 52.22 N ATOM 143 CD2 HIS A 11 -10.563 10.855 -1.057 1.00 42.45 C ATOM 144 CE1 HIS A 11 -11.471 12.771 -0.500 1.00 13.20 C ATOM 145 NE2 HIS A 11 -11.742 11.541 -0.898 1.00 2.14 N ATOM 146 H HIS A 11 -8.539 12.356 -3.106 1.00 13.34 H ATOM 147 HA HIS A 11 -7.337 13.517 -0.778 1.00 3.05 H ATOM 148 HB2 HIS A 11 -7.860 10.583 -1.251 1.00 50.13 H ATOM 149 HB3 HIS A 11 -7.753 11.426 0.291 1.00 13.12 H ATOM 150 HD1 HIS A 11 -9.696 13.715 -0.123 1.00 23.34 H ATOM 151 HD2 HIS A 11 -10.458 9.827 -1.374 1.00 42.13 H ATOM 152 HE1 HIS A 11 -12.199 13.542 -0.293 1.00 22.45 H ATOM 153 N LYS A 12 -4.937 13.181 -1.382 1.00 51.14 N ATOM 154 CA LYS A 12 -3.510 12.923 -1.535 1.00 33.40 C ATOM 155 C LYS A 12 -3.016 11.951 -0.468 1.00 72.43 C ATOM 156 O LYS A 12 -1.908 11.422 -0.561 1.00 72.53 O ATOM 157 CB LYS A 12 -2.722 14.232 -1.451 1.00 71.25 C ATOM 158 CG LYS A 12 -3.208 15.297 -2.419 1.00 63.13 C ATOM 159 CD LYS A 12 -2.661 16.668 -2.059 1.00 54.33 C ATOM 160 CE LYS A 12 -3.563 17.780 -2.574 1.00 1.01 C ATOM 161 NZ LYS A 12 -3.027 19.128 -2.239 1.00 10.42 N ATOM 162 H LYS A 12 -5.234 14.073 -1.104 1.00 11.21 H ATOM 163 HA LYS A 12 -3.355 12.480 -2.507 1.00 53.44 H ATOM 164 HB2 LYS A 12 -2.803 14.623 -0.448 1.00 45.00 H ATOM 165 HB3 LYS A 12 -1.683 14.027 -1.666 1.00 71.34 H ATOM 166 HG2 LYS A 12 -2.880 15.041 -3.416 1.00 51.21 H ATOM 167 HG3 LYS A 12 -4.288 15.331 -2.391 1.00 24.31 H ATOM 168 HD2 LYS A 12 -2.589 16.747 -0.985 1.00 15.13 H ATOM 169 HD3 LYS A 12 -1.679 16.781 -2.497 1.00 14.21 H ATOM 170 HE2 LYS A 12 -3.646 17.691 -3.646 1.00 44.32 H ATOM 171 HE3 LYS A 12 -4.540 17.669 -2.127 1.00 61.11 H ATOM 172 HZ1 LYS A 12 -3.095 19.756 -3.065 1.00 75.12 H ATOM 173 HZ2 LYS A 12 -2.029 19.055 -1.954 1.00 14.43 H ATOM 174 HZ3 LYS A 12 -3.570 19.544 -1.455 1.00 41.13 H ATOM 175 N CYS A 13 -3.845 11.719 0.544 1.00 74.52 N ATOM 176 CA CYS A 13 -3.494 10.809 1.628 1.00 41.31 C ATOM 177 C CYS A 13 -4.022 9.404 1.352 1.00 1.42 C ATOM 178 O CYS A 13 -4.422 8.689 2.270 1.00 34.43 O ATOM 179 CB CYS A 13 -4.053 11.325 2.955 1.00 31.24 C ATOM 180 SG CYS A 13 -3.149 12.750 3.640 1.00 45.33 S ATOM 181 H CYS A 13 -4.716 12.170 0.563 1.00 42.35 H ATOM 182 HA CYS A 13 -2.417 10.770 1.692 1.00 72.40 H ATOM 183 HB2 CYS A 13 -5.080 11.627 2.811 1.00 13.13 H ATOM 184 HB3 CYS A 13 -4.016 10.530 3.686 1.00 53.04 H ATOM 185 N VAL A 14 -4.019 9.016 0.081 1.00 71.11 N ATOM 186 CA VAL A 14 -4.496 7.697 -0.316 1.00 71.34 C ATOM 187 C VAL A 14 -3.662 6.594 0.326 1.00 11.24 C ATOM 188 O VAL A 14 -4.199 5.603 0.822 1.00 12.22 O ATOM 189 CB VAL A 14 -4.462 7.525 -1.847 1.00 0.03 C ATOM 190 CG1 VAL A 14 -3.072 7.826 -2.387 1.00 55.52 C ATOM 191 CG2 VAL A 14 -4.901 6.121 -2.235 1.00 0.22 C ATOM 192 H VAL A 14 -3.688 9.631 -0.606 1.00 45.10 H ATOM 193 HA VAL A 14 -5.520 7.599 0.013 1.00 33.31 H ATOM 194 HB VAL A 14 -5.154 8.230 -2.283 1.00 75.42 H ATOM 195 HG11 VAL A 14 -2.561 8.496 -1.711 1.00 53.43 H ATOM 196 HG12 VAL A 14 -2.513 6.907 -2.476 1.00 71.23 H ATOM 197 HG13 VAL A 14 -3.157 8.292 -3.358 1.00 55.12 H ATOM 198 HG21 VAL A 14 -5.905 5.946 -1.877 1.00 64.44 H ATOM 199 HG22 VAL A 14 -4.878 6.022 -3.310 1.00 14.12 H ATOM 200 HG23 VAL A 14 -4.230 5.399 -1.793 1.00 32.52 H ATOM 201 N CYS A 15 -2.345 6.773 0.315 1.00 14.11 N ATOM 202 CA CYS A 15 -1.435 5.794 0.897 1.00 52.11 C ATOM 203 C CYS A 15 -1.539 5.792 2.419 1.00 0.44 C ATOM 204 O CYS A 15 -0.956 4.941 3.092 1.00 61.44 O ATOM 205 CB CYS A 15 0.005 6.091 0.473 1.00 33.43 C ATOM 206 SG CYS A 15 1.184 4.758 0.863 1.00 31.10 S ATOM 207 H CYS A 15 -1.976 7.584 -0.095 1.00 72.01 H ATOM 208 HA CYS A 15 -1.716 4.819 0.528 1.00 12.43 H ATOM 209 HB2 CYS A 15 0.032 6.250 -0.595 1.00 12.11 H ATOM 210 HB3 CYS A 15 0.342 6.986 0.974 1.00 22.12 H ATOM 211 N LEU A 16 -2.285 6.751 2.957 1.00 41.21 N ATOM 212 CA LEU A 16 -2.466 6.861 4.400 1.00 12.02 C ATOM 213 C LEU A 16 -3.766 7.587 4.732 1.00 32.31 C ATOM 214 O LEU A 16 -3.755 8.658 5.338 1.00 44.50 O ATOM 215 CB LEU A 16 -1.282 7.599 5.028 1.00 34.31 C ATOM 216 CG LEU A 16 -1.047 9.028 4.539 1.00 5.22 C ATOM 217 CD1 LEU A 16 -0.520 9.899 5.669 1.00 30.15 C ATOM 218 CD2 LEU A 16 -0.081 9.037 3.363 1.00 54.13 C ATOM 219 H LEU A 16 -2.725 7.401 2.370 1.00 24.04 H ATOM 220 HA LEU A 16 -2.513 5.861 4.805 1.00 3.12 H ATOM 221 HB2 LEU A 16 -1.444 7.637 6.094 1.00 34.33 H ATOM 222 HB3 LEU A 16 -0.390 7.026 4.822 1.00 65.44 H ATOM 223 HG LEU A 16 -1.986 9.447 4.206 1.00 41.44 H ATOM 224 HD11 LEU A 16 -1.305 10.064 6.392 1.00 25.43 H ATOM 225 HD12 LEU A 16 -0.193 10.848 5.270 1.00 20.45 H ATOM 226 HD13 LEU A 16 0.313 9.404 6.147 1.00 33.53 H ATOM 227 HD21 LEU A 16 0.184 10.056 3.123 1.00 63.21 H ATOM 228 HD22 LEU A 16 -0.553 8.577 2.507 1.00 33.32 H ATOM 229 HD23 LEU A 16 0.809 8.484 3.624 1.00 61.44 H ATOM 230 N LYS A 17 -4.887 6.995 4.333 1.00 63.40 N ATOM 231 CA LYS A 17 -6.196 7.582 4.590 1.00 33.43 C ATOM 232 C LYS A 17 -6.306 8.054 6.037 1.00 74.53 C ATOM 233 O LYS A 17 -7.085 8.955 6.350 1.00 60.15 O ATOM 234 CB LYS A 17 -7.301 6.567 4.288 1.00 32.34 C ATOM 235 CG LYS A 17 -7.189 5.286 5.098 1.00 41.41 C ATOM 236 CD LYS A 17 -8.410 5.073 5.977 1.00 51.34 C ATOM 237 CE LYS A 17 -9.578 4.512 5.181 1.00 55.55 C ATOM 238 NZ LYS A 17 -10.388 3.555 5.984 1.00 60.34 N ATOM 239 H LYS A 17 -4.831 6.141 3.854 1.00 74.30 H ATOM 240 HA LYS A 17 -6.313 8.433 3.937 1.00 63.23 H ATOM 241 HB2 LYS A 17 -8.258 7.020 4.502 1.00 50.15 H ATOM 242 HB3 LYS A 17 -7.260 6.309 3.240 1.00 52.33 H ATOM 243 HG2 LYS A 17 -7.095 4.450 4.421 1.00 15.12 H ATOM 244 HG3 LYS A 17 -6.311 5.344 5.725 1.00 3.14 H ATOM 245 HD2 LYS A 17 -8.160 4.378 6.764 1.00 5.43 H ATOM 246 HD3 LYS A 17 -8.702 6.020 6.409 1.00 45.33 H ATOM 247 HE2 LYS A 17 -10.210 5.330 4.868 1.00 43.10 H ATOM 248 HE3 LYS A 17 -9.192 4.003 4.310 1.00 32.11 H ATOM 249 HZ1 LYS A 17 -10.111 2.578 5.761 1.00 61.44 H ATOM 250 HZ2 LYS A 17 -11.399 3.675 5.770 1.00 62.32 H ATOM 251 HZ3 LYS A 17 -10.238 3.723 6.999 1.00 41.44 H ATOM 252 N THR A 18 -5.521 7.440 6.916 1.00 22.32 N ATOM 253 CA THR A 18 -5.530 7.797 8.329 1.00 2.11 C ATOM 254 C THR A 18 -4.685 9.039 8.587 1.00 4.14 C ATOM 255 O THR A 18 -4.090 9.187 9.656 1.00 52.13 O ATOM 256 CB THR A 18 -5.006 6.643 9.204 1.00 32.40 C ATOM 257 OG1 THR A 18 -5.287 6.907 10.583 1.00 22.11 O ATOM 258 CG2 THR A 18 -3.509 6.455 9.013 1.00 62.11 C ATOM 259 H THR A 18 -4.922 6.729 6.606 1.00 62.11 H ATOM 260 HA THR A 18 -6.551 8.003 8.615 1.00 73.34 H ATOM 261 HB THR A 18 -5.509 5.732 8.910 1.00 3.03 H ATOM 262 HG1 THR A 18 -6.178 7.255 10.667 1.00 3.45 H ATOM 263 HG21 THR A 18 -3.189 6.990 8.131 1.00 32.52 H ATOM 264 HG22 THR A 18 -3.290 5.404 8.895 1.00 23.14 H ATOM 265 HG23 THR A 18 -2.985 6.838 9.876 1.00 20.10 H ATOM 266 N CYS A 19 -4.635 9.931 7.603 1.00 32.34 N ATOM 267 CA CYS A 19 -3.863 11.161 7.724 1.00 42.23 C ATOM 268 C CYS A 19 -4.180 11.877 9.034 1.00 72.24 C ATOM 269 O CYS A 19 -5.284 12.389 9.220 1.00 1.32 O ATOM 270 CB CYS A 19 -4.152 12.087 6.541 1.00 50.42 C ATOM 271 SG CYS A 19 -2.687 12.488 5.535 1.00 51.22 S ATOM 272 H CYS A 19 -5.131 9.757 6.775 1.00 64.22 H ATOM 273 HA CYS A 19 -2.816 10.898 7.716 1.00 10.21 H ATOM 274 HB2 CYS A 19 -4.876 11.615 5.892 1.00 4.13 H ATOM 275 HB3 CYS A 19 -4.561 13.016 6.912 1.00 62.43 H TER 276 CYS A 19 ENDMDL MODEL 8 ATOM 1 N ASP A 1 0.963 1.109 0.598 1.00 14.30 N ATOM 2 CA ASP A 1 1.391 0.718 -0.740 1.00 24.43 C ATOM 3 C ASP A 1 1.695 1.944 -1.594 1.00 51.50 C ATOM 4 O ASP A 1 2.693 1.981 -2.314 1.00 51.23 O ATOM 5 CB ASP A 1 0.316 -0.135 -1.414 1.00 32.41 C ATOM 6 CG ASP A 1 -0.193 -1.244 -0.513 1.00 40.23 C ATOM 7 OD1 ASP A 1 0.613 -2.121 -0.140 1.00 71.53 O ATOM 8 OD2 ASP A 1 -1.397 -1.234 -0.182 1.00 73.02 O ATOM 9 H1 ASP A 1 1.625 1.149 1.320 1.00 34.30 H ATOM 10 HA ASP A 1 2.293 0.132 -0.641 1.00 33.32 H ATOM 11 HB2 ASP A 1 -0.519 0.496 -1.683 1.00 62.30 H ATOM 12 HB3 ASP A 1 0.727 -0.582 -2.307 1.00 41.32 H ATOM 13 N CYS A 2 0.827 2.947 -1.510 1.00 11.12 N ATOM 14 CA CYS A 2 1.000 4.175 -2.276 1.00 1.43 C ATOM 15 C CYS A 2 0.903 3.901 -3.774 1.00 30.34 C ATOM 16 O CYS A 2 1.174 2.797 -4.246 1.00 62.25 O ATOM 17 CB CYS A 2 2.350 4.818 -1.950 1.00 51.13 C ATOM 18 SG CYS A 2 2.723 4.902 -0.169 1.00 64.13 S ATOM 19 H CYS A 2 0.050 2.859 -0.918 1.00 32.23 H ATOM 20 HA CYS A 2 0.210 4.856 -1.995 1.00 65.32 H ATOM 21 HB2 CYS A 2 3.135 4.246 -2.423 1.00 43.53 H ATOM 22 HB3 CYS A 2 2.363 5.826 -2.337 1.00 54.24 H ATOM 23 N PRO A 3 0.507 4.929 -4.539 1.00 70.51 N ATOM 24 CA PRO A 3 0.366 4.823 -5.994 1.00 54.34 C ATOM 25 C PRO A 3 1.711 4.689 -6.699 1.00 41.33 C ATOM 26 O PRO A 3 2.771 4.900 -6.110 1.00 45.12 O ATOM 27 CB PRO A 3 -0.312 6.140 -6.381 1.00 41.31 C ATOM 28 CG PRO A 3 0.066 7.092 -5.299 1.00 52.54 C ATOM 29 CD PRO A 3 0.167 6.273 -4.043 1.00 23.31 C ATOM 30 HA PRO A 3 -0.269 3.995 -6.272 1.00 72.34 H ATOM 31 HB2 PRO A 3 0.056 6.468 -7.343 1.00 52.14 H ATOM 32 HB3 PRO A 3 -1.381 5.999 -6.427 1.00 52.30 H ATOM 33 HG2 PRO A 3 1.017 7.549 -5.527 1.00 70.23 H ATOM 34 HG3 PRO A 3 -0.698 7.848 -5.193 1.00 15.03 H ATOM 35 HD2 PRO A 3 0.949 6.657 -3.404 1.00 35.32 H ATOM 36 HD3 PRO A 3 -0.779 6.263 -3.521 1.00 65.34 H ATOM 37 N PRO A 4 1.670 4.331 -7.991 1.00 61.22 N ATOM 38 CA PRO A 4 2.878 4.162 -8.804 1.00 70.25 C ATOM 39 C PRO A 4 3.573 5.488 -9.093 1.00 53.22 C ATOM 40 O PRO A 4 4.791 5.604 -8.959 1.00 44.24 O ATOM 41 CB PRO A 4 2.349 3.542 -10.100 1.00 62.03 C ATOM 42 CG PRO A 4 0.928 3.982 -10.178 1.00 71.41 C ATOM 43 CD PRO A 4 0.441 4.063 -8.758 1.00 5.55 C ATOM 44 HA PRO A 4 3.578 3.484 -8.339 1.00 22.13 H ATOM 45 HB2 PRO A 4 2.924 3.910 -10.939 1.00 32.31 H ATOM 46 HB3 PRO A 4 2.427 2.467 -10.047 1.00 62.53 H ATOM 47 HG2 PRO A 4 0.868 4.950 -10.651 1.00 62.23 H ATOM 48 HG3 PRO A 4 0.349 3.256 -10.731 1.00 24.05 H ATOM 49 HD2 PRO A 4 -0.266 4.872 -8.647 1.00 3.12 H ATOM 50 HD3 PRO A 4 -0.004 3.127 -8.456 1.00 64.45 H ATOM 51 N HIS A 5 2.790 6.487 -9.489 1.00 62.05 N ATOM 52 CA HIS A 5 3.331 7.806 -9.796 1.00 50.51 C ATOM 53 C HIS A 5 2.871 8.835 -8.767 1.00 73.22 C ATOM 54 O HIS A 5 1.850 8.666 -8.099 1.00 44.40 O ATOM 55 CB HIS A 5 2.903 8.243 -11.197 1.00 40.25 C ATOM 56 CG HIS A 5 1.461 7.968 -11.496 1.00 44.44 C ATOM 57 ND1 HIS A 5 0.428 8.717 -10.974 1.00 4.53 N ATOM 58 CD2 HIS A 5 0.883 7.021 -12.271 1.00 32.13 C ATOM 59 CE1 HIS A 5 -0.723 8.242 -11.412 1.00 73.52 C ATOM 60 NE2 HIS A 5 -0.475 7.212 -12.202 1.00 33.05 N ATOM 61 H HIS A 5 1.827 6.333 -9.577 1.00 74.02 H ATOM 62 HA HIS A 5 4.408 7.739 -9.763 1.00 12.54 H ATOM 63 HB2 HIS A 5 3.066 9.306 -11.302 1.00 21.24 H ATOM 64 HB3 HIS A 5 3.500 7.719 -11.929 1.00 64.43 H ATOM 65 HD1 HIS A 5 0.525 9.483 -10.370 1.00 30.21 H ATOM 66 HD2 HIS A 5 1.394 6.256 -12.838 1.00 31.50 H ATOM 67 HE1 HIS A 5 -1.701 8.628 -11.168 1.00 14.10 H ATOM 68 N PRO A 6 3.640 9.926 -8.635 1.00 30.52 N ATOM 69 CA PRO A 6 3.331 11.002 -7.689 1.00 50.10 C ATOM 70 C PRO A 6 2.099 11.801 -8.102 1.00 64.21 C ATOM 71 O PRO A 6 1.384 11.423 -9.030 1.00 64.22 O ATOM 72 CB PRO A 6 4.581 11.885 -7.735 1.00 71.54 C ATOM 73 CG PRO A 6 5.175 11.629 -9.077 1.00 44.13 C ATOM 74 CD PRO A 6 4.870 10.192 -9.399 1.00 4.14 C ATOM 75 HA PRO A 6 3.193 10.623 -6.687 1.00 61.41 H ATOM 76 HB2 PRO A 6 4.297 12.921 -7.619 1.00 2.12 H ATOM 77 HB3 PRO A 6 5.257 11.599 -6.944 1.00 11.25 H ATOM 78 HG2 PRO A 6 4.724 12.281 -9.809 1.00 53.12 H ATOM 79 HG3 PRO A 6 6.243 11.786 -9.041 1.00 43.01 H ATOM 80 HD2 PRO A 6 4.701 10.070 -10.458 1.00 53.21 H ATOM 81 HD3 PRO A 6 5.675 9.552 -9.067 1.00 41.44 H ATOM 82 N VAL A 7 1.857 12.908 -7.407 1.00 61.21 N ATOM 83 CA VAL A 7 0.712 13.761 -7.703 1.00 24.00 C ATOM 84 C VAL A 7 -0.576 12.949 -7.766 1.00 54.12 C ATOM 85 O VAL A 7 -1.093 12.641 -8.840 1.00 55.44 O ATOM 86 CB VAL A 7 0.900 14.510 -9.036 1.00 3.04 C ATOM 87 CG1 VAL A 7 -0.313 15.377 -9.337 1.00 22.13 C ATOM 88 CG2 VAL A 7 2.169 15.348 -9.001 1.00 4.10 C ATOM 89 H VAL A 7 2.463 13.157 -6.679 1.00 22.14 H ATOM 90 HA VAL A 7 0.628 14.492 -6.912 1.00 54.11 H ATOM 91 HB VAL A 7 0.998 13.780 -9.825 1.00 71.53 H ATOM 92 HG11 VAL A 7 -1.007 15.324 -8.511 1.00 22.43 H ATOM 93 HG12 VAL A 7 0.002 16.400 -9.479 1.00 0.43 H ATOM 94 HG13 VAL A 7 -0.796 15.020 -10.235 1.00 5.52 H ATOM 95 HG21 VAL A 7 2.353 15.765 -9.980 1.00 30.11 H ATOM 96 HG22 VAL A 7 2.052 16.148 -8.285 1.00 24.53 H ATOM 97 HG23 VAL A 7 3.004 14.726 -8.713 1.00 25.04 H ATOM 98 N PRO A 8 -1.110 12.593 -6.588 1.00 63.12 N ATOM 99 CA PRO A 8 -2.346 11.813 -6.483 1.00 31.54 C ATOM 100 C PRO A 8 -3.574 12.611 -6.908 1.00 64.20 C ATOM 101 O PRO A 8 -3.455 13.713 -7.441 1.00 11.53 O ATOM 102 CB PRO A 8 -2.422 11.468 -4.993 1.00 51.20 C ATOM 103 CG PRO A 8 -1.646 12.544 -4.315 1.00 41.24 C ATOM 104 CD PRO A 8 -0.547 12.925 -5.269 1.00 10.15 C ATOM 105 HA PRO A 8 -2.291 10.902 -7.062 1.00 15.42 H ATOM 106 HB2 PRO A 8 -3.455 11.464 -4.674 1.00 41.21 H ATOM 107 HB3 PRO A 8 -1.983 10.497 -4.821 1.00 42.14 H ATOM 108 HG2 PRO A 8 -2.285 13.392 -4.122 1.00 52.11 H ATOM 109 HG3 PRO A 8 -1.228 12.169 -3.393 1.00 0.42 H ATOM 110 HD2 PRO A 8 -0.333 13.981 -5.195 1.00 50.13 H ATOM 111 HD3 PRO A 8 0.342 12.344 -5.072 1.00 34.43 H ATOM 112 N GLY A 9 -4.753 12.046 -6.669 1.00 15.32 N ATOM 113 CA GLY A 9 -5.986 12.720 -7.033 1.00 41.24 C ATOM 114 C GLY A 9 -6.507 13.615 -5.927 1.00 3.25 C ATOM 115 O GLY A 9 -5.745 14.362 -5.313 1.00 41.23 O ATOM 116 H GLY A 9 -4.787 11.165 -6.241 1.00 72.12 H ATOM 117 HA2 GLY A 9 -5.809 13.320 -7.914 1.00 23.32 H ATOM 118 HA3 GLY A 9 -6.735 11.976 -7.262 1.00 14.55 H ATOM 119 N MET A 10 -7.809 13.541 -5.671 1.00 41.32 N ATOM 120 CA MET A 10 -8.430 14.352 -4.631 1.00 14.24 C ATOM 121 C MET A 10 -7.728 14.151 -3.292 1.00 24.41 C ATOM 122 O MET A 10 -6.977 15.014 -2.837 1.00 44.44 O ATOM 123 CB MET A 10 -9.914 14.002 -4.499 1.00 22.30 C ATOM 124 CG MET A 10 -10.836 14.996 -5.185 1.00 74.02 C ATOM 125 SD MET A 10 -12.374 15.256 -4.280 1.00 71.41 S ATOM 126 CE MET A 10 -13.568 15.182 -5.613 1.00 71.12 C ATOM 127 H MET A 10 -8.365 12.927 -6.194 1.00 33.31 H ATOM 128 HA MET A 10 -8.339 15.388 -4.920 1.00 1.45 H ATOM 129 HB2 MET A 10 -10.081 13.028 -4.934 1.00 75.04 H ATOM 130 HB3 MET A 10 -10.172 13.968 -3.451 1.00 54.21 H ATOM 131 HG2 MET A 10 -10.323 15.942 -5.273 1.00 15.12 H ATOM 132 HG3 MET A 10 -11.073 14.625 -6.171 1.00 61.43 H ATOM 133 HE1 MET A 10 -13.257 14.440 -6.334 1.00 63.03 H ATOM 134 HE2 MET A 10 -14.536 14.914 -5.216 1.00 23.43 H ATOM 135 HE3 MET A 10 -13.631 16.147 -6.093 1.00 50.24 H ATOM 136 N HIS A 11 -7.976 13.005 -2.664 1.00 52.44 N ATOM 137 CA HIS A 11 -7.366 12.691 -1.377 1.00 75.12 C ATOM 138 C HIS A 11 -5.899 12.311 -1.550 1.00 20.34 C ATOM 139 O HIS A 11 -5.578 11.176 -1.903 1.00 22.23 O ATOM 140 CB HIS A 11 -8.124 11.551 -0.695 1.00 41.22 C ATOM 141 CG HIS A 11 -9.612 11.719 -0.725 1.00 21.13 C ATOM 142 ND1 HIS A 11 -10.278 12.659 0.032 1.00 54.51 N ATOM 143 CD2 HIS A 11 -10.563 11.060 -1.427 1.00 52.31 C ATOM 144 CE1 HIS A 11 -11.576 12.571 -0.203 1.00 5.15 C ATOM 145 NE2 HIS A 11 -11.775 11.608 -1.085 1.00 2.53 N ATOM 146 H HIS A 11 -8.584 12.357 -3.077 1.00 65.30 H ATOM 147 HA HIS A 11 -7.426 13.573 -0.758 1.00 34.34 H ATOM 148 HB2 HIS A 11 -7.885 10.622 -1.191 1.00 74.11 H ATOM 149 HB3 HIS A 11 -7.816 11.491 0.339 1.00 53.21 H ATOM 150 HD1 HIS A 11 -9.863 13.296 0.650 1.00 63.22 H ATOM 151 HD2 HIS A 11 -10.401 10.253 -2.127 1.00 65.32 H ATOM 152 HE1 HIS A 11 -12.343 13.182 0.249 1.00 22.33 H ATOM 153 N LYS A 12 -5.012 13.267 -1.299 1.00 4.41 N ATOM 154 CA LYS A 12 -3.578 13.034 -1.426 1.00 1.04 C ATOM 155 C LYS A 12 -3.087 12.067 -0.353 1.00 73.20 C ATOM 156 O LYS A 12 -1.968 11.558 -0.426 1.00 53.03 O ATOM 157 CB LYS A 12 -2.814 14.356 -1.323 1.00 11.21 C ATOM 158 CG LYS A 12 -3.214 15.373 -2.378 1.00 14.34 C ATOM 159 CD LYS A 12 -1.999 16.048 -2.991 1.00 11.42 C ATOM 160 CE LYS A 12 -2.400 17.210 -3.888 1.00 22.42 C ATOM 161 NZ LYS A 12 -2.699 16.761 -5.276 1.00 22.31 N ATOM 162 H LYS A 12 -5.329 14.153 -1.021 1.00 31.42 H ATOM 163 HA LYS A 12 -3.397 12.598 -2.396 1.00 52.14 H ATOM 164 HB2 LYS A 12 -2.995 14.788 -0.349 1.00 63.25 H ATOM 165 HB3 LYS A 12 -1.757 14.157 -1.428 1.00 74.32 H ATOM 166 HG2 LYS A 12 -3.766 14.871 -3.158 1.00 61.04 H ATOM 167 HG3 LYS A 12 -3.840 16.126 -1.919 1.00 52.14 H ATOM 168 HD2 LYS A 12 -1.367 16.422 -2.199 1.00 32.23 H ATOM 169 HD3 LYS A 12 -1.453 15.323 -3.578 1.00 11.23 H ATOM 170 HE2 LYS A 12 -3.278 17.681 -3.474 1.00 32.40 H ATOM 171 HE3 LYS A 12 -1.589 17.922 -3.916 1.00 3.24 H ATOM 172 HZ1 LYS A 12 -2.313 15.808 -5.435 1.00 11.25 H ATOM 173 HZ2 LYS A 12 -2.272 17.415 -5.962 1.00 43.14 H ATOM 174 HZ3 LYS A 12 -3.727 16.737 -5.430 1.00 42.11 H ATOM 175 N CYS A 13 -3.932 11.816 0.642 1.00 64.21 N ATOM 176 CA CYS A 13 -3.585 10.909 1.729 1.00 21.23 C ATOM 177 C CYS A 13 -4.084 9.496 1.439 1.00 12.24 C ATOM 178 O CYS A 13 -4.488 8.770 2.348 1.00 64.11 O ATOM 179 CB CYS A 13 -4.177 11.410 3.048 1.00 41.20 C ATOM 180 SG CYS A 13 -3.309 12.847 3.754 1.00 5.50 S ATOM 181 H CYS A 13 -4.810 12.252 0.645 1.00 33.13 H ATOM 182 HA CYS A 13 -2.509 10.887 1.813 1.00 31.21 H ATOM 183 HB2 CYS A 13 -5.206 11.696 2.886 1.00 50.31 H ATOM 184 HB3 CYS A 13 -4.141 10.613 3.776 1.00 42.30 H ATOM 185 N VAL A 14 -4.054 9.113 0.167 1.00 43.22 N ATOM 186 CA VAL A 14 -4.501 7.788 -0.244 1.00 34.34 C ATOM 187 C VAL A 14 -3.659 6.697 0.409 1.00 74.13 C ATOM 188 O VAL A 14 -4.188 5.695 0.891 1.00 24.34 O ATOM 189 CB VAL A 14 -4.439 7.623 -1.774 1.00 11.13 C ATOM 190 CG1 VAL A 14 -3.046 7.951 -2.290 1.00 33.11 C ATOM 191 CG2 VAL A 14 -4.847 6.213 -2.175 1.00 11.55 C ATOM 192 H VAL A 14 -3.721 9.737 -0.512 1.00 74.21 H ATOM 193 HA VAL A 14 -5.529 7.671 0.068 1.00 31.15 H ATOM 194 HB VAL A 14 -5.136 8.317 -2.219 1.00 15.41 H ATOM 195 HG11 VAL A 14 -2.469 7.041 -2.370 1.00 53.34 H ATOM 196 HG12 VAL A 14 -3.123 8.418 -3.261 1.00 64.41 H ATOM 197 HG13 VAL A 14 -2.558 8.626 -1.603 1.00 1.31 H ATOM 198 HG21 VAL A 14 -4.172 5.501 -1.725 1.00 1.14 H ATOM 199 HG22 VAL A 14 -5.854 6.021 -1.835 1.00 23.32 H ATOM 200 HG23 VAL A 14 -4.806 6.118 -3.250 1.00 40.31 H ATOM 201 N CYS A 15 -2.346 6.898 0.420 1.00 10.42 N ATOM 202 CA CYS A 15 -1.429 5.933 1.013 1.00 21.42 C ATOM 203 C CYS A 15 -1.557 5.923 2.534 1.00 52.33 C ATOM 204 O CYS A 15 -0.970 5.079 3.212 1.00 13.33 O ATOM 205 CB CYS A 15 0.012 6.255 0.614 1.00 64.10 C ATOM 206 SG CYS A 15 1.207 4.941 1.018 1.00 64.41 S ATOM 207 H CYS A 15 -1.984 7.717 0.020 1.00 50.35 H ATOM 208 HA CYS A 15 -1.687 4.955 0.637 1.00 74.34 H ATOM 209 HB2 CYS A 15 0.054 6.419 -0.453 1.00 41.11 H ATOM 210 HB3 CYS A 15 0.327 7.154 1.124 1.00 73.34 H ATOM 211 N LEU A 16 -2.328 6.867 3.062 1.00 34.14 N ATOM 212 CA LEU A 16 -2.535 6.968 4.503 1.00 1.10 C ATOM 213 C LEU A 16 -3.852 7.670 4.816 1.00 13.23 C ATOM 214 O LEU A 16 -3.869 8.739 5.426 1.00 10.44 O ATOM 215 CB LEU A 16 -1.374 7.724 5.153 1.00 72.43 C ATOM 216 CG LEU A 16 -1.154 9.158 4.672 1.00 54.31 C ATOM 217 CD1 LEU A 16 -0.655 10.033 5.812 1.00 62.44 C ATOM 218 CD2 LEU A 16 -0.175 9.186 3.507 1.00 15.41 C ATOM 219 H LEU A 16 -2.770 7.511 2.471 1.00 1.21 H ATOM 220 HA LEU A 16 -2.571 5.966 4.904 1.00 43.03 H ATOM 221 HB2 LEU A 16 -1.555 7.755 6.216 1.00 4.51 H ATOM 222 HB3 LEU A 16 -0.469 7.166 4.959 1.00 4.24 H ATOM 223 HG LEU A 16 -2.096 9.564 4.328 1.00 1.55 H ATOM 224 HD11 LEU A 16 0.186 9.554 6.290 1.00 2.21 H ATOM 225 HD12 LEU A 16 -1.447 10.173 6.532 1.00 72.52 H ATOM 226 HD13 LEU A 16 -0.350 10.993 5.422 1.00 62.35 H ATOM 227 HD21 LEU A 16 0.297 10.156 3.457 1.00 12.21 H ATOM 228 HD22 LEU A 16 -0.707 8.996 2.586 1.00 1.43 H ATOM 229 HD23 LEU A 16 0.578 8.425 3.652 1.00 53.25 H ATOM 230 N LYS A 17 -4.956 7.061 4.397 1.00 61.34 N ATOM 231 CA LYS A 17 -6.279 7.624 4.635 1.00 54.34 C ATOM 232 C LYS A 17 -6.421 8.088 6.081 1.00 73.21 C ATOM 233 O LYS A 17 -7.220 8.974 6.385 1.00 53.34 O ATOM 234 CB LYS A 17 -7.362 6.592 4.310 1.00 3.12 C ATOM 235 CG LYS A 17 -7.240 5.310 5.115 1.00 33.15 C ATOM 236 CD LYS A 17 -8.435 5.112 6.033 1.00 54.31 C ATOM 237 CE LYS A 17 -8.717 3.637 6.272 1.00 25.20 C ATOM 238 NZ LYS A 17 -10.094 3.259 5.850 1.00 2.12 N ATOM 239 H LYS A 17 -4.878 6.210 3.915 1.00 32.12 H ATOM 240 HA LYS A 17 -6.399 8.476 3.983 1.00 55.22 H ATOM 241 HB2 LYS A 17 -8.329 7.028 4.510 1.00 34.11 H ATOM 242 HB3 LYS A 17 -7.299 6.341 3.261 1.00 34.41 H ATOM 243 HG2 LYS A 17 -7.180 4.473 4.436 1.00 63.11 H ATOM 244 HG3 LYS A 17 -6.342 5.356 5.714 1.00 22.44 H ATOM 245 HD2 LYS A 17 -8.233 5.587 6.982 1.00 64.35 H ATOM 246 HD3 LYS A 17 -9.305 5.567 5.580 1.00 71.14 H ATOM 247 HE2 LYS A 17 -8.004 3.052 5.710 1.00 13.41 H ATOM 248 HE3 LYS A 17 -8.602 3.428 7.325 1.00 2.35 H ATOM 249 HZ1 LYS A 17 -10.191 2.224 5.832 1.00 31.02 H ATOM 250 HZ2 LYS A 17 -10.291 3.632 4.899 1.00 22.13 H ATOM 251 HZ3 LYS A 17 -10.791 3.651 6.515 1.00 71.23 H ATOM 252 N THR A 18 -5.640 7.484 6.971 1.00 62.42 N ATOM 253 CA THR A 18 -5.678 7.835 8.385 1.00 73.43 C ATOM 254 C THR A 18 -4.859 9.089 8.662 1.00 5.52 C ATOM 255 O THR A 18 -4.285 9.243 9.741 1.00 64.32 O ATOM 256 CB THR A 18 -5.150 6.685 9.263 1.00 3.15 C ATOM 257 OG1 THR A 18 -5.458 6.938 10.639 1.00 45.52 O ATOM 258 CG2 THR A 18 -3.646 6.524 9.096 1.00 33.35 C ATOM 259 H THR A 18 -5.024 6.785 6.667 1.00 23.44 H ATOM 260 HA THR A 18 -6.708 8.022 8.654 1.00 23.41 H ATOM 261 HB THR A 18 -5.632 5.768 8.958 1.00 64.54 H ATOM 262 HG1 THR A 18 -6.370 6.695 10.813 1.00 51.14 H ATOM 263 HG21 THR A 18 -3.320 7.074 8.227 1.00 0.53 H ATOM 264 HG22 THR A 18 -3.408 5.478 8.970 1.00 73.13 H ATOM 265 HG23 THR A 18 -3.144 6.904 9.973 1.00 21.24 H ATOM 266 N CYS A 19 -4.808 9.986 7.683 1.00 41.02 N ATOM 267 CA CYS A 19 -4.059 11.229 7.821 1.00 25.10 C ATOM 268 C CYS A 19 -4.410 11.933 9.128 1.00 3.34 C ATOM 269 O CYS A 19 -4.116 13.116 9.306 1.00 71.43 O ATOM 270 CB CYS A 19 -4.344 12.155 6.637 1.00 3.22 C ATOM 271 SG CYS A 19 -2.870 12.580 5.654 1.00 73.24 S ATOM 272 H CYS A 19 -5.286 9.807 6.845 1.00 15.44 H ATOM 273 HA CYS A 19 -3.007 10.984 7.830 1.00 75.51 H ATOM 274 HB2 CYS A 19 -5.051 11.675 5.977 1.00 53.21 H ATOM 275 HB3 CYS A 19 -4.771 13.076 7.005 1.00 5.34 H TER 276 CYS A 19 ENDMDL MODEL 9 ATOM 1 N ASP A 1 -0.469 -0.427 -0.132 1.00 52.12 N ATOM 2 CA ASP A 1 0.612 -0.045 -1.033 1.00 25.51 C ATOM 3 C ASP A 1 0.299 1.275 -1.730 1.00 22.13 C ATOM 4 O ASP A 1 -0.813 1.484 -2.216 1.00 4.10 O ATOM 5 CB ASP A 1 0.849 -1.142 -2.073 1.00 2.31 C ATOM 6 CG ASP A 1 0.936 -2.521 -1.450 1.00 64.33 C ATOM 7 OD1 ASP A 1 1.586 -2.654 -0.393 1.00 24.34 O ATOM 8 OD2 ASP A 1 0.355 -3.468 -2.021 1.00 64.14 O ATOM 9 H1 ASP A 1 -1.397 -0.333 -0.433 1.00 15.11 H ATOM 10 HA ASP A 1 1.508 0.077 -0.443 1.00 11.24 H ATOM 11 HB2 ASP A 1 0.034 -1.138 -2.782 1.00 62.31 H ATOM 12 HB3 ASP A 1 1.774 -0.942 -2.593 1.00 4.41 H ATOM 13 N CYS A 2 1.286 2.164 -1.774 1.00 21.44 N ATOM 14 CA CYS A 2 1.117 3.465 -2.409 1.00 74.30 C ATOM 15 C CYS A 2 1.258 3.353 -3.924 1.00 64.43 C ATOM 16 O CYS A 2 1.926 2.459 -4.446 1.00 34.00 O ATOM 17 CB CYS A 2 2.142 4.460 -1.862 1.00 55.20 C ATOM 18 SG CYS A 2 2.330 4.413 -0.051 1.00 3.32 S ATOM 19 H CYS A 2 2.151 1.939 -1.368 1.00 54.01 H ATOM 20 HA CYS A 2 0.124 3.820 -2.178 1.00 51.02 H ATOM 21 HB2 CYS A 2 3.107 4.247 -2.298 1.00 31.03 H ATOM 22 HB3 CYS A 2 1.842 5.461 -2.136 1.00 71.11 H ATOM 23 N PRO A 3 0.617 4.281 -4.649 1.00 15.12 N ATOM 24 CA PRO A 3 0.656 4.309 -6.114 1.00 24.01 C ATOM 25 C PRO A 3 2.030 4.700 -6.649 1.00 73.22 C ATOM 26 O PRO A 3 2.894 5.182 -5.917 1.00 12.13 O ATOM 27 CB PRO A 3 -0.382 5.374 -6.477 1.00 22.32 C ATOM 28 CG PRO A 3 -0.447 6.262 -5.282 1.00 71.34 C ATOM 29 CD PRO A 3 -0.197 5.376 -4.093 1.00 72.45 C ATOM 30 HA PRO A 3 0.363 3.359 -6.537 1.00 4.22 H ATOM 31 HB2 PRO A 3 -0.055 5.914 -7.354 1.00 75.14 H ATOM 32 HB3 PRO A 3 -1.334 4.902 -6.671 1.00 4.45 H ATOM 33 HG2 PRO A 3 0.314 7.024 -5.349 1.00 65.51 H ATOM 34 HG3 PRO A 3 -1.426 6.713 -5.214 1.00 31.31 H ATOM 35 HD2 PRO A 3 0.347 5.912 -3.331 1.00 3.33 H ATOM 36 HD3 PRO A 3 -1.130 5.000 -3.700 1.00 12.00 H ATOM 37 N PRO A 4 2.238 4.488 -7.957 1.00 50.32 N ATOM 38 CA PRO A 4 3.505 4.813 -8.620 1.00 32.34 C ATOM 39 C PRO A 4 3.735 6.316 -8.726 1.00 11.40 C ATOM 40 O PRO A 4 4.854 6.798 -8.544 1.00 73.21 O ATOM 41 CB PRO A 4 3.345 4.196 -10.012 1.00 2.43 C ATOM 42 CG PRO A 4 1.874 4.151 -10.240 1.00 13.54 C ATOM 43 CD PRO A 4 1.253 3.917 -8.890 1.00 74.34 C ATOM 44 HA PRO A 4 4.344 4.356 -8.116 1.00 2.00 H ATOM 45 HB2 PRO A 4 3.840 4.820 -10.743 1.00 23.20 H ATOM 46 HB3 PRO A 4 3.777 3.207 -10.023 1.00 34.22 H ATOM 47 HG2 PRO A 4 1.537 5.091 -10.649 1.00 54.42 H ATOM 48 HG3 PRO A 4 1.631 3.340 -10.910 1.00 20.14 H ATOM 49 HD2 PRO A 4 0.307 4.432 -8.816 1.00 15.14 H ATOM 50 HD3 PRO A 4 1.123 2.859 -8.713 1.00 44.13 H ATOM 51 N HIS A 5 2.669 7.054 -9.021 1.00 43.12 N ATOM 52 CA HIS A 5 2.756 8.504 -9.151 1.00 15.44 C ATOM 53 C HIS A 5 1.900 9.196 -8.094 1.00 14.02 C ATOM 54 O HIS A 5 0.952 8.623 -7.556 1.00 11.45 O ATOM 55 CB HIS A 5 2.313 8.940 -10.548 1.00 14.24 C ATOM 56 CG HIS A 5 1.087 8.231 -11.036 1.00 22.21 C ATOM 57 ND1 HIS A 5 -0.180 8.506 -10.566 1.00 5.41 N ATOM 58 CD2 HIS A 5 0.940 7.253 -11.960 1.00 34.43 C ATOM 59 CE1 HIS A 5 -1.053 7.727 -11.178 1.00 51.22 C ATOM 60 NE2 HIS A 5 -0.400 6.957 -12.029 1.00 43.14 N ATOM 61 H HIS A 5 1.805 6.613 -9.155 1.00 32.23 H ATOM 62 HA HIS A 5 3.786 8.790 -9.004 1.00 62.30 H ATOM 63 HB2 HIS A 5 2.100 9.999 -10.537 1.00 10.14 H ATOM 64 HB3 HIS A 5 3.111 8.745 -11.249 1.00 4.42 H ATOM 65 HD1 HIS A 5 -0.404 9.173 -9.884 1.00 34.31 H ATOM 66 HD2 HIS A 5 1.729 6.789 -12.536 1.00 15.15 H ATOM 67 HE1 HIS A 5 -2.120 7.721 -11.012 1.00 61.32 H ATOM 68 N PRO A 6 2.240 10.457 -7.788 1.00 20.20 N ATOM 69 CA PRO A 6 1.515 11.253 -6.793 1.00 44.32 C ATOM 70 C PRO A 6 0.119 11.641 -7.267 1.00 10.50 C ATOM 71 O PRO A 6 -0.079 11.984 -8.433 1.00 11.54 O ATOM 72 CB PRO A 6 2.390 12.499 -6.631 1.00 23.25 C ATOM 73 CG PRO A 6 3.132 12.612 -7.918 1.00 31.43 C ATOM 74 CD PRO A 6 3.358 11.202 -8.390 1.00 42.11 C ATOM 75 HA PRO A 6 1.443 10.736 -5.848 1.00 12.34 H ATOM 76 HB2 PRO A 6 1.763 13.362 -6.458 1.00 2.22 H ATOM 77 HB3 PRO A 6 3.064 12.364 -5.798 1.00 31.33 H ATOM 78 HG2 PRO A 6 2.540 13.157 -8.636 1.00 54.41 H ATOM 79 HG3 PRO A 6 4.077 13.108 -7.754 1.00 61.10 H ATOM 80 HD2 PRO A 6 3.317 11.154 -9.468 1.00 44.42 H ATOM 81 HD3 PRO A 6 4.306 10.831 -8.030 1.00 4.02 H ATOM 82 N VAL A 7 -0.847 11.586 -6.355 1.00 70.45 N ATOM 83 CA VAL A 7 -2.225 11.933 -6.680 1.00 53.00 C ATOM 84 C VAL A 7 -2.657 13.203 -5.956 1.00 11.05 C ATOM 85 O VAL A 7 -3.384 13.164 -4.963 1.00 13.42 O ATOM 86 CB VAL A 7 -3.193 10.792 -6.314 1.00 21.03 C ATOM 87 CG1 VAL A 7 -4.623 11.171 -6.665 1.00 14.20 C ATOM 88 CG2 VAL A 7 -2.787 9.504 -7.014 1.00 43.12 C ATOM 89 H VAL A 7 -0.627 11.305 -5.443 1.00 32.22 H ATOM 90 HA VAL A 7 -2.286 12.100 -7.746 1.00 24.23 H ATOM 91 HB VAL A 7 -3.139 10.630 -5.247 1.00 64.53 H ATOM 92 HG11 VAL A 7 -5.019 10.461 -7.376 1.00 53.23 H ATOM 93 HG12 VAL A 7 -5.229 11.162 -5.770 1.00 43.24 H ATOM 94 HG13 VAL A 7 -4.637 12.160 -7.099 1.00 50.13 H ATOM 95 HG21 VAL A 7 -2.093 8.959 -6.392 1.00 33.52 H ATOM 96 HG22 VAL A 7 -3.664 8.900 -7.192 1.00 42.12 H ATOM 97 HG23 VAL A 7 -2.315 9.740 -7.957 1.00 62.02 H ATOM 98 N PRO A 8 -2.200 14.358 -6.462 1.00 70.32 N ATOM 99 CA PRO A 8 -2.527 15.662 -5.879 1.00 52.55 C ATOM 100 C PRO A 8 -3.991 16.038 -6.085 1.00 3.44 C ATOM 101 O PRO A 8 -4.595 15.691 -7.098 1.00 43.05 O ATOM 102 CB PRO A 8 -1.615 16.629 -6.639 1.00 53.03 C ATOM 103 CG PRO A 8 -1.346 15.953 -7.939 1.00 62.11 C ATOM 104 CD PRO A 8 -1.329 14.479 -7.643 1.00 71.44 C ATOM 105 HA PRO A 8 -2.292 15.696 -4.826 1.00 13.43 H ATOM 106 HB2 PRO A 8 -2.125 17.572 -6.781 1.00 63.25 H ATOM 107 HB3 PRO A 8 -0.705 16.786 -6.080 1.00 73.11 H ATOM 108 HG2 PRO A 8 -2.130 16.185 -8.643 1.00 41.25 H ATOM 109 HG3 PRO A 8 -0.388 16.268 -8.325 1.00 5.23 H ATOM 110 HD2 PRO A 8 -1.731 13.922 -8.477 1.00 65.12 H ATOM 111 HD3 PRO A 8 -0.325 14.151 -7.417 1.00 33.44 H ATOM 112 N GLY A 9 -4.556 16.751 -5.115 1.00 4.43 N ATOM 113 CA GLY A 9 -5.944 17.163 -5.209 1.00 30.22 C ATOM 114 C GLY A 9 -6.905 16.049 -4.842 1.00 41.23 C ATOM 115 O GLY A 9 -7.674 16.173 -3.889 1.00 63.44 O ATOM 116 H GLY A 9 -4.025 17.000 -4.329 1.00 30.12 H ATOM 117 HA2 GLY A 9 -6.107 17.998 -4.544 1.00 25.11 H ATOM 118 HA3 GLY A 9 -6.146 17.478 -6.222 1.00 72.21 H ATOM 119 N MET A 10 -6.863 14.959 -5.602 1.00 5.43 N ATOM 120 CA MET A 10 -7.737 13.820 -5.351 1.00 70.54 C ATOM 121 C MET A 10 -7.239 13.003 -4.163 1.00 62.45 C ATOM 122 O MET A 10 -6.872 11.836 -4.310 1.00 2.24 O ATOM 123 CB MET A 10 -7.823 12.933 -6.595 1.00 60.31 C ATOM 124 CG MET A 10 -8.849 13.408 -7.611 1.00 44.41 C ATOM 125 SD MET A 10 -10.505 12.780 -7.273 1.00 5.22 S ATOM 126 CE MET A 10 -11.504 13.944 -8.197 1.00 43.32 C ATOM 127 H MET A 10 -6.228 14.920 -6.348 1.00 21.33 H ATOM 128 HA MET A 10 -8.721 14.201 -5.124 1.00 20.03 H ATOM 129 HB2 MET A 10 -6.856 12.911 -7.075 1.00 1.11 H ATOM 130 HB3 MET A 10 -8.088 11.931 -6.291 1.00 63.11 H ATOM 131 HG2 MET A 10 -8.879 14.488 -7.595 1.00 21.35 H ATOM 132 HG3 MET A 10 -8.545 13.074 -8.592 1.00 4.11 H ATOM 133 HE1 MET A 10 -11.965 13.438 -9.033 1.00 42.00 H ATOM 134 HE2 MET A 10 -12.271 14.350 -7.555 1.00 2.33 H ATOM 135 HE3 MET A 10 -10.878 14.745 -8.562 1.00 1.44 H ATOM 136 N HIS A 11 -7.228 13.622 -2.988 1.00 11.45 N ATOM 137 CA HIS A 11 -6.775 12.952 -1.774 1.00 62.21 C ATOM 138 C HIS A 11 -5.400 12.324 -1.982 1.00 22.14 C ATOM 139 O HIS A 11 -5.286 11.129 -2.256 1.00 50.23 O ATOM 140 CB HIS A 11 -7.780 11.879 -1.353 1.00 42.21 C ATOM 141 CG HIS A 11 -9.203 12.343 -1.393 1.00 53.35 C ATOM 142 ND1 HIS A 11 -9.706 13.305 -0.543 1.00 23.04 N ATOM 143 CD2 HIS A 11 -10.233 11.973 -2.191 1.00 2.44 C ATOM 144 CE1 HIS A 11 -10.983 13.505 -0.813 1.00 52.23 C ATOM 145 NE2 HIS A 11 -11.328 12.710 -1.810 1.00 25.31 N ATOM 146 H HIS A 11 -7.533 14.552 -2.935 1.00 5.13 H ATOM 147 HA HIS A 11 -6.704 13.693 -0.992 1.00 61.25 H ATOM 148 HB2 HIS A 11 -7.689 11.031 -2.015 1.00 72.32 H ATOM 149 HB3 HIS A 11 -7.561 11.566 -0.342 1.00 45.24 H ATOM 150 HD1 HIS A 11 -9.202 13.770 0.157 1.00 45.12 H ATOM 151 HD2 HIS A 11 -10.200 11.235 -2.980 1.00 13.40 H ATOM 152 HE1 HIS A 11 -11.635 14.201 -0.307 1.00 73.00 H ATOM 153 N LYS A 12 -4.357 13.137 -1.849 1.00 54.12 N ATOM 154 CA LYS A 12 -2.990 12.663 -2.021 1.00 65.44 C ATOM 155 C LYS A 12 -2.597 11.713 -0.894 1.00 70.01 C ATOM 156 O LYS A 12 -1.577 11.028 -0.973 1.00 30.43 O ATOM 157 CB LYS A 12 -2.019 13.845 -2.067 1.00 55.33 C ATOM 158 CG LYS A 12 -1.769 14.480 -0.710 1.00 73.31 C ATOM 159 CD LYS A 12 -1.620 15.988 -0.818 1.00 54.05 C ATOM 160 CE LYS A 12 -0.206 16.381 -1.217 1.00 12.20 C ATOM 161 NZ LYS A 12 0.371 17.393 -0.289 1.00 34.01 N ATOM 162 H LYS A 12 -4.512 14.080 -1.629 1.00 50.22 H ATOM 163 HA LYS A 12 -2.939 12.130 -2.959 1.00 23.32 H ATOM 164 HB2 LYS A 12 -1.074 13.505 -2.462 1.00 63.31 H ATOM 165 HB3 LYS A 12 -2.423 14.601 -2.726 1.00 13.25 H ATOM 166 HG2 LYS A 12 -2.602 14.257 -0.060 1.00 20.05 H ATOM 167 HG3 LYS A 12 -0.862 14.067 -0.292 1.00 35.45 H ATOM 168 HD2 LYS A 12 -2.308 16.356 -1.565 1.00 51.41 H ATOM 169 HD3 LYS A 12 -1.853 16.434 0.139 1.00 64.44 H ATOM 170 HE2 LYS A 12 0.415 15.499 -1.206 1.00 5.25 H ATOM 171 HE3 LYS A 12 -0.229 16.793 -2.215 1.00 60.54 H ATOM 172 HZ1 LYS A 12 -0.091 17.330 0.641 1.00 73.14 H ATOM 173 HZ2 LYS A 12 0.228 18.350 -0.671 1.00 22.11 H ATOM 174 HZ3 LYS A 12 1.390 17.228 -0.170 1.00 3.15 H ATOM 175 N CYS A 13 -3.414 11.676 0.154 1.00 45.34 N ATOM 176 CA CYS A 13 -3.153 10.810 1.297 1.00 42.11 C ATOM 177 C CYS A 13 -3.883 9.478 1.148 1.00 11.53 C ATOM 178 O CYS A 13 -4.341 8.896 2.131 1.00 25.44 O ATOM 179 CB CYS A 13 -3.584 11.499 2.594 1.00 64.54 C ATOM 180 SG CYS A 13 -2.458 12.822 3.142 1.00 54.10 S ATOM 181 H CYS A 13 -4.212 12.246 0.158 1.00 2.44 H ATOM 182 HA CYS A 13 -2.091 10.622 1.335 1.00 22.33 H ATOM 183 HB2 CYS A 13 -4.561 11.937 2.452 1.00 42.02 H ATOM 184 HB3 CYS A 13 -3.636 10.763 3.383 1.00 70.15 H ATOM 185 N VAL A 14 -3.988 9.002 -0.088 1.00 54.44 N ATOM 186 CA VAL A 14 -4.661 7.739 -0.367 1.00 14.33 C ATOM 187 C VAL A 14 -3.962 6.579 0.332 1.00 34.41 C ATOM 188 O VAL A 14 -4.611 5.713 0.921 1.00 65.22 O ATOM 189 CB VAL A 14 -4.718 7.455 -1.879 1.00 64.34 C ATOM 190 CG1 VAL A 14 -3.324 7.516 -2.487 1.00 13.14 C ATOM 191 CG2 VAL A 14 -5.364 6.103 -2.143 1.00 40.10 C ATOM 192 H VAL A 14 -3.604 9.513 -0.831 1.00 65.33 H ATOM 193 HA VAL A 14 -5.674 7.812 0.003 1.00 51.15 H ATOM 194 HB VAL A 14 -5.324 8.217 -2.346 1.00 45.24 H ATOM 195 HG11 VAL A 14 -2.696 8.153 -1.881 1.00 51.24 H ATOM 196 HG12 VAL A 14 -2.903 6.522 -2.523 1.00 1.12 H ATOM 197 HG13 VAL A 14 -3.385 7.918 -3.487 1.00 55.22 H ATOM 198 HG21 VAL A 14 -4.640 5.438 -2.590 1.00 51.53 H ATOM 199 HG22 VAL A 14 -5.712 5.683 -1.211 1.00 5.31 H ATOM 200 HG23 VAL A 14 -6.201 6.229 -2.815 1.00 64.42 H ATOM 201 N CYS A 15 -2.635 6.567 0.264 1.00 74.32 N ATOM 202 CA CYS A 15 -1.846 5.513 0.890 1.00 73.33 C ATOM 203 C CYS A 15 -1.886 5.634 2.410 1.00 21.33 C ATOM 204 O CYS A 15 -1.402 4.756 3.127 1.00 42.51 O ATOM 205 CB CYS A 15 -0.398 5.572 0.400 1.00 71.32 C ATOM 206 SG CYS A 15 0.605 4.124 0.867 1.00 15.43 S ATOM 207 H CYS A 15 -2.175 7.285 -0.220 1.00 63.12 H ATOM 208 HA CYS A 15 -2.275 4.564 0.605 1.00 21.22 H ATOM 209 HB2 CYS A 15 -0.393 5.639 -0.678 1.00 54.24 H ATOM 210 HB3 CYS A 15 0.078 6.449 0.812 1.00 12.11 H ATOM 211 N LEU A 16 -2.466 6.726 2.896 1.00 25.33 N ATOM 212 CA LEU A 16 -2.569 6.962 4.332 1.00 13.50 C ATOM 213 C LEU A 16 -3.739 7.889 4.648 1.00 31.10 C ATOM 214 O LEU A 16 -3.551 8.989 5.169 1.00 75.42 O ATOM 215 CB LEU A 16 -1.268 7.565 4.865 1.00 52.32 C ATOM 216 CG LEU A 16 -0.853 8.907 4.260 1.00 13.23 C ATOM 217 CD1 LEU A 16 -0.160 9.771 5.303 1.00 71.43 C ATOM 218 CD2 LEU A 16 0.051 8.693 3.056 1.00 64.53 C ATOM 219 H LEU A 16 -2.833 7.389 2.276 1.00 62.00 H ATOM 220 HA LEU A 16 -2.739 6.011 4.813 1.00 32.22 H ATOM 221 HB2 LEU A 16 -1.379 7.703 5.929 1.00 31.43 H ATOM 222 HB3 LEU A 16 -0.475 6.856 4.676 1.00 45.43 H ATOM 223 HG LEU A 16 -1.737 9.433 3.926 1.00 12.14 H ATOM 224 HD11 LEU A 16 0.627 9.203 5.775 1.00 63.34 H ATOM 225 HD12 LEU A 16 -0.877 10.080 6.048 1.00 14.14 H ATOM 226 HD13 LEU A 16 0.261 10.643 4.825 1.00 51.21 H ATOM 227 HD21 LEU A 16 -0.142 9.458 2.319 1.00 12.02 H ATOM 228 HD22 LEU A 16 -0.146 7.721 2.627 1.00 41.35 H ATOM 229 HD23 LEU A 16 1.085 8.745 3.368 1.00 74.13 H ATOM 230 N LYS A 17 -4.948 7.436 4.332 1.00 44.35 N ATOM 231 CA LYS A 17 -6.150 8.222 4.584 1.00 23.23 C ATOM 232 C LYS A 17 -6.131 8.807 5.993 1.00 73.40 C ATOM 233 O LYS A 17 -6.762 9.830 6.260 1.00 1.23 O ATOM 234 CB LYS A 17 -7.398 7.357 4.396 1.00 30.20 C ATOM 235 CG LYS A 17 -7.433 6.135 5.297 1.00 24.51 C ATOM 236 CD LYS A 17 -8.319 5.043 4.722 1.00 71.40 C ATOM 237 CE LYS A 17 -8.115 3.720 5.445 1.00 2.21 C ATOM 238 NZ LYS A 17 -8.355 2.555 4.549 1.00 4.21 N ATOM 239 H LYS A 17 -5.033 6.551 3.918 1.00 12.13 H ATOM 240 HA LYS A 17 -6.173 9.032 3.871 1.00 23.04 H ATOM 241 HB2 LYS A 17 -8.272 7.957 4.604 1.00 22.41 H ATOM 242 HB3 LYS A 17 -7.438 7.022 3.369 1.00 1.23 H ATOM 243 HG2 LYS A 17 -6.430 5.749 5.405 1.00 44.31 H ATOM 244 HG3 LYS A 17 -7.815 6.424 6.266 1.00 73.53 H ATOM 245 HD2 LYS A 17 -9.353 5.339 4.823 1.00 5.11 H ATOM 246 HD3 LYS A 17 -8.081 4.912 3.676 1.00 60.42 H ATOM 247 HE2 LYS A 17 -7.101 3.678 5.812 1.00 42.40 H ATOM 248 HE3 LYS A 17 -8.801 3.671 6.278 1.00 70.33 H ATOM 249 HZ1 LYS A 17 -7.525 2.394 3.943 1.00 32.50 H ATOM 250 HZ2 LYS A 17 -9.183 2.734 3.945 1.00 24.24 H ATOM 251 HZ3 LYS A 17 -8.530 1.700 5.114 1.00 0.11 H ATOM 252 N THR A 18 -5.403 8.151 6.892 1.00 51.13 N ATOM 253 CA THR A 18 -5.302 8.606 8.273 1.00 53.25 C ATOM 254 C THR A 18 -4.281 9.729 8.408 1.00 4.31 C ATOM 255 O THR A 18 -3.627 9.866 9.442 1.00 5.05 O ATOM 256 CB THR A 18 -4.910 7.454 9.217 1.00 70.15 C ATOM 257 OG1 THR A 18 -5.092 7.854 10.579 1.00 31.44 O ATOM 258 CG2 THR A 18 -3.463 7.040 8.993 1.00 34.00 C ATOM 259 H THR A 18 -4.923 7.342 6.618 1.00 74.31 H ATOM 260 HA THR A 18 -6.272 8.976 8.573 1.00 2.15 H ATOM 261 HB THR A 18 -5.548 6.606 9.010 1.00 43.34 H ATOM 262 HG1 THR A 18 -4.841 7.132 11.161 1.00 73.30 H ATOM 263 HG21 THR A 18 -3.401 5.963 8.943 1.00 52.41 H ATOM 264 HG22 THR A 18 -2.856 7.398 9.811 1.00 20.53 H ATOM 265 HG23 THR A 18 -3.106 7.465 8.067 1.00 74.02 H ATOM 266 N CYS A 19 -4.148 10.532 7.358 1.00 51.33 N ATOM 267 CA CYS A 19 -3.206 11.645 7.359 1.00 22.30 C ATOM 268 C CYS A 19 -3.363 12.489 8.620 1.00 11.41 C ATOM 269 O CYS A 19 -2.584 12.362 9.565 1.00 50.52 O ATOM 270 CB CYS A 19 -3.412 12.517 6.119 1.00 72.31 C ATOM 271 SG CYS A 19 -1.954 12.622 5.033 1.00 65.02 S ATOM 272 H CYS A 19 -4.698 10.373 6.561 1.00 23.31 H ATOM 273 HA CYS A 19 -2.208 11.234 7.338 1.00 42.43 H ATOM 274 HB2 CYS A 19 -4.227 12.112 5.535 1.00 4.25 H ATOM 275 HB3 CYS A 19 -3.663 13.520 6.431 1.00 35.51 H TER 276 CYS A 19 ENDMDL MODEL 10 ATOM 1 N ASP A 1 -1.965 0.985 0.253 1.00 32.23 N ATOM 2 CA ASP A 1 -0.929 1.012 -0.772 1.00 42.52 C ATOM 3 C ASP A 1 -0.815 2.401 -1.393 1.00 13.42 C ATOM 4 O ASP A 1 -1.796 3.142 -1.467 1.00 12.00 O ATOM 5 CB ASP A 1 -1.228 -0.022 -1.858 1.00 73.02 C ATOM 6 CG ASP A 1 -1.580 -1.380 -1.283 1.00 64.01 C ATOM 7 OD1 ASP A 1 -0.817 -1.878 -0.428 1.00 14.33 O ATOM 8 OD2 ASP A 1 -2.617 -1.945 -1.688 1.00 11.24 O ATOM 9 H1 ASP A 1 -1.732 1.224 1.175 1.00 14.30 H ATOM 10 HA ASP A 1 0.010 0.765 -0.301 1.00 65.33 H ATOM 11 HB2 ASP A 1 -2.061 0.322 -2.454 1.00 72.12 H ATOM 12 HB3 ASP A 1 -0.360 -0.132 -2.491 1.00 23.35 H ATOM 13 N CYS A 2 0.388 2.749 -1.837 1.00 1.05 N ATOM 14 CA CYS A 2 0.631 4.049 -2.449 1.00 44.34 C ATOM 15 C CYS A 2 0.499 3.969 -3.967 1.00 74.54 C ATOM 16 O CYS A 2 0.693 2.917 -4.578 1.00 20.15 O ATOM 17 CB CYS A 2 2.024 4.560 -2.075 1.00 10.43 C ATOM 18 SG CYS A 2 2.429 4.386 -0.307 1.00 65.13 S ATOM 19 H CYS A 2 1.132 2.115 -1.749 1.00 53.25 H ATOM 20 HA CYS A 2 -0.109 4.738 -2.072 1.00 2.02 H ATOM 21 HB2 CYS A 2 2.764 4.010 -2.637 1.00 23.43 H ATOM 22 HB3 CYS A 2 2.094 5.608 -2.327 1.00 4.11 H ATOM 23 N PRO A 3 0.160 5.106 -4.593 1.00 34.41 N ATOM 24 CA PRO A 3 -0.006 5.190 -6.047 1.00 11.11 C ATOM 25 C PRO A 3 1.319 5.062 -6.790 1.00 23.51 C ATOM 26 O PRO A 3 2.398 5.142 -6.202 1.00 62.32 O ATOM 27 CB PRO A 3 -0.603 6.584 -6.255 1.00 40.25 C ATOM 28 CG PRO A 3 -0.152 7.370 -5.073 1.00 11.11 C ATOM 29 CD PRO A 3 -0.088 6.396 -3.929 1.00 4.42 C ATOM 30 HA PRO A 3 -0.696 4.443 -6.412 1.00 1.13 H ATOM 31 HB2 PRO A 3 -0.227 7.005 -7.177 1.00 50.24 H ATOM 32 HB3 PRO A 3 -1.680 6.516 -6.297 1.00 4.31 H ATOM 33 HG2 PRO A 3 0.823 7.791 -5.262 1.00 44.42 H ATOM 34 HG3 PRO A 3 -0.865 8.152 -4.859 1.00 13.40 H ATOM 35 HD2 PRO A 3 0.724 6.649 -3.263 1.00 43.42 H ATOM 36 HD3 PRO A 3 -1.026 6.380 -3.394 1.00 4.54 H ATOM 37 N PRO A 4 1.240 4.858 -8.113 1.00 75.32 N ATOM 38 CA PRO A 4 2.424 4.715 -8.965 1.00 20.21 C ATOM 39 C PRO A 4 3.192 6.024 -9.114 1.00 22.41 C ATOM 40 O PRO A 4 4.414 6.024 -9.267 1.00 61.14 O ATOM 41 CB PRO A 4 1.842 4.280 -10.312 1.00 53.12 C ATOM 42 CG PRO A 4 0.448 4.806 -10.310 1.00 41.51 C ATOM 43 CD PRO A 4 -0.013 4.752 -8.880 1.00 32.51 C ATOM 44 HA PRO A 4 3.089 3.949 -8.594 1.00 61.42 H ATOM 45 HB2 PRO A 4 2.426 4.709 -11.115 1.00 33.34 H ATOM 46 HB3 PRO A 4 1.857 3.203 -10.384 1.00 54.02 H ATOM 47 HG2 PRO A 4 0.440 5.825 -10.668 1.00 75.30 H ATOM 48 HG3 PRO A 4 -0.180 4.184 -10.930 1.00 61.11 H ATOM 49 HD2 PRO A 4 -0.670 5.581 -8.663 1.00 4.10 H ATOM 50 HD3 PRO A 4 -0.509 3.813 -8.679 1.00 41.21 H ATOM 51 N HIS A 5 2.469 7.138 -9.067 1.00 73.34 N ATOM 52 CA HIS A 5 3.083 8.454 -9.196 1.00 42.32 C ATOM 53 C HIS A 5 2.832 9.295 -7.948 1.00 44.42 C ATOM 54 O HIS A 5 1.863 9.092 -7.218 1.00 15.14 O ATOM 55 CB HIS A 5 2.539 9.176 -10.430 1.00 21.15 C ATOM 56 CG HIS A 5 1.072 8.968 -10.647 1.00 31.34 C ATOM 57 ND1 HIS A 5 0.104 9.557 -9.861 1.00 52.12 N ATOM 58 CD2 HIS A 5 0.409 8.231 -11.569 1.00 1.13 C ATOM 59 CE1 HIS A 5 -1.091 9.191 -10.290 1.00 21.43 C ATOM 60 NE2 HIS A 5 -0.933 8.386 -11.325 1.00 54.24 N ATOM 61 H HIS A 5 1.499 7.073 -8.943 1.00 70.21 H ATOM 62 HA HIS A 5 4.147 8.314 -9.312 1.00 61.34 H ATOM 63 HB2 HIS A 5 2.711 10.237 -10.323 1.00 32.24 H ATOM 64 HB3 HIS A 5 3.059 8.818 -11.307 1.00 2.44 H ATOM 65 HD1 HIS A 5 0.268 10.154 -9.102 1.00 21.32 H ATOM 66 HD2 HIS A 5 0.853 7.632 -12.351 1.00 62.51 H ATOM 67 HE1 HIS A 5 -2.036 9.497 -9.866 1.00 62.43 H ATOM 68 N PRO A 6 3.727 10.263 -7.696 1.00 72.42 N ATOM 69 CA PRO A 6 3.624 11.153 -6.537 1.00 11.44 C ATOM 70 C PRO A 6 2.457 12.128 -6.656 1.00 42.01 C ATOM 71 O PRO A 6 2.131 12.840 -5.707 1.00 14.43 O ATOM 72 CB PRO A 6 4.955 11.909 -6.550 1.00 62.23 C ATOM 73 CG PRO A 6 5.397 11.872 -7.972 1.00 62.34 C ATOM 74 CD PRO A 6 4.907 10.562 -8.524 1.00 63.53 C ATOM 75 HA PRO A 6 3.533 10.597 -5.615 1.00 64.44 H ATOM 76 HB2 PRO A 6 4.800 12.923 -6.210 1.00 51.12 H ATOM 77 HB3 PRO A 6 5.662 11.411 -5.904 1.00 64.12 H ATOM 78 HG2 PRO A 6 4.958 12.695 -8.515 1.00 61.11 H ATOM 79 HG3 PRO A 6 6.475 11.919 -8.023 1.00 10.52 H ATOM 80 HD2 PRO A 6 4.632 10.669 -9.563 1.00 65.32 H ATOM 81 HD3 PRO A 6 5.662 9.797 -8.409 1.00 11.54 H ATOM 82 N VAL A 7 1.832 12.154 -7.829 1.00 14.33 N ATOM 83 CA VAL A 7 0.700 13.041 -8.072 1.00 33.43 C ATOM 84 C VAL A 7 -0.592 12.249 -8.240 1.00 70.34 C ATOM 85 O VAL A 7 -1.081 12.040 -9.351 1.00 23.41 O ATOM 86 CB VAL A 7 0.925 13.908 -9.325 1.00 33.25 C ATOM 87 CG1 VAL A 7 -0.271 14.816 -9.568 1.00 32.35 C ATOM 88 CG2 VAL A 7 2.203 14.721 -9.186 1.00 52.25 C ATOM 89 H VAL A 7 2.138 11.563 -8.547 1.00 62.23 H ATOM 90 HA VAL A 7 0.600 13.696 -7.219 1.00 10.31 H ATOM 91 HB VAL A 7 1.030 13.253 -10.177 1.00 22.32 H ATOM 92 HG11 VAL A 7 -0.996 14.675 -8.779 1.00 23.12 H ATOM 93 HG12 VAL A 7 0.055 15.846 -9.579 1.00 73.52 H ATOM 94 HG13 VAL A 7 -0.722 14.570 -10.518 1.00 34.34 H ATOM 95 HG21 VAL A 7 2.323 15.032 -8.159 1.00 61.05 H ATOM 96 HG22 VAL A 7 3.047 14.116 -9.481 1.00 42.25 H ATOM 97 HG23 VAL A 7 2.146 15.593 -9.822 1.00 15.31 H ATOM 98 N PRO A 8 -1.161 11.797 -7.113 1.00 24.23 N ATOM 99 CA PRO A 8 -2.405 11.021 -7.109 1.00 45.31 C ATOM 100 C PRO A 8 -3.614 11.864 -7.497 1.00 54.33 C ATOM 101 O PRO A 8 -3.473 13.004 -7.939 1.00 72.20 O ATOM 102 CB PRO A 8 -2.525 10.550 -5.658 1.00 4.24 C ATOM 103 CG PRO A 8 -1.761 11.557 -4.868 1.00 62.33 C ATOM 104 CD PRO A 8 -0.633 12.009 -5.754 1.00 71.33 C ATOM 105 HA PRO A 8 -2.340 10.164 -7.763 1.00 45.23 H ATOM 106 HB2 PRO A 8 -3.566 10.528 -5.369 1.00 30.12 H ATOM 107 HB3 PRO A 8 -2.097 9.564 -5.559 1.00 4.02 H ATOM 108 HG2 PRO A 8 -2.400 12.390 -4.620 1.00 2.32 H ATOM 109 HG3 PRO A 8 -1.371 11.100 -3.970 1.00 74.14 H ATOM 110 HD2 PRO A 8 -0.414 13.052 -5.584 1.00 14.51 H ATOM 111 HD3 PRO A 8 0.246 11.404 -5.584 1.00 51.52 H ATOM 112 N GLY A 9 -4.805 11.296 -7.329 1.00 3.11 N ATOM 113 CA GLY A 9 -6.022 12.010 -7.666 1.00 51.44 C ATOM 114 C GLY A 9 -6.381 13.063 -6.637 1.00 2.42 C ATOM 115 O GLY A 9 -5.529 13.847 -6.219 1.00 14.43 O ATOM 116 H GLY A 9 -4.857 10.384 -6.973 1.00 4.43 H ATOM 117 HA2 GLY A 9 -5.891 12.489 -8.625 1.00 55.14 H ATOM 118 HA3 GLY A 9 -6.834 11.301 -7.737 1.00 1.41 H ATOM 119 N MET A 10 -7.645 13.083 -6.228 1.00 74.33 N ATOM 120 CA MET A 10 -8.115 14.048 -5.241 1.00 44.34 C ATOM 121 C MET A 10 -7.399 13.855 -3.908 1.00 64.15 C ATOM 122 O MET A 10 -6.518 14.636 -3.547 1.00 24.44 O ATOM 123 CB MET A 10 -9.626 13.916 -5.046 1.00 11.14 C ATOM 124 CG MET A 10 -10.425 15.020 -5.720 1.00 30.25 C ATOM 125 SD MET A 10 -11.367 16.012 -4.545 1.00 22.11 S ATOM 126 CE MET A 10 -12.722 14.901 -4.174 1.00 0.25 C ATOM 127 H MET A 10 -8.278 12.432 -6.598 1.00 52.02 H ATOM 128 HA MET A 10 -7.894 15.037 -5.615 1.00 12.01 H ATOM 129 HB2 MET A 10 -9.948 12.969 -5.451 1.00 72.24 H ATOM 130 HB3 MET A 10 -9.844 13.939 -3.988 1.00 61.42 H ATOM 131 HG2 MET A 10 -9.743 15.668 -6.250 1.00 31.41 H ATOM 132 HG3 MET A 10 -11.111 14.570 -6.422 1.00 50.42 H ATOM 133 HE1 MET A 10 -12.705 14.070 -4.864 1.00 55.31 H ATOM 134 HE2 MET A 10 -12.619 14.532 -3.164 1.00 2.11 H ATOM 135 HE3 MET A 10 -13.658 15.431 -4.269 1.00 40.24 H ATOM 136 N HIS A 11 -7.782 12.810 -3.182 1.00 15.24 N ATOM 137 CA HIS A 11 -7.176 12.515 -1.888 1.00 74.42 C ATOM 138 C HIS A 11 -5.737 12.038 -2.059 1.00 72.40 C ATOM 139 O HIS A 11 -5.492 10.902 -2.467 1.00 54.24 O ATOM 140 CB HIS A 11 -7.993 11.454 -1.149 1.00 10.30 C ATOM 141 CG HIS A 11 -9.468 11.715 -1.165 1.00 3.42 C ATOM 142 ND1 HIS A 11 -10.025 12.908 -0.755 1.00 53.22 N ATOM 143 CD2 HIS A 11 -10.502 10.930 -1.546 1.00 21.40 C ATOM 144 CE1 HIS A 11 -11.339 12.844 -0.882 1.00 3.21 C ATOM 145 NE2 HIS A 11 -11.654 11.654 -1.360 1.00 64.04 N ATOM 146 H HIS A 11 -8.490 12.224 -3.523 1.00 44.53 H ATOM 147 HA HIS A 11 -7.174 13.424 -1.307 1.00 52.43 H ATOM 148 HB2 HIS A 11 -7.822 10.492 -1.609 1.00 51.31 H ATOM 149 HB3 HIS A 11 -7.673 11.417 -0.118 1.00 21.24 H ATOM 150 HD1 HIS A 11 -9.532 13.685 -0.420 1.00 1.12 H ATOM 151 HD2 HIS A 11 -10.435 9.920 -1.926 1.00 24.45 H ATOM 152 HE1 HIS A 11 -12.037 13.631 -0.637 1.00 23.40 H ATOM 153 N LYS A 12 -4.788 12.912 -1.745 1.00 1.44 N ATOM 154 CA LYS A 12 -3.373 12.582 -1.862 1.00 63.23 C ATOM 155 C LYS A 12 -2.922 11.699 -0.703 1.00 60.32 C ATOM 156 O LYS A 12 -1.832 11.127 -0.732 1.00 45.40 O ATOM 157 CB LYS A 12 -2.531 13.859 -1.901 1.00 41.24 C ATOM 158 CG LYS A 12 -3.024 14.882 -2.910 1.00 14.33 C ATOM 159 CD LYS A 12 -2.099 16.086 -2.982 1.00 33.52 C ATOM 160 CE LYS A 12 -2.849 17.382 -2.714 1.00 23.34 C ATOM 161 NZ LYS A 12 -2.642 17.864 -1.320 1.00 33.42 N ATOM 162 H LYS A 12 -5.046 13.803 -1.424 1.00 64.24 H ATOM 163 HA LYS A 12 -3.234 12.041 -2.786 1.00 50.02 H ATOM 164 HB2 LYS A 12 -2.544 14.315 -0.922 1.00 64.51 H ATOM 165 HB3 LYS A 12 -1.513 13.598 -2.154 1.00 73.21 H ATOM 166 HG2 LYS A 12 -3.072 14.420 -3.884 1.00 73.14 H ATOM 167 HG3 LYS A 12 -4.011 15.215 -2.618 1.00 63.21 H ATOM 168 HD2 LYS A 12 -1.320 15.974 -2.243 1.00 2.42 H ATOM 169 HD3 LYS A 12 -1.659 16.132 -3.968 1.00 31.41 H ATOM 170 HE2 LYS A 12 -2.496 18.135 -3.402 1.00 34.24 H ATOM 171 HE3 LYS A 12 -3.903 17.212 -2.875 1.00 11.24 H ATOM 172 HZ1 LYS A 12 -3.495 17.688 -0.751 1.00 23.32 H ATOM 173 HZ2 LYS A 12 -2.443 18.885 -1.321 1.00 33.51 H ATOM 174 HZ3 LYS A 12 -1.839 17.366 -0.885 1.00 53.10 H ATOM 175 N CYS A 13 -3.768 11.590 0.315 1.00 33.25 N ATOM 176 CA CYS A 13 -3.458 10.775 1.484 1.00 11.43 C ATOM 177 C CYS A 13 -4.039 9.372 1.339 1.00 33.11 C ATOM 178 O CYS A 13 -4.451 8.754 2.321 1.00 31.00 O ATOM 179 CB CYS A 13 -4.003 11.437 2.752 1.00 74.53 C ATOM 180 SG CYS A 13 -3.047 12.885 3.305 1.00 21.44 S ATOM 181 H CYS A 13 -4.623 12.069 0.281 1.00 52.53 H ATOM 182 HA CYS A 13 -2.384 10.701 1.561 1.00 32.33 H ATOM 183 HB2 CYS A 13 -5.017 11.763 2.570 1.00 11.34 H ATOM 184 HB3 CYS A 13 -4.002 10.714 3.554 1.00 1.25 H ATOM 185 N VAL A 14 -4.069 8.874 0.107 1.00 51.32 N ATOM 186 CA VAL A 14 -4.598 7.544 -0.168 1.00 31.43 C ATOM 187 C VAL A 14 -3.792 6.471 0.556 1.00 4.53 C ATOM 188 O VAL A 14 -4.354 5.547 1.145 1.00 42.42 O ATOM 189 CB VAL A 14 -4.597 7.240 -1.678 1.00 25.43 C ATOM 190 CG1 VAL A 14 -3.208 7.448 -2.263 1.00 53.52 C ATOM 191 CG2 VAL A 14 -5.085 5.822 -1.936 1.00 13.32 C ATOM 192 H VAL A 14 -3.726 9.415 -0.635 1.00 74.23 H ATOM 193 HA VAL A 14 -5.619 7.511 0.184 1.00 52.14 H ATOM 194 HB VAL A 14 -5.275 7.926 -2.163 1.00 63.22 H ATOM 195 HG11 VAL A 14 -3.296 7.834 -3.268 1.00 52.23 H ATOM 196 HG12 VAL A 14 -2.662 8.152 -1.653 1.00 2.34 H ATOM 197 HG13 VAL A 14 -2.682 6.506 -2.285 1.00 64.32 H ATOM 198 HG21 VAL A 14 -4.426 5.119 -1.449 1.00 43.45 H ATOM 199 HG22 VAL A 14 -6.085 5.710 -1.543 1.00 41.12 H ATOM 200 HG23 VAL A 14 -5.093 5.632 -2.999 1.00 70.34 H ATOM 201 N CYS A 15 -2.470 6.601 0.510 1.00 61.23 N ATOM 202 CA CYS A 15 -1.584 5.644 1.161 1.00 60.40 C ATOM 203 C CYS A 15 -1.659 5.779 2.679 1.00 23.11 C ATOM 204 O CYS A 15 -1.092 4.970 3.414 1.00 25.44 O ATOM 205 CB CYS A 15 -0.143 5.849 0.690 1.00 22.51 C ATOM 206 SG CYS A 15 0.925 4.389 0.908 1.00 4.13 S ATOM 207 H CYS A 15 -2.080 7.359 0.025 1.00 51.13 H ATOM 208 HA CYS A 15 -1.906 4.651 0.884 1.00 12.42 H ATOM 209 HB2 CYS A 15 -0.148 6.097 -0.361 1.00 63.34 H ATOM 210 HB3 CYS A 15 0.297 6.664 1.245 1.00 54.21 H ATOM 211 N LEU A 16 -2.362 6.806 3.142 1.00 51.42 N ATOM 212 CA LEU A 16 -2.512 7.049 4.573 1.00 71.44 C ATOM 213 C LEU A 16 -3.780 7.846 4.860 1.00 53.02 C ATOM 214 O LEU A 16 -3.721 8.965 5.370 1.00 51.12 O ATOM 215 CB LEU A 16 -1.292 7.796 5.114 1.00 53.10 C ATOM 216 CG LEU A 16 -1.017 9.168 4.497 1.00 74.11 C ATOM 217 CD1 LEU A 16 -0.435 10.114 5.536 1.00 60.43 C ATOM 218 CD2 LEU A 16 -0.079 9.038 3.306 1.00 55.45 C ATOM 219 H LEU A 16 -2.791 7.417 2.507 1.00 11.24 H ATOM 220 HA LEU A 16 -2.585 6.090 5.065 1.00 43.31 H ATOM 221 HB2 LEU A 16 -1.433 7.933 6.175 1.00 1.41 H ATOM 222 HB3 LEU A 16 -0.424 7.176 4.945 1.00 65.11 H ATOM 223 HG LEU A 16 -1.949 9.591 4.146 1.00 3.01 H ATOM 224 HD11 LEU A 16 -0.121 11.027 5.055 1.00 41.43 H ATOM 225 HD12 LEU A 16 0.415 9.646 6.011 1.00 13.54 H ATOM 226 HD13 LEU A 16 -1.186 10.337 6.280 1.00 44.02 H ATOM 227 HD21 LEU A 16 0.711 8.343 3.544 1.00 44.10 H ATOM 228 HD22 LEU A 16 0.346 10.004 3.077 1.00 44.22 H ATOM 229 HD23 LEU A 16 -0.632 8.677 2.450 1.00 0.11 H ATOM 230 N LYS A 17 -4.927 7.262 4.531 1.00 75.20 N ATOM 231 CA LYS A 17 -6.211 7.915 4.756 1.00 14.12 C ATOM 232 C LYS A 17 -6.279 8.514 6.157 1.00 3.04 C ATOM 233 O LYS A 17 -7.020 9.466 6.402 1.00 11.43 O ATOM 234 CB LYS A 17 -7.356 6.918 4.561 1.00 64.31 C ATOM 235 CG LYS A 17 -7.272 5.709 5.477 1.00 41.00 C ATOM 236 CD LYS A 17 -8.122 4.559 4.962 1.00 3.43 C ATOM 237 CE LYS A 17 -7.574 3.215 5.416 1.00 33.14 C ATOM 238 NZ LYS A 17 -6.326 2.850 4.691 1.00 52.45 N ATOM 239 H LYS A 17 -4.910 6.368 4.127 1.00 11.33 H ATOM 240 HA LYS A 17 -6.311 8.710 4.033 1.00 43.02 H ATOM 241 HB2 LYS A 17 -8.292 7.421 4.749 1.00 53.54 H ATOM 242 HB3 LYS A 17 -7.343 6.569 3.538 1.00 3.41 H ATOM 243 HG2 LYS A 17 -6.244 5.384 5.536 1.00 22.03 H ATOM 244 HG3 LYS A 17 -7.620 5.990 6.461 1.00 71.21 H ATOM 245 HD2 LYS A 17 -9.128 4.671 5.337 1.00 31.45 H ATOM 246 HD3 LYS A 17 -8.133 4.587 3.882 1.00 52.32 H ATOM 247 HE2 LYS A 17 -7.364 3.265 6.474 1.00 50.04 H ATOM 248 HE3 LYS A 17 -8.322 2.457 5.234 1.00 65.34 H ATOM 249 HZ1 LYS A 17 -6.503 2.045 4.057 1.00 31.00 H ATOM 250 HZ2 LYS A 17 -5.583 2.588 5.369 1.00 64.32 H ATOM 251 HZ3 LYS A 17 -5.994 3.657 4.124 1.00 23.33 H ATOM 252 N THR A 18 -5.499 7.951 7.075 1.00 23.01 N ATOM 253 CA THR A 18 -5.470 8.430 8.451 1.00 24.53 C ATOM 254 C THR A 18 -4.578 9.659 8.587 1.00 32.54 C ATOM 255 O THR A 18 -3.958 9.876 9.629 1.00 42.14 O ATOM 256 CB THR A 18 -4.969 7.337 9.415 1.00 14.34 C ATOM 257 OG1 THR A 18 -5.214 7.730 10.770 1.00 14.24 O ATOM 258 CG2 THR A 18 -3.483 7.080 9.217 1.00 32.05 C ATOM 259 H THR A 18 -4.930 7.195 6.819 1.00 52.12 H ATOM 260 HA THR A 18 -6.478 8.695 8.734 1.00 51.05 H ATOM 261 HB THR A 18 -5.508 6.423 9.211 1.00 54.34 H ATOM 262 HG1 THR A 18 -4.772 8.564 10.947 1.00 55.53 H ATOM 263 HG21 THR A 18 -3.163 7.522 8.286 1.00 21.11 H ATOM 264 HG22 THR A 18 -3.302 6.016 9.191 1.00 34.45 H ATOM 265 HG23 THR A 18 -2.930 7.520 10.034 1.00 60.41 H ATOM 266 N CYS A 19 -4.519 10.461 7.530 1.00 63.44 N ATOM 267 CA CYS A 19 -3.703 11.669 7.530 1.00 12.05 C ATOM 268 C CYS A 19 -3.969 12.504 8.780 1.00 53.03 C ATOM 269 O CYS A 19 -3.286 13.497 9.032 1.00 60.53 O ATOM 270 CB CYS A 19 -3.986 12.501 6.278 1.00 64.11 C ATOM 271 SG CYS A 19 -2.535 12.740 5.202 1.00 55.04 S ATOM 272 H CYS A 19 -5.036 10.234 6.728 1.00 53.13 H ATOM 273 HA CYS A 19 -2.666 11.370 7.527 1.00 72.31 H ATOM 274 HB2 CYS A 19 -4.750 12.009 5.694 1.00 41.54 H ATOM 275 HB3 CYS A 19 -4.339 13.477 6.576 1.00 74.15 H TER 276 CYS A 19 ENDMDL MODEL 11 ATOM 1 N ASP A 1 -0.238 1.266 0.721 1.00 43.11 N ATOM 2 CA ASP A 1 -0.525 1.234 -0.708 1.00 42.15 C ATOM 3 C ASP A 1 -0.474 2.638 -1.304 1.00 75.54 C ATOM 4 O ASP A 1 -1.444 3.393 -1.224 1.00 5.05 O ATOM 5 CB ASP A 1 -1.897 0.608 -0.961 1.00 14.32 C ATOM 6 CG ASP A 1 -2.917 1.007 0.088 1.00 70.11 C ATOM 7 OD1 ASP A 1 -3.576 2.052 -0.092 1.00 54.34 O ATOM 8 OD2 ASP A 1 -3.056 0.273 1.088 1.00 13.14 O ATOM 9 H1 ASP A 1 0.378 1.945 1.070 1.00 33.30 H ATOM 10 HA ASP A 1 0.230 0.627 -1.185 1.00 3.31 H ATOM 11 HB2 ASP A 1 -2.259 0.928 -1.927 1.00 73.34 H ATOM 12 HB3 ASP A 1 -1.802 -0.467 -0.954 1.00 61.52 H ATOM 13 N CYS A 2 0.662 2.981 -1.902 1.00 74.40 N ATOM 14 CA CYS A 2 0.840 4.293 -2.510 1.00 41.44 C ATOM 15 C CYS A 2 0.694 4.214 -4.027 1.00 50.33 C ATOM 16 O CYS A 2 0.928 3.175 -4.645 1.00 41.42 O ATOM 17 CB CYS A 2 2.213 4.864 -2.148 1.00 53.14 C ATOM 18 SG CYS A 2 2.646 4.697 -0.387 1.00 2.31 S ATOM 19 H CYS A 2 1.399 2.335 -1.935 1.00 22.24 H ATOM 20 HA CYS A 2 0.074 4.947 -2.121 1.00 62.31 H ATOM 21 HB2 CYS A 2 2.970 4.351 -2.722 1.00 63.43 H ATOM 22 HB3 CYS A 2 2.233 5.915 -2.394 1.00 42.54 H ATOM 23 N PRO A 3 0.298 5.338 -4.643 1.00 12.21 N ATOM 24 CA PRO A 3 0.112 5.422 -6.095 1.00 2.54 C ATOM 25 C PRO A 3 1.434 5.357 -6.853 1.00 34.43 C ATOM 26 O PRO A 3 2.514 5.482 -6.276 1.00 65.55 O ATOM 27 CB PRO A 3 -0.548 6.790 -6.289 1.00 73.40 C ATOM 28 CG PRO A 3 -0.120 7.589 -5.107 1.00 65.12 C ATOM 29 CD PRO A 3 0.001 6.614 -3.969 1.00 70.52 C ATOM 30 HA PRO A 3 -0.548 4.647 -6.456 1.00 3.32 H ATOM 31 HB2 PRO A 3 -0.202 7.231 -7.213 1.00 2.43 H ATOM 32 HB3 PRO A 3 -1.621 6.674 -6.319 1.00 12.10 H ATOM 33 HG2 PRO A 3 0.834 8.054 -5.305 1.00 1.21 H ATOM 34 HG3 PRO A 3 -0.864 8.338 -4.881 1.00 73.32 H ATOM 35 HD2 PRO A 3 0.808 6.899 -3.311 1.00 43.12 H ATOM 36 HD3 PRO A 3 -0.929 6.553 -3.424 1.00 14.22 H ATOM 37 N PRO A 4 1.348 5.156 -8.176 1.00 42.22 N ATOM 38 CA PRO A 4 2.528 5.070 -9.042 1.00 2.44 C ATOM 39 C PRO A 4 3.236 6.413 -9.192 1.00 31.33 C ATOM 40 O PRO A 4 4.456 6.468 -9.350 1.00 11.53 O ATOM 41 CB PRO A 4 1.951 4.617 -10.385 1.00 13.31 C ATOM 42 CG PRO A 4 0.535 5.081 -10.365 1.00 2.35 C ATOM 43 CD PRO A 4 0.093 4.999 -8.930 1.00 31.43 C ATOM 44 HA PRO A 4 3.231 4.333 -8.683 1.00 33.54 H ATOM 45 HB2 PRO A 4 2.506 5.075 -11.191 1.00 41.52 H ATOM 46 HB3 PRO A 4 2.012 3.542 -10.463 1.00 44.32 H ATOM 47 HG2 PRO A 4 0.478 6.100 -10.717 1.00 34.04 H ATOM 48 HG3 PRO A 4 -0.072 4.435 -10.981 1.00 65.22 H ATOM 49 HD2 PRO A 4 -0.597 5.797 -8.701 1.00 12.11 H ATOM 50 HD3 PRO A 4 -0.359 4.038 -8.729 1.00 5.22 H ATOM 51 N HIS A 5 2.463 7.493 -9.141 1.00 0.03 N ATOM 52 CA HIS A 5 3.017 8.836 -9.270 1.00 0.10 C ATOM 53 C HIS A 5 2.739 9.661 -8.017 1.00 51.42 C ATOM 54 O HIS A 5 1.785 9.412 -7.279 1.00 44.34 O ATOM 55 CB HIS A 5 2.431 9.536 -10.497 1.00 3.45 C ATOM 56 CG HIS A 5 0.973 9.263 -10.703 1.00 3.11 C ATOM 57 ND1 HIS A 5 -0.014 9.806 -9.908 1.00 70.10 N ATOM 58 CD2 HIS A 5 0.337 8.500 -11.622 1.00 40.34 C ATOM 59 CE1 HIS A 5 -1.194 9.387 -10.328 1.00 54.44 C ATOM 60 NE2 HIS A 5 -1.009 8.594 -11.368 1.00 52.11 N ATOM 61 H HIS A 5 1.498 7.384 -9.013 1.00 12.32 H ATOM 62 HA HIS A 5 4.085 8.744 -9.395 1.00 62.40 H ATOM 63 HB2 HIS A 5 2.556 10.604 -10.387 1.00 61.43 H ATOM 64 HB3 HIS A 5 2.960 9.205 -11.379 1.00 0.41 H ATOM 65 HD1 HIS A 5 0.129 10.407 -9.148 1.00 23.12 H ATOM 66 HD2 HIS A 5 0.801 7.924 -12.410 1.00 64.23 H ATOM 67 HE1 HIS A 5 -2.149 9.649 -9.897 1.00 3.33 H ATOM 68 N PRO A 6 3.591 10.667 -7.769 1.00 52.44 N ATOM 69 CA PRO A 6 3.457 11.549 -6.606 1.00 43.31 C ATOM 70 C PRO A 6 2.247 12.470 -6.713 1.00 12.42 C ATOM 71 O PRO A 6 1.896 13.164 -5.758 1.00 40.33 O ATOM 72 CB PRO A 6 4.753 12.364 -6.628 1.00 51.22 C ATOM 73 CG PRO A 6 5.184 12.351 -8.054 1.00 43.21 C ATOM 74 CD PRO A 6 4.750 11.022 -8.606 1.00 75.22 C ATOM 75 HA PRO A 6 3.400 10.986 -5.686 1.00 12.30 H ATOM 76 HB2 PRO A 6 4.555 13.369 -6.284 1.00 12.44 H ATOM 77 HB3 PRO A 6 5.487 11.897 -5.990 1.00 23.14 H ATOM 78 HG2 PRO A 6 4.704 13.155 -8.590 1.00 51.24 H ATOM 79 HG3 PRO A 6 6.258 12.448 -8.113 1.00 64.21 H ATOM 80 HD2 PRO A 6 4.461 11.119 -9.642 1.00 45.54 H ATOM 81 HD3 PRO A 6 5.539 10.292 -8.499 1.00 51.42 H ATOM 82 N VAL A 7 1.611 12.472 -7.880 1.00 42.12 N ATOM 83 CA VAL A 7 0.438 13.307 -8.111 1.00 44.00 C ATOM 84 C VAL A 7 -0.817 12.458 -8.273 1.00 35.03 C ATOM 85 O VAL A 7 -1.305 12.231 -9.380 1.00 52.21 O ATOM 86 CB VAL A 7 0.614 14.188 -9.362 1.00 71.23 C ATOM 87 CG1 VAL A 7 -0.624 15.041 -9.593 1.00 2.55 C ATOM 88 CG2 VAL A 7 1.855 15.058 -9.231 1.00 71.21 C ATOM 89 H VAL A 7 1.938 11.897 -8.603 1.00 44.44 H ATOM 90 HA VAL A 7 0.316 13.955 -7.255 1.00 32.40 H ATOM 91 HB VAL A 7 0.742 13.541 -10.218 1.00 2.11 H ATOM 92 HG11 VAL A 7 -1.349 14.840 -8.817 1.00 44.43 H ATOM 93 HG12 VAL A 7 -0.350 16.086 -9.569 1.00 54.25 H ATOM 94 HG13 VAL A 7 -1.052 14.802 -10.555 1.00 2.20 H ATOM 95 HG21 VAL A 7 2.694 14.560 -9.693 1.00 44.43 H ATOM 96 HG22 VAL A 7 1.683 16.005 -9.720 1.00 71.03 H ATOM 97 HG23 VAL A 7 2.068 15.227 -8.185 1.00 60.53 H ATOM 98 N PRO A 8 -1.356 11.977 -7.142 1.00 63.54 N ATOM 99 CA PRO A 8 -2.563 11.145 -7.132 1.00 51.30 C ATOM 100 C PRO A 8 -3.813 11.934 -7.507 1.00 51.11 C ATOM 101 O PRO A 8 -3.727 13.081 -7.944 1.00 34.10 O ATOM 102 CB PRO A 8 -2.650 10.664 -5.682 1.00 21.24 C ATOM 103 CG PRO A 8 -1.926 11.701 -4.894 1.00 71.03 C ATOM 104 CD PRO A 8 -0.827 12.207 -5.787 1.00 53.04 C ATOM 105 HA PRO A 8 -2.465 10.295 -7.790 1.00 63.53 H ATOM 106 HB2 PRO A 8 -3.687 10.593 -5.385 1.00 2.24 H ATOM 107 HB3 PRO A 8 -2.177 9.698 -5.590 1.00 62.33 H ATOM 108 HG2 PRO A 8 -2.600 12.504 -4.637 1.00 72.23 H ATOM 109 HG3 PRO A 8 -1.509 11.259 -4.001 1.00 71.15 H ATOM 110 HD2 PRO A 8 -0.655 13.259 -5.614 1.00 62.05 H ATOM 111 HD3 PRO A 8 0.080 11.643 -5.627 1.00 35.42 H ATOM 112 N GLY A 9 -4.975 11.311 -7.333 1.00 41.30 N ATOM 113 CA GLY A 9 -6.226 11.971 -7.658 1.00 31.20 C ATOM 114 C GLY A 9 -6.646 12.972 -6.600 1.00 22.32 C ATOM 115 O GLY A 9 -5.837 13.781 -6.146 1.00 54.14 O ATOM 116 H GLY A 9 -4.982 10.396 -6.981 1.00 54.51 H ATOM 117 HA2 GLY A 9 -6.115 12.485 -8.601 1.00 72.31 H ATOM 118 HA3 GLY A 9 -6.999 11.223 -7.756 1.00 32.31 H ATOM 119 N MET A 10 -7.914 12.918 -6.207 1.00 32.14 N ATOM 120 CA MET A 10 -8.440 13.828 -5.195 1.00 64.32 C ATOM 121 C MET A 10 -7.717 13.638 -3.865 1.00 71.13 C ATOM 122 O MET A 10 -6.883 14.457 -3.478 1.00 64.34 O ATOM 123 CB MET A 10 -9.942 13.605 -5.009 1.00 43.12 C ATOM 124 CG MET A 10 -10.793 14.293 -6.064 1.00 12.21 C ATOM 125 SD MET A 10 -11.708 15.701 -5.407 1.00 52.45 S ATOM 126 CE MET A 10 -13.373 15.040 -5.379 1.00 5.01 C ATOM 127 H MET A 10 -8.511 12.250 -6.605 1.00 12.32 H ATOM 128 HA MET A 10 -8.274 14.837 -5.540 1.00 55.34 H ATOM 129 HB2 MET A 10 -10.144 12.545 -5.049 1.00 53.32 H ATOM 130 HB3 MET A 10 -10.233 13.983 -4.040 1.00 42.15 H ATOM 131 HG2 MET A 10 -10.149 14.640 -6.858 1.00 60.00 H ATOM 132 HG3 MET A 10 -11.497 13.577 -6.461 1.00 71.02 H ATOM 133 HE1 MET A 10 -13.393 14.143 -4.776 1.00 41.35 H ATOM 134 HE2 MET A 10 -14.044 15.773 -4.956 1.00 70.24 H ATOM 135 HE3 MET A 10 -13.683 14.805 -6.386 1.00 34.10 H ATOM 136 N HIS A 11 -8.043 12.553 -3.169 1.00 51.41 N ATOM 137 CA HIS A 11 -7.424 12.257 -1.882 1.00 75.50 C ATOM 138 C HIS A 11 -5.962 11.861 -2.061 1.00 21.43 C ATOM 139 O HIS A 11 -5.656 10.732 -2.447 1.00 43.42 O ATOM 140 CB HIS A 11 -8.185 11.136 -1.173 1.00 74.20 C ATOM 141 CG HIS A 11 -9.672 11.320 -1.186 1.00 23.40 C ATOM 142 ND1 HIS A 11 -10.317 12.288 -0.446 1.00 22.11 N ATOM 143 CD2 HIS A 11 -10.640 10.653 -1.857 1.00 14.14 C ATOM 144 CE1 HIS A 11 -11.618 12.208 -0.659 1.00 70.04 C ATOM 145 NE2 HIS A 11 -11.841 11.224 -1.512 1.00 42.21 N ATOM 146 H HIS A 11 -8.715 11.938 -3.530 1.00 11.42 H ATOM 147 HA HIS A 11 -7.471 13.150 -1.278 1.00 32.32 H ATOM 148 HB2 HIS A 11 -7.964 10.196 -1.658 1.00 4.52 H ATOM 149 HB3 HIS A 11 -7.865 11.088 -0.142 1.00 71.01 H ATOM 150 HD1 HIS A 11 -9.885 12.936 0.148 1.00 32.15 H ATOM 151 HD2 HIS A 11 -10.497 9.825 -2.537 1.00 3.04 H ATOM 152 HE1 HIS A 11 -12.372 12.839 -0.214 1.00 1.44 H ATOM 153 N LYS A 12 -5.062 12.796 -1.778 1.00 1.23 N ATOM 154 CA LYS A 12 -3.631 12.546 -1.906 1.00 52.12 C ATOM 155 C LYS A 12 -3.122 11.692 -0.749 1.00 50.33 C ATOM 156 O LYS A 12 -2.000 11.186 -0.785 1.00 31.12 O ATOM 157 CB LYS A 12 -2.864 13.869 -1.954 1.00 4.10 C ATOM 158 CG LYS A 12 -1.434 13.725 -2.447 1.00 11.52 C ATOM 159 CD LYS A 12 -0.477 14.589 -1.642 1.00 53.21 C ATOM 160 CE LYS A 12 0.820 14.835 -2.396 1.00 43.15 C ATOM 161 NZ LYS A 12 0.741 16.049 -3.255 1.00 4.42 N ATOM 162 H LYS A 12 -5.368 13.677 -1.474 1.00 23.03 H ATOM 163 HA LYS A 12 -3.469 12.012 -2.830 1.00 54.23 H ATOM 164 HB2 LYS A 12 -3.383 14.549 -2.613 1.00 1.31 H ATOM 165 HB3 LYS A 12 -2.839 14.293 -0.960 1.00 64.03 H ATOM 166 HG2 LYS A 12 -1.133 12.692 -2.355 1.00 52.50 H ATOM 167 HG3 LYS A 12 -1.389 14.025 -3.484 1.00 60.34 H ATOM 168 HD2 LYS A 12 -0.948 15.540 -1.439 1.00 61.30 H ATOM 169 HD3 LYS A 12 -0.253 14.090 -0.710 1.00 2.10 H ATOM 170 HE2 LYS A 12 1.619 14.962 -1.681 1.00 73.54 H ATOM 171 HE3 LYS A 12 1.027 13.977 -3.019 1.00 44.21 H ATOM 172 HZ1 LYS A 12 -0.059 16.644 -2.960 1.00 52.03 H ATOM 173 HZ2 LYS A 12 0.609 15.775 -4.249 1.00 51.55 H ATOM 174 HZ3 LYS A 12 1.618 16.602 -3.173 1.00 44.14 H ATOM 175 N CYS A 13 -3.954 11.535 0.275 1.00 42.20 N ATOM 176 CA CYS A 13 -3.589 10.742 1.442 1.00 21.23 C ATOM 177 C CYS A 13 -4.089 9.307 1.303 1.00 60.13 C ATOM 178 O CYS A 13 -4.455 8.667 2.288 1.00 33.25 O ATOM 179 CB CYS A 13 -4.163 11.372 2.713 1.00 45.10 C ATOM 180 SG CYS A 13 -3.288 12.874 3.258 1.00 3.11 S ATOM 181 H CYS A 13 -4.836 11.964 0.245 1.00 24.14 H ATOM 182 HA CYS A 13 -2.512 10.729 1.512 1.00 41.42 H ATOM 183 HB2 CYS A 13 -5.195 11.639 2.539 1.00 42.24 H ATOM 184 HB3 CYS A 13 -4.113 10.652 3.517 1.00 53.35 H ATOM 185 N VAL A 14 -4.101 8.807 0.071 1.00 40.41 N ATOM 186 CA VAL A 14 -4.554 7.448 -0.199 1.00 14.14 C ATOM 187 C VAL A 14 -3.680 6.425 0.518 1.00 13.10 C ATOM 188 O VAL A 14 -4.182 5.470 1.112 1.00 54.24 O ATOM 189 CB VAL A 14 -4.549 7.144 -1.708 1.00 72.34 C ATOM 190 CG1 VAL A 14 -3.181 7.432 -2.307 1.00 23.13 C ATOM 191 CG2 VAL A 14 -4.958 5.700 -1.962 1.00 2.51 C ATOM 192 H VAL A 14 -3.797 9.366 -0.674 1.00 41.34 H ATOM 193 HA VAL A 14 -5.569 7.357 0.162 1.00 24.43 H ATOM 194 HB VAL A 14 -5.270 7.789 -2.188 1.00 12.42 H ATOM 195 HG11 VAL A 14 -2.600 6.521 -2.331 1.00 40.40 H ATOM 196 HG12 VAL A 14 -3.299 7.812 -3.311 1.00 32.11 H ATOM 197 HG13 VAL A 14 -2.671 8.167 -1.701 1.00 61.21 H ATOM 198 HG21 VAL A 14 -5.243 5.238 -1.029 1.00 72.51 H ATOM 199 HG22 VAL A 14 -5.793 5.679 -2.646 1.00 31.52 H ATOM 200 HG23 VAL A 14 -4.126 5.161 -2.392 1.00 35.41 H ATOM 201 N CYS A 15 -2.369 6.631 0.459 1.00 22.03 N ATOM 202 CA CYS A 15 -1.423 5.727 1.102 1.00 2.35 C ATOM 203 C CYS A 15 -1.492 5.859 2.621 1.00 24.43 C ATOM 204 O CYS A 15 -0.872 5.084 3.351 1.00 21.13 O ATOM 205 CB CYS A 15 0.000 6.016 0.619 1.00 73.44 C ATOM 206 SG CYS A 15 1.158 4.628 0.846 1.00 50.11 S ATOM 207 H CYS A 15 -2.028 7.410 -0.029 1.00 52.52 H ATOM 208 HA CYS A 15 -1.689 4.718 0.828 1.00 32.15 H ATOM 209 HB2 CYS A 15 -0.028 6.250 -0.436 1.00 4.23 H ATOM 210 HB3 CYS A 15 0.391 6.864 1.161 1.00 62.44 H ATOM 211 N LEU A 16 -2.249 6.844 3.090 1.00 32.24 N ATOM 212 CA LEU A 16 -2.400 7.077 4.522 1.00 12.45 C ATOM 213 C LEU A 16 -3.710 7.800 4.821 1.00 21.12 C ATOM 214 O LEU A 16 -3.711 8.921 5.331 1.00 72.24 O ATOM 215 CB LEU A 16 -1.221 7.895 5.053 1.00 70.21 C ATOM 216 CG LEU A 16 -1.032 9.280 4.434 1.00 51.11 C ATOM 217 CD1 LEU A 16 -0.499 10.259 5.469 1.00 53.04 C ATOM 218 CD2 LEU A 16 -0.097 9.206 3.236 1.00 64.11 C ATOM 219 H LEU A 16 -2.719 7.428 2.460 1.00 44.41 H ATOM 220 HA LEU A 16 -2.412 6.117 5.015 1.00 35.33 H ATOM 221 HB2 LEU A 16 -1.360 8.024 6.115 1.00 24.23 H ATOM 222 HB3 LEU A 16 -0.319 7.326 4.876 1.00 52.14 H ATOM 223 HG LEU A 16 -1.989 9.647 4.090 1.00 52.33 H ATOM 224 HD11 LEU A 16 -0.221 11.182 4.982 1.00 75.52 H ATOM 225 HD12 LEU A 16 0.366 9.833 5.955 1.00 41.44 H ATOM 226 HD13 LEU A 16 -1.265 10.456 6.205 1.00 4.11 H ATOM 227 HD21 LEU A 16 0.926 9.284 3.573 1.00 63.53 H ATOM 228 HD22 LEU A 16 -0.316 10.018 2.558 1.00 24.30 H ATOM 229 HD23 LEU A 16 -0.238 8.264 2.726 1.00 34.45 H ATOM 230 N LYS A 17 -4.824 7.150 4.503 1.00 71.20 N ATOM 231 CA LYS A 17 -6.142 7.727 4.740 1.00 43.41 C ATOM 232 C LYS A 17 -6.231 8.323 6.141 1.00 22.25 C ATOM 233 O LYS A 17 -7.024 9.231 6.393 1.00 61.22 O ATOM 234 CB LYS A 17 -7.228 6.665 4.556 1.00 63.03 C ATOM 235 CG LYS A 17 -7.065 5.464 5.471 1.00 31.03 C ATOM 236 CD LYS A 17 -7.833 4.259 4.953 1.00 44.54 C ATOM 237 CE LYS A 17 -8.355 3.399 6.092 1.00 33.45 C ATOM 238 NZ LYS A 17 -9.827 3.546 6.269 1.00 4.23 N ATOM 239 H LYS A 17 -4.759 6.259 4.099 1.00 25.53 H ATOM 240 HA LYS A 17 -6.294 8.515 4.017 1.00 22.41 H ATOM 241 HB2 LYS A 17 -8.190 7.113 4.752 1.00 13.51 H ATOM 242 HB3 LYS A 17 -7.204 6.317 3.533 1.00 52.11 H ATOM 243 HG2 LYS A 17 -6.017 5.210 5.534 1.00 35.32 H ATOM 244 HG3 LYS A 17 -7.435 5.719 6.454 1.00 12.41 H ATOM 245 HD2 LYS A 17 -8.670 4.603 4.363 1.00 3.12 H ATOM 246 HD3 LYS A 17 -7.176 3.664 4.335 1.00 65.40 H ATOM 247 HE2 LYS A 17 -8.129 2.365 5.879 1.00 40.31 H ATOM 248 HE3 LYS A 17 -7.860 3.694 7.006 1.00 40.34 H ATOM 249 HZ1 LYS A 17 -10.293 2.621 6.174 1.00 3.52 H ATOM 250 HZ2 LYS A 17 -10.210 4.192 5.549 1.00 23.52 H ATOM 251 HZ3 LYS A 17 -10.036 3.933 7.211 1.00 32.15 H ATOM 252 N THR A 18 -5.411 7.807 7.052 1.00 20.21 N ATOM 253 CA THR A 18 -5.397 8.287 8.428 1.00 51.52 C ATOM 254 C THR A 18 -4.578 9.567 8.555 1.00 25.51 C ATOM 255 O THR A 18 -3.961 9.821 9.590 1.00 30.33 O ATOM 256 CB THR A 18 -4.825 7.227 9.388 1.00 51.23 C ATOM 257 OG1 THR A 18 -5.080 7.607 10.745 1.00 61.53 O ATOM 258 CG2 THR A 18 -3.328 7.057 9.176 1.00 74.31 C ATOM 259 H THR A 18 -4.802 7.085 6.791 1.00 60.11 H ATOM 260 HA THR A 18 -6.417 8.494 8.719 1.00 3.13 H ATOM 261 HB THR A 18 -5.312 6.283 9.188 1.00 1.12 H ATOM 262 HG1 THR A 18 -5.258 6.822 11.268 1.00 35.44 H ATOM 263 HG21 THR A 18 -3.043 7.518 8.243 1.00 45.32 H ATOM 264 HG22 THR A 18 -3.087 6.005 9.145 1.00 24.55 H ATOM 265 HG23 THR A 18 -2.794 7.526 9.989 1.00 72.24 H ATOM 266 N CYS A 19 -4.575 10.370 7.497 1.00 60.24 N ATOM 267 CA CYS A 19 -3.831 11.624 7.489 1.00 33.34 C ATOM 268 C CYS A 19 -4.134 12.443 8.741 1.00 62.21 C ATOM 269 O CYS A 19 -3.822 13.632 8.807 1.00 64.25 O ATOM 270 CB CYS A 19 -4.174 12.437 6.239 1.00 23.24 C ATOM 271 SG CYS A 19 -2.750 12.759 5.149 1.00 12.43 S ATOM 272 H CYS A 19 -5.086 10.113 6.700 1.00 70.13 H ATOM 273 HA CYS A 19 -2.779 11.385 7.476 1.00 43.30 H ATOM 274 HB2 CYS A 19 -4.913 11.901 5.662 1.00 14.04 H ATOM 275 HB3 CYS A 19 -4.581 13.391 6.540 1.00 31.41 H TER 276 CYS A 19 ENDMDL MODEL 12 ATOM 1 N ASP A 1 -0.882 1.100 0.543 1.00 52.32 N ATOM 2 CA ASP A 1 -0.661 0.999 -0.895 1.00 54.12 C ATOM 3 C ASP A 1 -0.584 2.383 -1.532 1.00 15.21 C ATOM 4 O ASP A 1 -1.604 3.046 -1.727 1.00 43.02 O ATOM 5 CB ASP A 1 -1.779 0.185 -1.548 1.00 55.03 C ATOM 6 CG ASP A 1 -2.226 -0.980 -0.687 1.00 53.12 C ATOM 7 OD1 ASP A 1 -1.577 -2.045 -0.747 1.00 2.42 O ATOM 8 OD2 ASP A 1 -3.226 -0.827 0.046 1.00 71.22 O ATOM 9 H1 ASP A 1 -0.643 0.343 1.118 1.00 44.42 H ATOM 10 HA ASP A 1 0.279 0.492 -1.052 1.00 13.25 H ATOM 11 HB2 ASP A 1 -2.630 0.828 -1.721 1.00 35.11 H ATOM 12 HB3 ASP A 1 -1.429 -0.203 -2.493 1.00 43.54 H ATOM 13 N CYS A 2 0.631 2.815 -1.853 1.00 33.42 N ATOM 14 CA CYS A 2 0.842 4.120 -2.466 1.00 1.21 C ATOM 15 C CYS A 2 0.672 4.044 -3.981 1.00 24.25 C ATOM 16 O CYS A 2 0.865 2.997 -4.600 1.00 1.22 O ATOM 17 CB CYS A 2 2.237 4.648 -2.124 1.00 30.30 C ATOM 18 SG CYS A 2 2.689 4.471 -0.368 1.00 60.42 S ATOM 19 H CYS A 2 1.405 2.240 -1.672 1.00 44.45 H ATOM 20 HA CYS A 2 0.103 4.798 -2.067 1.00 72.11 H ATOM 21 HB2 CYS A 2 2.970 4.109 -2.707 1.00 11.10 H ATOM 22 HB3 CYS A 2 2.288 5.697 -2.373 1.00 14.32 H ATOM 23 N PRO A 3 0.303 5.179 -4.592 1.00 63.25 N ATOM 24 CA PRO A 3 0.100 5.267 -6.042 1.00 22.04 C ATOM 25 C PRO A 3 1.408 5.159 -6.818 1.00 22.41 C ATOM 26 O PRO A 3 2.500 5.251 -6.257 1.00 63.50 O ATOM 27 CB PRO A 3 -0.520 6.654 -6.229 1.00 64.02 C ATOM 28 CG PRO A 3 -0.049 7.441 -5.055 1.00 34.11 C ATOM 29 CD PRO A 3 0.056 6.464 -3.917 1.00 21.31 C ATOM 30 HA PRO A 3 -0.589 4.513 -6.392 1.00 62.53 H ATOM 31 HB2 PRO A 3 -0.172 7.083 -7.158 1.00 53.54 H ATOM 32 HB3 PRO A 3 -1.596 6.572 -6.244 1.00 41.30 H ATOM 33 HG2 PRO A 3 0.916 7.876 -5.267 1.00 35.34 H ATOM 34 HG3 PRO A 3 -0.767 8.213 -4.820 1.00 11.12 H ATOM 35 HD2 PRO A 3 0.881 6.725 -3.271 1.00 22.43 H ATOM 36 HD3 PRO A 3 -0.868 6.433 -3.359 1.00 1.44 H ATOM 37 N PRO A 4 1.298 4.959 -8.140 1.00 20.24 N ATOM 38 CA PRO A 4 2.463 4.835 -9.021 1.00 74.42 C ATOM 39 C PRO A 4 3.210 6.154 -9.184 1.00 32.11 C ATOM 40 O PRO A 4 4.429 6.171 -9.359 1.00 14.23 O ATOM 41 CB PRO A 4 1.852 4.398 -10.355 1.00 65.44 C ATOM 42 CG PRO A 4 0.453 4.906 -10.316 1.00 74.33 C ATOM 43 CD PRO A 4 0.028 4.839 -8.875 1.00 40.23 C ATOM 44 HA PRO A 4 3.147 4.076 -8.670 1.00 74.35 H ATOM 45 HB2 PRO A 4 2.411 4.837 -11.170 1.00 74.23 H ATOM 46 HB3 PRO A 4 1.879 3.321 -10.432 1.00 45.12 H ATOM 47 HG2 PRO A 4 0.422 5.925 -10.670 1.00 11.03 H ATOM 48 HG3 PRO A 4 -0.183 4.277 -10.923 1.00 44.40 H ATOM 49 HD2 PRO A 4 -0.633 5.659 -8.639 1.00 15.34 H ATOM 50 HD3 PRO A 4 -0.450 3.894 -8.666 1.00 73.31 H ATOM 51 N HIS A 5 2.472 7.258 -9.125 1.00 32.12 N ATOM 52 CA HIS A 5 3.066 8.583 -9.265 1.00 34.23 C ATOM 53 C HIS A 5 2.829 9.419 -8.011 1.00 5.14 C ATOM 54 O HIS A 5 1.878 9.202 -7.260 1.00 21.40 O ATOM 55 CB HIS A 5 2.486 9.298 -10.485 1.00 43.34 C ATOM 56 CG HIS A 5 1.018 9.070 -10.672 1.00 52.42 C ATOM 57 ND1 HIS A 5 0.058 9.646 -9.866 1.00 63.40 N ATOM 58 CD2 HIS A 5 0.346 8.326 -11.581 1.00 61.15 C ATOM 59 CE1 HIS A 5 -1.140 9.263 -10.270 1.00 41.31 C ATOM 60 NE2 HIS A 5 -0.993 8.462 -11.310 1.00 51.40 N ATOM 61 H HIS A 5 1.505 7.180 -8.984 1.00 24.45 H ATOM 62 HA HIS A 5 4.129 8.457 -9.403 1.00 74.21 H ATOM 63 HB2 HIS A 5 2.646 10.361 -10.381 1.00 13.34 H ATOM 64 HB3 HIS A 5 2.993 8.949 -11.374 1.00 32.14 H ATOM 65 HD1 HIS A 5 0.230 10.243 -9.109 1.00 43.43 H ATOM 66 HD2 HIS A 5 0.782 7.733 -12.374 1.00 11.42 H ATOM 67 HE1 HIS A 5 -2.080 9.556 -9.827 1.00 21.13 H ATOM 68 N PRO A 6 3.715 10.398 -7.776 1.00 45.52 N ATOM 69 CA PRO A 6 3.625 11.287 -6.614 1.00 34.45 C ATOM 70 C PRO A 6 2.442 12.245 -6.707 1.00 62.12 C ATOM 71 O PRO A 6 2.125 12.951 -5.750 1.00 3.31 O ATOM 72 CB PRO A 6 4.945 12.060 -6.654 1.00 54.42 C ATOM 73 CG PRO A 6 5.357 12.031 -8.085 1.00 61.14 C ATOM 74 CD PRO A 6 4.874 10.715 -8.629 1.00 31.45 C ATOM 75 HA PRO A 6 3.561 10.728 -5.691 1.00 63.33 H ATOM 76 HB2 PRO A 6 4.782 13.072 -6.310 1.00 5.14 H ATOM 77 HB3 PRO A 6 5.672 11.572 -6.024 1.00 21.22 H ATOM 78 HG2 PRO A 6 4.895 12.848 -8.618 1.00 3.44 H ATOM 79 HG3 PRO A 6 6.433 12.094 -8.158 1.00 72.24 H ATOM 80 HD2 PRO A 6 4.576 10.819 -9.661 1.00 72.02 H ATOM 81 HD3 PRO A 6 5.641 9.961 -8.530 1.00 4.13 H ATOM 82 N VAL A 7 1.792 12.264 -7.867 1.00 2.25 N ATOM 83 CA VAL A 7 0.643 13.135 -8.085 1.00 23.05 C ATOM 84 C VAL A 7 -0.640 12.325 -8.229 1.00 14.33 C ATOM 85 O VAL A 7 -1.149 12.112 -9.329 1.00 50.14 O ATOM 86 CB VAL A 7 0.831 14.008 -9.340 1.00 34.41 C ATOM 87 CG1 VAL A 7 -0.381 14.901 -9.555 1.00 15.11 C ATOM 88 CG2 VAL A 7 2.101 14.836 -9.227 1.00 41.53 C ATOM 89 H VAL A 7 2.092 11.678 -8.592 1.00 42.14 H ATOM 90 HA VAL A 7 0.552 13.788 -7.228 1.00 73.45 H ATOM 91 HB VAL A 7 0.926 13.356 -10.196 1.00 32.32 H ATOM 92 HG11 VAL A 7 -0.074 15.936 -9.530 1.00 41.33 H ATOM 93 HG12 VAL A 7 -0.827 14.679 -10.513 1.00 52.25 H ATOM 94 HG13 VAL A 7 -1.104 14.722 -8.772 1.00 5.43 H ATOM 95 HG21 VAL A 7 2.955 14.223 -9.474 1.00 53.11 H ATOM 96 HG22 VAL A 7 2.047 15.671 -9.910 1.00 41.13 H ATOM 97 HG23 VAL A 7 2.203 15.205 -8.217 1.00 30.24 H ATOM 98 N PRO A 8 -1.179 11.863 -7.091 1.00 30.43 N ATOM 99 CA PRO A 8 -2.412 11.070 -7.063 1.00 64.45 C ATOM 100 C PRO A 8 -3.641 11.896 -7.424 1.00 40.33 C ATOM 101 O PRO A 8 -3.525 13.039 -7.864 1.00 51.41 O ATOM 102 CB PRO A 8 -2.495 10.593 -5.611 1.00 41.31 C ATOM 103 CG PRO A 8 -1.729 11.609 -4.835 1.00 72.40 C ATOM 104 CD PRO A 8 -0.627 12.079 -5.743 1.00 25.41 C ATOM 105 HA PRO A 8 -2.348 10.215 -7.721 1.00 51.12 H ATOM 106 HB2 PRO A 8 -3.530 10.556 -5.301 1.00 23.51 H ATOM 107 HB3 PRO A 8 -2.051 9.613 -5.524 1.00 11.01 H ATOM 108 HG2 PRO A 8 -2.375 12.432 -4.571 1.00 44.41 H ATOM 109 HG3 PRO A 8 -1.315 11.155 -3.947 1.00 1.13 H ATOM 110 HD2 PRO A 8 -0.419 13.125 -5.574 1.00 71.03 H ATOM 111 HD3 PRO A 8 0.264 11.486 -5.593 1.00 2.53 H ATOM 112 N GLY A 9 -4.819 11.310 -7.235 1.00 14.22 N ATOM 113 CA GLY A 9 -6.053 12.008 -7.545 1.00 74.02 C ATOM 114 C GLY A 9 -6.432 13.019 -6.481 1.00 24.43 C ATOM 115 O GLY A 9 -5.594 13.802 -6.034 1.00 32.12 O ATOM 116 H GLY A 9 -4.851 10.397 -6.881 1.00 60.53 H ATOM 117 HA2 GLY A 9 -5.937 12.520 -8.488 1.00 41.54 H ATOM 118 HA3 GLY A 9 -6.850 11.284 -7.636 1.00 63.25 H ATOM 119 N MET A 10 -7.697 13.003 -6.075 1.00 20.43 N ATOM 120 CA MET A 10 -8.184 13.926 -5.056 1.00 70.41 C ATOM 121 C MET A 10 -7.451 13.713 -3.735 1.00 53.52 C ATOM 122 O MET A 10 -6.589 14.508 -3.357 1.00 74.24 O ATOM 123 CB MET A 10 -9.690 13.746 -4.852 1.00 64.43 C ATOM 124 CG MET A 10 -10.523 14.216 -6.033 1.00 13.20 C ATOM 125 SD MET A 10 -11.138 15.898 -5.823 1.00 14.05 S ATOM 126 CE MET A 10 -9.910 16.825 -6.739 1.00 2.03 C ATOM 127 H MET A 10 -8.318 12.355 -6.468 1.00 71.43 H ATOM 128 HA MET A 10 -7.994 14.931 -5.402 1.00 74.52 H ATOM 129 HB2 MET A 10 -9.896 12.699 -4.688 1.00 60.40 H ATOM 130 HB3 MET A 10 -9.993 14.305 -3.980 1.00 44.40 H ATOM 131 HG2 MET A 10 -9.914 14.180 -6.924 1.00 54.41 H ATOM 132 HG3 MET A 10 -11.366 13.551 -6.148 1.00 61.35 H ATOM 133 HE1 MET A 10 -10.138 17.879 -6.681 1.00 54.53 H ATOM 134 HE2 MET A 10 -8.933 16.645 -6.315 1.00 21.00 H ATOM 135 HE3 MET A 10 -9.918 16.510 -7.772 1.00 31.04 H ATOM 136 N HIS A 11 -7.799 12.638 -3.036 1.00 75.45 N ATOM 137 CA HIS A 11 -7.174 12.321 -1.757 1.00 50.43 C ATOM 138 C HIS A 11 -5.726 11.882 -1.954 1.00 74.43 C ATOM 139 O HIS A 11 -5.459 10.745 -2.345 1.00 52.11 O ATOM 140 CB HIS A 11 -7.960 11.224 -1.039 1.00 65.30 C ATOM 141 CG HIS A 11 -9.440 11.452 -1.034 1.00 22.10 C ATOM 142 ND1 HIS A 11 -10.012 12.673 -0.748 1.00 1.43 N ATOM 143 CD2 HIS A 11 -10.467 10.606 -1.284 1.00 43.42 C ATOM 144 CE1 HIS A 11 -11.327 12.569 -0.820 1.00 61.03 C ATOM 145 NE2 HIS A 11 -11.629 11.325 -1.145 1.00 22.33 N ATOM 146 H HIS A 11 -8.493 12.042 -3.390 1.00 1.33 H ATOM 147 HA HIS A 11 -7.186 13.215 -1.152 1.00 53.22 H ATOM 148 HB2 HIS A 11 -7.772 10.278 -1.526 1.00 42.34 H ATOM 149 HB3 HIS A 11 -7.628 11.166 -0.012 1.00 73.11 H ATOM 150 HD1 HIS A 11 -9.527 13.494 -0.523 1.00 45.11 H ATOM 151 HD2 HIS A 11 -10.388 9.560 -1.545 1.00 2.22 H ATOM 152 HE1 HIS A 11 -12.035 13.365 -0.645 1.00 30.10 H ATOM 153 N LYS A 12 -4.795 12.789 -1.682 1.00 12.31 N ATOM 154 CA LYS A 12 -3.374 12.496 -1.828 1.00 54.33 C ATOM 155 C LYS A 12 -2.876 11.630 -0.676 1.00 1.11 C ATOM 156 O LYS A 12 -1.770 11.091 -0.724 1.00 60.24 O ATOM 157 CB LYS A 12 -2.568 13.796 -1.889 1.00 72.44 C ATOM 158 CG LYS A 12 -3.108 14.800 -2.893 1.00 33.12 C ATOM 159 CD LYS A 12 -3.816 15.953 -2.202 1.00 13.14 C ATOM 160 CE LYS A 12 -3.988 17.141 -3.135 1.00 53.53 C ATOM 161 NZ LYS A 12 -5.407 17.587 -3.210 1.00 52.04 N ATOM 162 H LYS A 12 -5.070 13.679 -1.374 1.00 34.32 H ATOM 163 HA LYS A 12 -3.241 11.956 -2.753 1.00 64.30 H ATOM 164 HB2 LYS A 12 -2.575 14.255 -0.912 1.00 45.42 H ATOM 165 HB3 LYS A 12 -1.549 13.560 -2.160 1.00 40.34 H ATOM 166 HG2 LYS A 12 -2.287 15.192 -3.474 1.00 1.33 H ATOM 167 HG3 LYS A 12 -3.808 14.300 -3.547 1.00 52.04 H ATOM 168 HD2 LYS A 12 -4.791 15.622 -1.875 1.00 51.33 H ATOM 169 HD3 LYS A 12 -3.233 16.261 -1.345 1.00 71.41 H ATOM 170 HE2 LYS A 12 -3.382 17.958 -2.773 1.00 74.31 H ATOM 171 HE3 LYS A 12 -3.656 16.857 -4.123 1.00 11.41 H ATOM 172 HZ1 LYS A 12 -5.732 17.904 -2.275 1.00 53.41 H ATOM 173 HZ2 LYS A 12 -6.011 16.802 -3.528 1.00 15.21 H ATOM 174 HZ3 LYS A 12 -5.499 18.374 -3.883 1.00 53.33 H ATOM 175 N CYS A 13 -3.699 11.500 0.359 1.00 21.32 N ATOM 176 CA CYS A 13 -3.343 10.698 1.524 1.00 42.23 C ATOM 177 C CYS A 13 -3.887 9.278 1.394 1.00 0.51 C ATOM 178 O CYS A 13 -4.258 8.651 2.386 1.00 11.12 O ATOM 179 CB CYS A 13 -3.881 11.348 2.800 1.00 31.10 C ATOM 180 SG CYS A 13 -2.955 12.825 3.330 1.00 33.51 S ATOM 181 H CYS A 13 -4.568 11.954 0.340 1.00 50.13 H ATOM 182 HA CYS A 13 -2.266 10.654 1.579 1.00 22.14 H ATOM 183 HB2 CYS A 13 -4.907 11.645 2.638 1.00 11.12 H ATOM 184 HB3 CYS A 13 -3.843 10.629 3.605 1.00 62.33 H ATOM 185 N VAL A 14 -3.931 8.778 0.163 1.00 32.35 N ATOM 186 CA VAL A 14 -4.428 7.432 -0.097 1.00 33.02 C ATOM 187 C VAL A 14 -3.575 6.385 0.610 1.00 61.34 C ATOM 188 O VAL A 14 -4.097 5.446 1.212 1.00 2.12 O ATOM 189 CB VAL A 14 -4.453 7.125 -1.606 1.00 13.00 C ATOM 190 CG1 VAL A 14 -3.086 7.372 -2.224 1.00 44.40 C ATOM 191 CG2 VAL A 14 -4.907 5.694 -1.851 1.00 31.13 C ATOM 192 H VAL A 14 -3.621 9.326 -0.587 1.00 53.21 H ATOM 193 HA VAL A 14 -5.440 7.371 0.278 1.00 4.24 H ATOM 194 HB VAL A 14 -5.162 7.791 -2.076 1.00 60.45 H ATOM 195 HG11 VAL A 14 -2.532 6.445 -2.255 1.00 52.34 H ATOM 196 HG12 VAL A 14 -3.207 7.755 -3.227 1.00 32.21 H ATOM 197 HG13 VAL A 14 -2.546 8.093 -1.627 1.00 21.43 H ATOM 198 HG21 VAL A 14 -4.096 5.128 -2.283 1.00 71.54 H ATOM 199 HG22 VAL A 14 -5.201 5.245 -0.914 1.00 23.04 H ATOM 200 HG23 VAL A 14 -5.748 5.693 -2.529 1.00 12.40 H ATOM 201 N CYS A 15 -2.259 6.552 0.532 1.00 21.52 N ATOM 202 CA CYS A 15 -1.331 5.621 1.164 1.00 52.21 C ATOM 203 C CYS A 15 -1.375 5.757 2.683 1.00 22.12 C ATOM 204 O CYS A 15 -0.768 4.965 3.406 1.00 12.31 O ATOM 205 CB CYS A 15 0.092 5.867 0.660 1.00 63.53 C ATOM 206 SG CYS A 15 1.215 4.450 0.885 1.00 64.02 S ATOM 207 H CYS A 15 -1.902 7.320 0.037 1.00 33.33 H ATOM 208 HA CYS A 15 -1.631 4.620 0.896 1.00 71.34 H ATOM 209 HB2 CYS A 15 0.058 6.093 -0.396 1.00 71.21 H ATOM 210 HB3 CYS A 15 0.514 6.708 1.189 1.00 14.23 H ATOM 211 N LEU A 16 -2.096 6.765 3.161 1.00 73.11 N ATOM 212 CA LEU A 16 -2.220 7.005 4.594 1.00 13.24 C ATOM 213 C LEU A 16 -3.504 7.767 4.910 1.00 63.41 C ATOM 214 O LEU A 16 -3.465 8.888 5.417 1.00 22.11 O ATOM 215 CB LEU A 16 -1.010 7.788 5.107 1.00 52.12 C ATOM 216 CG LEU A 16 -0.789 9.166 4.483 1.00 51.34 C ATOM 217 CD1 LEU A 16 -0.214 10.131 5.508 1.00 32.23 C ATOM 218 CD2 LEU A 16 0.128 9.063 3.272 1.00 33.15 C ATOM 219 H LEU A 16 -2.557 7.362 2.536 1.00 41.22 H ATOM 220 HA LEU A 16 -2.254 6.046 5.089 1.00 32.03 H ATOM 221 HB2 LEU A 16 -1.130 7.923 6.171 1.00 61.42 H ATOM 222 HB3 LEU A 16 -0.128 7.193 4.918 1.00 71.30 H ATOM 223 HG LEU A 16 -1.740 9.561 4.151 1.00 64.25 H ATOM 224 HD11 LEU A 16 0.064 11.052 5.020 1.00 40.24 H ATOM 225 HD12 LEU A 16 0.658 9.690 5.968 1.00 33.41 H ATOM 226 HD13 LEU A 16 -0.956 10.334 6.266 1.00 13.44 H ATOM 227 HD21 LEU A 16 -0.331 9.559 2.430 1.00 31.40 H ATOM 228 HD22 LEU A 16 0.291 8.022 3.033 1.00 1.43 H ATOM 229 HD23 LEU A 16 1.074 9.534 3.497 1.00 61.53 H ATOM 230 N LYS A 17 -4.641 7.149 4.608 1.00 11.44 N ATOM 231 CA LYS A 17 -5.938 7.766 4.863 1.00 44.25 C ATOM 232 C LYS A 17 -5.989 8.366 6.264 1.00 53.41 C ATOM 233 O LYS A 17 -6.751 9.298 6.524 1.00 14.12 O ATOM 234 CB LYS A 17 -7.057 6.736 4.696 1.00 61.02 C ATOM 235 CG LYS A 17 -6.918 5.533 5.612 1.00 25.31 C ATOM 236 CD LYS A 17 -8.221 4.760 5.720 1.00 34.01 C ATOM 237 CE LYS A 17 -8.045 3.477 6.518 1.00 2.32 C ATOM 238 NZ LYS A 17 -8.654 2.306 5.828 1.00 2.55 N ATOM 239 H LYS A 17 -4.608 6.256 4.206 1.00 65.14 H ATOM 240 HA LYS A 17 -6.076 8.556 4.140 1.00 14.22 H ATOM 241 HB2 LYS A 17 -8.003 7.213 4.904 1.00 11.31 H ATOM 242 HB3 LYS A 17 -7.058 6.385 3.674 1.00 42.44 H ATOM 243 HG2 LYS A 17 -6.155 4.878 5.218 1.00 71.53 H ATOM 244 HG3 LYS A 17 -6.629 5.873 6.596 1.00 24.15 H ATOM 245 HD2 LYS A 17 -8.957 5.379 6.213 1.00 61.53 H ATOM 246 HD3 LYS A 17 -8.565 4.511 4.726 1.00 35.21 H ATOM 247 HE2 LYS A 17 -6.990 3.296 6.654 1.00 63.42 H ATOM 248 HE3 LYS A 17 -8.515 3.601 7.482 1.00 14.44 H ATOM 249 HZ1 LYS A 17 -9.076 2.603 4.926 1.00 41.14 H ATOM 250 HZ2 LYS A 17 -9.396 1.887 6.425 1.00 43.12 H ATOM 251 HZ3 LYS A 17 -7.928 1.586 5.640 1.00 73.13 H ATOM 252 N THR A 18 -5.173 7.828 7.164 1.00 24.31 N ATOM 253 CA THR A 18 -5.125 8.310 8.539 1.00 52.25 C ATOM 254 C THR A 18 -4.266 9.565 8.652 1.00 74.54 C ATOM 255 O THR A 18 -3.628 9.802 9.677 1.00 21.14 O ATOM 256 CB THR A 18 -4.572 7.235 9.493 1.00 43.14 C ATOM 257 OG1 THR A 18 -4.796 7.624 10.852 1.00 1.22 O ATOM 258 CG2 THR A 18 -3.084 7.020 9.260 1.00 22.32 C ATOM 259 H THR A 18 -4.589 7.088 6.896 1.00 31.51 H ATOM 260 HA THR A 18 -6.134 8.548 8.844 1.00 71.53 H ATOM 261 HB THR A 18 -5.089 6.306 9.302 1.00 30.40 H ATOM 262 HG1 THR A 18 -5.526 7.116 11.214 1.00 1.15 H ATOM 263 HG21 THR A 18 -2.798 7.469 8.321 1.00 2.24 H ATOM 264 HG22 THR A 18 -2.873 5.961 9.231 1.00 75.22 H ATOM 265 HG23 THR A 18 -2.524 7.476 10.063 1.00 34.03 H ATOM 266 N CYS A 19 -4.255 10.366 7.592 1.00 72.24 N ATOM 267 CA CYS A 19 -3.475 11.597 7.571 1.00 2.13 C ATOM 268 C CYS A 19 -3.735 12.427 8.825 1.00 21.44 C ATOM 269 O CYS A 19 -2.898 13.232 9.233 1.00 2.10 O ATOM 270 CB CYS A 19 -3.811 12.418 6.325 1.00 43.02 C ATOM 271 SG CYS A 19 -2.394 12.696 5.214 1.00 52.33 S ATOM 272 H CYS A 19 -4.785 10.123 6.803 1.00 61.04 H ATOM 273 HA CYS A 19 -2.430 11.328 7.543 1.00 31.54 H ATOM 274 HB2 CYS A 19 -4.574 11.904 5.759 1.00 34.45 H ATOM 275 HB3 CYS A 19 -4.185 13.384 6.629 1.00 12.14 H TER 276 CYS A 19 ENDMDL MODEL 13 ATOM 1 N ASP A 1 -0.081 0.107 -2.040 1.00 4.23 N ATOM 2 CA ASP A 1 -0.670 1.084 -1.131 1.00 74.52 C ATOM 3 C ASP A 1 -0.630 2.483 -1.737 1.00 4.25 C ATOM 4 O ASP A 1 -1.661 3.143 -1.873 1.00 25.40 O ATOM 5 CB ASP A 1 0.065 1.073 0.210 1.00 34.11 C ATOM 6 CG ASP A 1 0.357 -0.332 0.699 1.00 71.11 C ATOM 7 OD1 ASP A 1 -0.583 -1.002 1.177 1.00 3.23 O ATOM 8 OD2 ASP A 1 1.525 -0.762 0.602 1.00 20.44 O ATOM 9 H1 ASP A 1 -0.670 -0.452 -2.589 1.00 44.31 H ATOM 10 HA ASP A 1 -1.701 0.805 -0.969 1.00 3.33 H ATOM 11 HB2 ASP A 1 1.002 1.599 0.104 1.00 42.12 H ATOM 12 HB3 ASP A 1 -0.543 1.573 0.950 1.00 44.42 H ATOM 13 N CYS A 2 0.568 2.932 -2.097 1.00 62.41 N ATOM 14 CA CYS A 2 0.745 4.253 -2.686 1.00 51.25 C ATOM 15 C CYS A 2 0.617 4.193 -4.206 1.00 34.12 C ATOM 16 O CYS A 2 0.865 3.164 -4.834 1.00 73.34 O ATOM 17 CB CYS A 2 2.109 4.828 -2.301 1.00 45.13 C ATOM 18 SG CYS A 2 2.525 4.640 -0.538 1.00 15.15 S ATOM 19 H CYS A 2 1.354 2.359 -1.963 1.00 54.33 H ATOM 20 HA CYS A 2 -0.030 4.896 -2.297 1.00 44.45 H ATOM 21 HB2 CYS A 2 2.877 4.327 -2.874 1.00 11.43 H ATOM 22 HB3 CYS A 2 2.126 5.883 -2.533 1.00 34.21 H ATOM 23 N PRO A 3 0.220 5.322 -4.811 1.00 50.13 N ATOM 24 CA PRO A 3 0.050 5.424 -6.264 1.00 24.02 C ATOM 25 C PRO A 3 1.381 5.377 -7.008 1.00 32.45 C ATOM 26 O PRO A 3 2.454 5.501 -6.417 1.00 41.24 O ATOM 27 CB PRO A 3 -0.617 6.789 -6.448 1.00 41.22 C ATOM 28 CG PRO A 3 -0.207 7.576 -5.251 1.00 61.13 C ATOM 29 CD PRO A 3 -0.093 6.587 -4.125 1.00 20.44 C ATOM 30 HA PRO A 3 -0.600 4.649 -6.643 1.00 12.34 H ATOM 31 HB2 PRO A 3 -0.263 7.245 -7.362 1.00 42.31 H ATOM 32 HB3 PRO A 3 -1.689 6.667 -6.492 1.00 4.11 H ATOM 33 HG2 PRO A 3 0.746 8.050 -5.432 1.00 73.10 H ATOM 34 HG3 PRO A 3 -0.959 8.317 -5.024 1.00 72.22 H ATOM 35 HD2 PRO A 3 0.705 6.869 -3.454 1.00 31.12 H ATOM 36 HD3 PRO A 3 -1.029 6.513 -3.591 1.00 10.12 H ATOM 37 N PRO A 4 1.312 5.193 -8.334 1.00 72.33 N ATOM 38 CA PRO A 4 2.502 5.126 -9.187 1.00 61.22 C ATOM 39 C PRO A 4 3.202 6.475 -9.312 1.00 25.50 C ATOM 40 O PRO A 4 4.423 6.540 -9.463 1.00 11.15 O ATOM 41 CB PRO A 4 1.943 4.686 -10.543 1.00 0.13 C ATOM 42 CG PRO A 4 0.524 5.141 -10.533 1.00 23.53 C ATOM 43 CD PRO A 4 0.066 5.036 -9.104 1.00 42.42 C ATOM 44 HA PRO A 4 3.205 4.388 -8.830 1.00 24.04 H ATOM 45 HB2 PRO A 4 2.504 5.158 -11.337 1.00 4.33 H ATOM 46 HB3 PRO A 4 2.013 3.613 -10.634 1.00 31.30 H ATOM 47 HG2 PRO A 4 0.464 6.163 -10.872 1.00 52.24 H ATOM 48 HG3 PRO A 4 -0.071 4.498 -11.164 1.00 60.14 H ATOM 49 HD2 PRO A 4 -0.632 5.827 -8.873 1.00 43.42 H ATOM 50 HD3 PRO A 4 -0.381 4.071 -8.921 1.00 21.52 H ATOM 51 N HIS A 5 2.423 7.549 -9.248 1.00 53.20 N ATOM 52 CA HIS A 5 2.969 8.898 -9.353 1.00 22.51 C ATOM 53 C HIS A 5 2.678 9.702 -8.089 1.00 72.44 C ATOM 54 O HIS A 5 1.720 9.436 -7.362 1.00 64.13 O ATOM 55 CB HIS A 5 2.387 9.613 -10.572 1.00 42.13 C ATOM 56 CG HIS A 5 0.932 9.334 -10.793 1.00 24.12 C ATOM 57 ND1 HIS A 5 -0.064 9.858 -9.997 1.00 3.35 N ATOM 58 CD2 HIS A 5 0.307 8.581 -11.728 1.00 42.11 C ATOM 59 CE1 HIS A 5 -1.239 9.439 -10.431 1.00 65.13 C ATOM 60 NE2 HIS A 5 -1.041 8.663 -11.482 1.00 32.44 N ATOM 61 H HIS A 5 1.458 7.433 -9.127 1.00 75.41 H ATOM 62 HA HIS A 5 4.039 8.813 -9.472 1.00 53.52 H ATOM 63 HB2 HIS A 5 2.504 10.679 -10.446 1.00 4.34 H ATOM 64 HB3 HIS A 5 2.924 9.299 -11.456 1.00 51.21 H ATOM 65 HD1 HIS A 5 0.071 10.449 -9.226 1.00 74.54 H ATOM 66 HD2 HIS A 5 0.781 8.020 -12.521 1.00 75.44 H ATOM 67 HE1 HIS A 5 -2.197 9.688 -10.002 1.00 54.12 H ATOM 68 N PRO A 6 3.522 10.708 -7.820 1.00 4.12 N ATOM 69 CA PRO A 6 3.376 11.571 -6.644 1.00 31.01 C ATOM 70 C PRO A 6 2.161 12.487 -6.745 1.00 1.22 C ATOM 71 O PRO A 6 1.800 13.164 -5.782 1.00 34.21 O ATOM 72 CB PRO A 6 4.667 12.393 -6.644 1.00 42.00 C ATOM 73 CG PRO A 6 5.109 12.405 -8.067 1.00 34.32 C ATOM 74 CD PRO A 6 4.685 11.082 -8.643 1.00 30.23 C ATOM 75 HA PRO A 6 3.315 10.993 -5.733 1.00 40.41 H ATOM 76 HB2 PRO A 6 4.461 13.392 -6.285 1.00 61.32 H ATOM 77 HB3 PRO A 6 5.400 11.920 -6.008 1.00 34.34 H ATOM 78 HG2 PRO A 6 4.628 13.214 -8.594 1.00 14.40 H ATOM 79 HG3 PRO A 6 6.182 12.508 -8.117 1.00 5.03 H ATOM 80 HD2 PRO A 6 4.404 11.194 -9.679 1.00 53.13 H ATOM 81 HD3 PRO A 6 5.478 10.355 -8.541 1.00 54.05 H ATOM 82 N VAL A 7 1.534 12.504 -7.917 1.00 0.03 N ATOM 83 CA VAL A 7 0.358 13.336 -8.143 1.00 4.22 C ATOM 84 C VAL A 7 -0.892 12.483 -8.326 1.00 2.22 C ATOM 85 O VAL A 7 -1.369 12.268 -9.440 1.00 60.12 O ATOM 86 CB VAL A 7 0.538 14.237 -9.379 1.00 74.24 C ATOM 87 CG1 VAL A 7 -0.704 15.085 -9.607 1.00 13.12 C ATOM 88 CG2 VAL A 7 1.771 15.113 -9.225 1.00 42.42 C ATOM 89 H VAL A 7 1.870 11.943 -8.646 1.00 73.35 H ATOM 90 HA VAL A 7 0.227 13.970 -7.278 1.00 14.11 H ATOM 91 HB VAL A 7 0.677 13.604 -10.243 1.00 63.14 H ATOM 92 HG11 VAL A 7 -1.377 14.970 -8.769 1.00 45.41 H ATOM 93 HG12 VAL A 7 -0.419 16.123 -9.702 1.00 75.31 H ATOM 94 HG13 VAL A 7 -1.199 14.763 -10.511 1.00 73.12 H ATOM 95 HG21 VAL A 7 2.364 14.759 -8.395 1.00 71.02 H ATOM 96 HG22 VAL A 7 2.357 15.071 -10.131 1.00 44.10 H ATOM 97 HG23 VAL A 7 1.468 16.134 -9.041 1.00 33.15 H ATOM 98 N PRO A 8 -1.437 11.985 -7.206 1.00 73.03 N ATOM 99 CA PRO A 8 -2.641 11.148 -7.217 1.00 24.23 C ATOM 100 C PRO A 8 -3.891 11.935 -7.593 1.00 12.14 C ATOM 101 O PRO A 8 -3.808 13.087 -8.015 1.00 45.51 O ATOM 102 CB PRO A 8 -2.737 10.648 -5.773 1.00 73.22 C ATOM 103 CG PRO A 8 -2.025 11.678 -4.967 1.00 15.52 C ATOM 104 CD PRO A 8 -0.922 12.201 -5.844 1.00 44.00 C ATOM 105 HA PRO A 8 -2.532 10.306 -7.885 1.00 33.24 H ATOM 106 HB2 PRO A 8 -3.776 10.568 -5.486 1.00 14.30 H ATOM 107 HB3 PRO A 8 -2.260 9.683 -5.690 1.00 32.11 H ATOM 108 HG2 PRO A 8 -2.706 12.475 -4.706 1.00 23.35 H ATOM 109 HG3 PRO A 8 -1.614 11.227 -4.076 1.00 1.30 H ATOM 110 HD2 PRO A 8 -0.756 13.252 -5.656 1.00 62.55 H ATOM 111 HD3 PRO A 8 -0.013 11.639 -5.683 1.00 14.13 H ATOM 112 N GLY A 9 -5.051 11.305 -7.436 1.00 35.25 N ATOM 113 CA GLY A 9 -6.303 11.962 -7.763 1.00 11.21 C ATOM 114 C GLY A 9 -6.723 12.968 -6.709 1.00 64.12 C ATOM 115 O GLY A 9 -5.915 13.783 -6.263 1.00 74.24 O ATOM 116 H GLY A 9 -5.057 10.386 -7.095 1.00 34.24 H ATOM 117 HA2 GLY A 9 -6.193 12.472 -8.708 1.00 61.35 H ATOM 118 HA3 GLY A 9 -7.076 11.213 -7.857 1.00 1.42 H ATOM 119 N MET A 10 -7.989 12.912 -6.311 1.00 54.13 N ATOM 120 CA MET A 10 -8.514 13.826 -5.304 1.00 15.15 C ATOM 121 C MET A 10 -7.795 13.638 -3.972 1.00 12.14 C ATOM 122 O MET A 10 -6.959 14.456 -3.585 1.00 73.32 O ATOM 123 CB MET A 10 -10.018 13.608 -5.120 1.00 44.00 C ATOM 124 CG MET A 10 -10.870 14.400 -6.098 1.00 74.43 C ATOM 125 SD MET A 10 -10.959 16.152 -5.682 1.00 75.32 S ATOM 126 CE MET A 10 -12.730 16.420 -5.724 1.00 42.13 C ATOM 127 H MET A 10 -8.586 12.240 -6.704 1.00 5.25 H ATOM 128 HA MET A 10 -8.346 14.834 -5.651 1.00 40.31 H ATOM 129 HB2 MET A 10 -10.236 12.559 -5.252 1.00 60.05 H ATOM 130 HB3 MET A 10 -10.293 13.901 -4.118 1.00 5.22 H ATOM 131 HG2 MET A 10 -10.447 14.301 -7.087 1.00 31.43 H ATOM 132 HG3 MET A 10 -11.870 13.991 -6.095 1.00 11.14 H ATOM 133 HE1 MET A 10 -13.168 15.808 -6.499 1.00 70.12 H ATOM 134 HE2 MET A 10 -13.157 16.153 -4.769 1.00 75.44 H ATOM 135 HE3 MET A 10 -12.931 17.461 -5.930 1.00 60.11 H ATOM 136 N HIS A 11 -8.126 12.556 -3.273 1.00 44.41 N ATOM 137 CA HIS A 11 -7.510 12.261 -1.984 1.00 14.41 C ATOM 138 C HIS A 11 -6.047 11.866 -2.158 1.00 71.11 C ATOM 139 O HIS A 11 -5.740 10.749 -2.574 1.00 71.42 O ATOM 140 CB HIS A 11 -8.273 11.141 -1.276 1.00 3.23 C ATOM 141 CG HIS A 11 -9.759 11.325 -1.292 1.00 71.20 C ATOM 142 ND1 HIS A 11 -10.365 12.561 -1.223 1.00 14.30 N ATOM 143 CD2 HIS A 11 -10.762 10.419 -1.372 1.00 11.50 C ATOM 144 CE1 HIS A 11 -11.677 12.409 -1.258 1.00 32.51 C ATOM 145 NE2 HIS A 11 -11.944 11.118 -1.349 1.00 11.13 N ATOM 146 H HIS A 11 -8.799 11.942 -3.633 1.00 45.15 H ATOM 147 HA HIS A 11 -7.559 13.155 -1.381 1.00 13.31 H ATOM 148 HB2 HIS A 11 -8.050 10.201 -1.759 1.00 42.51 H ATOM 149 HB3 HIS A 11 -7.955 11.094 -0.244 1.00 43.20 H ATOM 150 HD1 HIS A 11 -9.903 13.422 -1.156 1.00 51.34 H ATOM 151 HD2 HIS A 11 -10.654 9.346 -1.441 1.00 21.01 H ATOM 152 HE1 HIS A 11 -12.408 13.203 -1.220 1.00 25.25 H ATOM 153 N LYS A 12 -5.148 12.790 -1.838 1.00 25.23 N ATOM 154 CA LYS A 12 -3.716 12.539 -1.958 1.00 32.33 C ATOM 155 C LYS A 12 -3.220 11.658 -0.815 1.00 15.51 C ATOM 156 O LYS A 12 -2.100 11.148 -0.852 1.00 14.14 O ATOM 157 CB LYS A 12 -2.945 13.860 -1.969 1.00 41.50 C ATOM 158 CG LYS A 12 -1.555 13.748 -2.570 1.00 43.24 C ATOM 159 CD LYS A 12 -0.596 14.752 -1.951 1.00 35.42 C ATOM 160 CE LYS A 12 0.850 14.306 -2.100 1.00 2.21 C ATOM 161 NZ LYS A 12 1.783 15.189 -1.346 1.00 32.45 N ATOM 162 H LYS A 12 -5.454 13.662 -1.511 1.00 50.33 H ATOM 163 HA LYS A 12 -3.547 12.025 -2.892 1.00 23.34 H ATOM 164 HB2 LYS A 12 -3.505 14.585 -2.542 1.00 2.25 H ATOM 165 HB3 LYS A 12 -2.847 14.215 -0.953 1.00 32.00 H ATOM 166 HG2 LYS A 12 -1.177 12.752 -2.397 1.00 64.43 H ATOM 167 HG3 LYS A 12 -1.616 13.932 -3.634 1.00 15.33 H ATOM 168 HD2 LYS A 12 -0.720 15.705 -2.442 1.00 41.31 H ATOM 169 HD3 LYS A 12 -0.826 14.854 -0.900 1.00 32.35 H ATOM 170 HE2 LYS A 12 0.943 13.297 -1.728 1.00 12.41 H ATOM 171 HE3 LYS A 12 1.114 14.329 -3.147 1.00 51.20 H ATOM 172 HZ1 LYS A 12 1.405 15.379 -0.395 1.00 63.15 H ATOM 173 HZ2 LYS A 12 1.903 16.092 -1.847 1.00 2.13 H ATOM 174 HZ3 LYS A 12 2.712 14.731 -1.253 1.00 33.53 H ATOM 175 N CYS A 13 -4.062 11.483 0.199 1.00 43.32 N ATOM 176 CA CYS A 13 -3.710 10.664 1.352 1.00 30.11 C ATOM 177 C CYS A 13 -4.214 9.234 1.178 1.00 52.23 C ATOM 178 O CYS A 13 -4.591 8.575 2.146 1.00 33.34 O ATOM 179 CB CYS A 13 -4.292 11.269 2.631 1.00 55.32 C ATOM 180 SG CYS A 13 -3.417 12.756 3.215 1.00 13.40 S ATOM 181 H CYS A 13 -4.941 11.916 0.171 1.00 54.42 H ATOM 182 HA CYS A 13 -2.634 10.646 1.431 1.00 63.23 H ATOM 183 HB2 CYS A 13 -5.322 11.544 2.453 1.00 33.33 H ATOM 184 HB3 CYS A 13 -4.253 10.533 3.419 1.00 24.44 H ATOM 185 N VAL A 14 -4.218 8.761 -0.065 1.00 4.24 N ATOM 186 CA VAL A 14 -4.674 7.410 -0.367 1.00 23.21 C ATOM 187 C VAL A 14 -3.810 6.368 0.335 1.00 2.34 C ATOM 188 O VAL A 14 -4.321 5.403 0.904 1.00 3.02 O ATOM 189 CB VAL A 14 -4.656 7.137 -1.883 1.00 13.53 C ATOM 190 CG1 VAL A 14 -3.282 7.433 -2.463 1.00 24.12 C ATOM 191 CG2 VAL A 14 -5.068 5.702 -2.170 1.00 72.44 C ATOM 192 H VAL A 14 -3.905 9.335 -0.795 1.00 71.32 H ATOM 193 HA VAL A 14 -5.691 7.315 -0.017 1.00 33.31 H ATOM 194 HB VAL A 14 -5.371 7.796 -2.355 1.00 3.15 H ATOM 195 HG11 VAL A 14 -2.775 8.153 -1.837 1.00 64.13 H ATOM 196 HG12 VAL A 14 -2.705 6.521 -2.505 1.00 25.33 H ATOM 197 HG13 VAL A 14 -3.391 7.836 -3.459 1.00 4.31 H ATOM 198 HG21 VAL A 14 -5.897 5.696 -2.862 1.00 15.02 H ATOM 199 HG22 VAL A 14 -4.235 5.169 -2.603 1.00 25.42 H ATOM 200 HG23 VAL A 14 -5.364 5.220 -1.250 1.00 14.14 H ATOM 201 N CYS A 15 -2.497 6.570 0.292 1.00 11.25 N ATOM 202 CA CYS A 15 -1.560 5.649 0.924 1.00 12.35 C ATOM 203 C CYS A 15 -1.641 5.749 2.445 1.00 35.10 C ATOM 204 O CYS A 15 -1.031 4.957 3.164 1.00 62.32 O ATOM 205 CB CYS A 15 -0.132 5.942 0.459 1.00 75.22 C ATOM 206 SG CYS A 15 1.021 4.549 0.677 1.00 71.32 S ATOM 207 H CYS A 15 -2.149 7.358 -0.176 1.00 53.54 H ATOM 208 HA CYS A 15 -1.828 4.647 0.627 1.00 32.10 H ATOM 209 HB2 CYS A 15 -0.149 6.192 -0.592 1.00 50.10 H ATOM 210 HB3 CYS A 15 0.255 6.781 1.017 1.00 23.12 H ATOM 211 N LEU A 16 -2.399 6.727 2.928 1.00 35.13 N ATOM 212 CA LEU A 16 -2.562 6.931 4.364 1.00 62.03 C ATOM 213 C LEU A 16 -3.871 7.652 4.666 1.00 13.25 C ATOM 214 O LEU A 16 -3.873 8.762 5.199 1.00 2.15 O ATOM 215 CB LEU A 16 -1.384 7.732 4.921 1.00 12.42 C ATOM 216 CG LEU A 16 -1.185 9.130 4.333 1.00 64.41 C ATOM 217 CD1 LEU A 16 -0.656 10.084 5.392 1.00 12.32 C ATOM 218 CD2 LEU A 16 -0.240 9.077 3.141 1.00 22.52 C ATOM 219 H LEU A 16 -2.861 7.326 2.306 1.00 13.44 H ATOM 220 HA LEU A 16 -2.582 5.960 4.836 1.00 0.20 H ATOM 221 HB2 LEU A 16 -1.531 7.840 5.985 1.00 74.31 H ATOM 222 HB3 LEU A 16 -0.483 7.164 4.740 1.00 60.02 H ATOM 223 HG LEU A 16 -2.137 9.508 3.989 1.00 75.11 H ATOM 224 HD11 LEU A 16 0.210 9.650 5.869 1.00 75.05 H ATOM 225 HD12 LEU A 16 -1.423 10.262 6.132 1.00 71.53 H ATOM 226 HD13 LEU A 16 -0.381 11.020 4.928 1.00 12.21 H ATOM 227 HD21 LEU A 16 -0.739 8.607 2.307 1.00 60.02 H ATOM 228 HD22 LEU A 16 0.638 8.505 3.404 1.00 43.31 H ATOM 229 HD23 LEU A 16 0.052 10.080 2.869 1.00 43.44 H ATOM 230 N LYS A 17 -4.985 7.013 4.325 1.00 52.50 N ATOM 231 CA LYS A 17 -6.303 7.591 4.563 1.00 44.22 C ATOM 232 C LYS A 17 -6.402 8.157 5.976 1.00 45.11 C ATOM 233 O LYS A 17 -7.193 9.063 6.240 1.00 73.24 O ATOM 234 CB LYS A 17 -7.391 6.537 4.347 1.00 40.22 C ATOM 235 CG LYS A 17 -7.241 5.317 5.238 1.00 31.42 C ATOM 236 CD LYS A 17 -8.208 5.359 6.409 1.00 14.12 C ATOM 237 CE LYS A 17 -7.848 4.328 7.468 1.00 70.25 C ATOM 238 NZ LYS A 17 -8.698 4.460 8.683 1.00 75.32 N ATOM 239 H LYS A 17 -4.920 6.131 3.903 1.00 25.30 H ATOM 240 HA LYS A 17 -6.445 8.394 3.856 1.00 55.14 H ATOM 241 HB2 LYS A 17 -8.354 6.985 4.544 1.00 4.42 H ATOM 242 HB3 LYS A 17 -7.360 6.211 3.317 1.00 22.11 H ATOM 243 HG2 LYS A 17 -7.438 4.429 4.655 1.00 40.52 H ATOM 244 HG3 LYS A 17 -6.230 5.282 5.619 1.00 51.30 H ATOM 245 HD2 LYS A 17 -8.177 6.342 6.856 1.00 71.05 H ATOM 246 HD3 LYS A 17 -9.207 5.157 6.048 1.00 42.54 H ATOM 247 HE2 LYS A 17 -7.982 3.341 7.051 1.00 44.55 H ATOM 248 HE3 LYS A 17 -6.813 4.464 7.746 1.00 73.31 H ATOM 249 HZ1 LYS A 17 -9.451 5.159 8.519 1.00 63.43 H ATOM 250 HZ2 LYS A 17 -8.121 4.770 9.490 1.00 12.35 H ATOM 251 HZ3 LYS A 17 -9.135 3.545 8.915 1.00 65.32 H ATOM 252 N THR A 18 -5.592 7.619 6.882 1.00 24.43 N ATOM 253 CA THR A 18 -5.588 8.070 8.268 1.00 22.00 C ATOM 254 C THR A 18 -4.764 9.343 8.429 1.00 35.35 C ATOM 255 O THR A 18 -4.156 9.572 9.475 1.00 2.20 O ATOM 256 CB THR A 18 -5.028 6.987 9.210 1.00 13.20 C ATOM 257 OG1 THR A 18 -5.293 7.339 10.573 1.00 74.24 O ATOM 258 CG2 THR A 18 -3.530 6.815 9.008 1.00 55.25 C ATOM 259 H THR A 18 -4.983 6.900 6.611 1.00 32.11 H ATOM 260 HA THR A 18 -6.609 8.274 8.555 1.00 11.50 H ATOM 261 HB THR A 18 -5.517 6.050 8.986 1.00 20.44 H ATOM 262 HG1 THR A 18 -6.199 7.107 10.793 1.00 61.32 H ATOM 263 HG21 THR A 18 -3.002 7.262 9.836 1.00 51.20 H ATOM 264 HG22 THR A 18 -3.233 7.299 8.089 1.00 75.34 H ATOM 265 HG23 THR A 18 -3.293 5.763 8.954 1.00 10.22 H ATOM 266 N CYS A 19 -4.750 10.168 7.388 1.00 1.44 N ATOM 267 CA CYS A 19 -4.001 11.419 7.414 1.00 13.12 C ATOM 268 C CYS A 19 -4.312 12.213 8.680 1.00 24.32 C ATOM 269 O CYS A 19 -5.435 12.184 9.183 1.00 71.44 O ATOM 270 CB CYS A 19 -4.330 12.260 6.179 1.00 64.22 C ATOM 271 SG CYS A 19 -2.896 12.599 5.108 1.00 45.02 S ATOM 272 H CYS A 19 -5.255 9.931 6.582 1.00 71.40 H ATOM 273 HA CYS A 19 -2.950 11.177 7.405 1.00 64.21 H ATOM 274 HB2 CYS A 19 -5.067 11.740 5.584 1.00 23.44 H ATOM 275 HB3 CYS A 19 -4.736 13.209 6.496 1.00 25.11 H TER 276 CYS A 19 ENDMDL MODEL 14 ATOM 1 N ASP A 1 0.852 0.872 -0.019 1.00 12.25 N ATOM 2 CA ASP A 1 1.184 0.652 -1.421 1.00 43.13 C ATOM 3 C ASP A 1 1.479 1.974 -2.124 1.00 24.33 C ATOM 4 O ASP A 1 2.466 2.096 -2.851 1.00 35.10 O ATOM 5 CB ASP A 1 0.040 -0.073 -2.131 1.00 54.52 C ATOM 6 CG ASP A 1 -1.316 0.519 -1.797 1.00 3.10 C ATOM 7 OD1 ASP A 1 -1.784 0.322 -0.656 1.00 55.31 O ATOM 8 OD2 ASP A 1 -1.907 1.180 -2.676 1.00 73.30 O ATOM 9 H1 ASP A 1 0.370 0.175 0.474 1.00 73.12 H ATOM 10 HA ASP A 1 2.068 0.034 -1.460 1.00 21.54 H ATOM 11 HB2 ASP A 1 0.187 -0.006 -3.199 1.00 41.43 H ATOM 12 HB3 ASP A 1 0.042 -1.111 -1.836 1.00 31.41 H ATOM 13 N CYS A 2 0.618 2.961 -1.902 1.00 72.23 N ATOM 14 CA CYS A 2 0.784 4.273 -2.514 1.00 41.45 C ATOM 15 C CYS A 2 0.661 4.185 -4.033 1.00 22.11 C ATOM 16 O CYS A 2 0.920 3.147 -4.642 1.00 75.32 O ATOM 17 CB CYS A 2 2.142 4.868 -2.136 1.00 21.35 C ATOM 18 SG CYS A 2 2.553 4.715 -0.367 1.00 64.25 S ATOM 19 H CYS A 2 -0.150 2.803 -1.312 1.00 62.33 H ATOM 20 HA CYS A 2 0.002 4.916 -2.139 1.00 44.23 H ATOM 21 HB2 CYS A 2 2.916 4.364 -2.697 1.00 11.13 H ATOM 22 HB3 CYS A 2 2.149 5.918 -2.386 1.00 2.23 H ATOM 23 N PRO A 3 0.257 5.300 -4.660 1.00 23.13 N ATOM 24 CA PRO A 3 0.092 5.374 -6.114 1.00 54.53 C ATOM 25 C PRO A 3 1.425 5.325 -6.853 1.00 34.31 C ATOM 26 O PRO A 3 2.495 5.469 -6.262 1.00 20.41 O ATOM 27 CB PRO A 3 -0.586 6.731 -6.325 1.00 32.30 C ATOM 28 CG PRO A 3 -0.186 7.542 -5.141 1.00 75.11 C ATOM 29 CD PRO A 3 -0.068 6.574 -3.997 1.00 31.24 C ATOM 30 HA PRO A 3 -0.552 4.588 -6.481 1.00 65.11 H ATOM 31 HB2 PRO A 3 -0.233 7.173 -7.246 1.00 0.22 H ATOM 32 HB3 PRO A 3 -1.657 6.599 -6.370 1.00 2.12 H ATOM 33 HG2 PRO A 3 0.763 8.020 -5.327 1.00 51.44 H ATOM 34 HG3 PRO A 3 -0.945 8.281 -4.930 1.00 35.44 H ATOM 35 HD2 PRO A 3 0.725 6.875 -3.329 1.00 23.54 H ATOM 36 HD3 PRO A 3 -1.005 6.502 -3.464 1.00 52.34 H ATOM 37 N PRO A 4 1.361 5.117 -8.176 1.00 63.45 N ATOM 38 CA PRO A 4 2.555 5.044 -9.024 1.00 51.14 C ATOM 39 C PRO A 4 3.245 6.396 -9.171 1.00 53.11 C ATOM 40 O PRO A 4 4.466 6.469 -9.312 1.00 11.34 O ATOM 41 CB PRO A 4 2.004 4.576 -10.374 1.00 33.15 C ATOM 42 CG PRO A 4 0.581 5.019 -10.376 1.00 23.21 C ATOM 43 CD PRO A 4 0.120 4.936 -8.947 1.00 54.52 C ATOM 44 HA PRO A 4 3.263 4.319 -8.652 1.00 20.45 H ATOM 45 HB2 PRO A 4 2.564 5.038 -11.174 1.00 52.41 H ATOM 46 HB3 PRO A 4 2.083 3.502 -10.445 1.00 75.44 H ATOM 47 HG2 PRO A 4 0.514 6.035 -10.734 1.00 34.30 H ATOM 48 HG3 PRO A 4 -0.007 4.360 -10.998 1.00 3.21 H ATOM 49 HD2 PRO A 4 -0.586 5.726 -8.732 1.00 65.34 H ATOM 50 HD3 PRO A 4 -0.320 3.970 -8.748 1.00 14.41 H ATOM 51 N HIS A 5 2.455 7.465 -9.137 1.00 41.02 N ATOM 52 CA HIS A 5 2.991 8.816 -9.265 1.00 72.43 C ATOM 53 C HIS A 5 2.687 9.641 -8.019 1.00 3.04 C ATOM 54 O HIS A 5 1.730 9.381 -7.290 1.00 74.40 O ATOM 55 CB HIS A 5 2.408 9.503 -10.501 1.00 23.14 C ATOM 56 CG HIS A 5 0.957 9.207 -10.722 1.00 12.41 C ATOM 57 ND1 HIS A 5 -0.047 9.739 -9.940 1.00 72.41 N ATOM 58 CD2 HIS A 5 0.342 8.432 -11.645 1.00 60.32 C ATOM 59 CE1 HIS A 5 -1.217 9.301 -10.372 1.00 5.03 C ATOM 60 NE2 HIS A 5 -1.008 8.507 -11.406 1.00 71.51 N ATOM 61 H HIS A 5 1.490 7.342 -9.023 1.00 12.42 H ATOM 62 HA HIS A 5 4.062 8.738 -9.379 1.00 15.24 H ATOM 63 HB2 HIS A 5 2.516 10.572 -10.394 1.00 11.33 H ATOM 64 HB3 HIS A 5 2.951 9.177 -11.376 1.00 24.10 H ATOM 65 HD1 HIS A 5 0.079 10.345 -9.181 1.00 31.52 H ATOM 66 HD2 HIS A 5 0.823 7.859 -12.426 1.00 5.03 H ATOM 67 HE1 HIS A 5 -2.179 9.550 -9.952 1.00 13.45 H ATOM 68 N PRO A 6 3.522 10.660 -7.765 1.00 54.35 N ATOM 69 CA PRO A 6 3.363 11.544 -6.607 1.00 12.22 C ATOM 70 C PRO A 6 2.140 12.447 -6.730 1.00 1.12 C ATOM 71 O PRO A 6 1.769 13.140 -5.782 1.00 23.52 O ATOM 72 CB PRO A 6 4.646 12.378 -6.618 1.00 65.02 C ATOM 73 CG PRO A 6 5.093 12.366 -8.039 1.00 42.43 C ATOM 74 CD PRO A 6 4.684 11.029 -8.591 1.00 71.21 C ATOM 75 HA PRO A 6 3.304 10.984 -5.685 1.00 73.33 H ATOM 76 HB2 PRO A 6 4.430 13.381 -6.279 1.00 51.43 H ATOM 77 HB3 PRO A 6 5.381 11.924 -5.970 1.00 73.21 H ATOM 78 HG2 PRO A 6 4.607 13.161 -8.584 1.00 12.43 H ATOM 79 HG3 PRO A 6 6.166 12.479 -8.087 1.00 63.43 H ATOM 80 HD2 PRO A 6 4.406 11.119 -9.631 1.00 35.43 H ATOM 81 HD3 PRO A 6 5.483 10.311 -8.473 1.00 53.51 H ATOM 82 N VAL A 7 1.517 12.435 -7.904 1.00 34.33 N ATOM 83 CA VAL A 7 0.334 13.251 -8.150 1.00 1.41 C ATOM 84 C VAL A 7 -0.908 12.383 -8.321 1.00 5.45 C ATOM 85 O VAL A 7 -1.380 12.144 -9.432 1.00 14.52 O ATOM 86 CB VAL A 7 0.509 14.129 -9.403 1.00 45.43 C ATOM 87 CG1 VAL A 7 -0.737 14.966 -9.648 1.00 71.22 C ATOM 88 CG2 VAL A 7 1.738 15.016 -9.264 1.00 53.15 C ATOM 89 H VAL A 7 1.860 11.862 -8.621 1.00 74.00 H ATOM 90 HA VAL A 7 0.193 13.901 -7.298 1.00 65.20 H ATOM 91 HB VAL A 7 0.654 13.481 -10.255 1.00 30.11 H ATOM 92 HG11 VAL A 7 -1.458 14.775 -8.866 1.00 64.24 H ATOM 93 HG12 VAL A 7 -0.474 16.013 -9.649 1.00 2.40 H ATOM 94 HG13 VAL A 7 -1.166 14.701 -10.604 1.00 3.32 H ATOM 95 HG21 VAL A 7 1.595 15.922 -9.834 1.00 55.03 H ATOM 96 HG22 VAL A 7 1.886 15.264 -8.224 1.00 50.01 H ATOM 97 HG23 VAL A 7 2.606 14.491 -9.636 1.00 74.33 H ATOM 98 N PRO A 8 -1.450 11.899 -7.194 1.00 13.35 N ATOM 99 CA PRO A 8 -2.646 11.051 -7.192 1.00 24.33 C ATOM 100 C PRO A 8 -3.903 11.819 -7.583 1.00 40.33 C ATOM 101 O PRO A 8 -3.829 12.965 -8.026 1.00 34.12 O ATOM 102 CB PRO A 8 -2.740 10.575 -5.740 1.00 33.50 C ATOM 103 CG PRO A 8 -2.040 11.626 -4.950 1.00 61.31 C ATOM 104 CD PRO A 8 -0.939 12.144 -5.834 1.00 74.33 C ATOM 105 HA PRO A 8 -2.528 10.198 -7.845 1.00 10.41 H ATOM 106 HB2 PRO A 8 -3.779 10.490 -5.453 1.00 52.13 H ATOM 107 HB3 PRO A 8 -2.254 9.616 -5.639 1.00 72.23 H ATOM 108 HG2 PRO A 8 -2.728 12.420 -4.704 1.00 32.32 H ATOM 109 HG3 PRO A 8 -1.626 11.194 -4.051 1.00 63.20 H ATOM 110 HD2 PRO A 8 -0.784 13.199 -5.665 1.00 20.25 H ATOM 111 HD3 PRO A 8 -0.026 11.593 -5.662 1.00 12.33 H ATOM 112 N GLY A 9 -5.057 11.181 -7.417 1.00 35.01 N ATOM 113 CA GLY A 9 -6.315 11.821 -7.758 1.00 23.24 C ATOM 114 C GLY A 9 -6.741 12.848 -6.727 1.00 63.51 C ATOM 115 O GLY A 9 -5.940 13.680 -6.303 1.00 2.00 O ATOM 116 H GLY A 9 -5.055 10.268 -7.060 1.00 14.11 H ATOM 117 HA2 GLY A 9 -6.210 12.309 -8.715 1.00 62.21 H ATOM 118 HA3 GLY A 9 -7.082 11.064 -7.833 1.00 23.12 H ATOM 119 N MET A 10 -8.006 12.790 -6.325 1.00 30.13 N ATOM 120 CA MET A 10 -8.537 13.723 -5.338 1.00 21.14 C ATOM 121 C MET A 10 -7.818 13.568 -4.001 1.00 73.41 C ATOM 122 O MET A 10 -6.987 14.398 -3.632 1.00 22.52 O ATOM 123 CB MET A 10 -10.039 13.501 -5.151 1.00 51.31 C ATOM 124 CG MET A 10 -10.899 14.505 -5.901 1.00 53.24 C ATOM 125 SD MET A 10 -12.291 15.098 -4.920 1.00 5.52 S ATOM 126 CE MET A 10 -12.764 16.555 -5.849 1.00 21.30 C ATOM 127 H MET A 10 -8.597 12.103 -6.699 1.00 40.52 H ATOM 128 HA MET A 10 -8.373 14.724 -5.707 1.00 10.11 H ATOM 129 HB2 MET A 10 -10.291 12.511 -5.501 1.00 11.42 H ATOM 130 HB3 MET A 10 -10.274 13.574 -4.100 1.00 32.13 H ATOM 131 HG2 MET A 10 -10.286 15.350 -6.177 1.00 51.21 H ATOM 132 HG3 MET A 10 -11.281 14.034 -6.795 1.00 32.22 H ATOM 133 HE1 MET A 10 -13.268 16.254 -6.756 1.00 14.30 H ATOM 134 HE2 MET A 10 -13.428 17.163 -5.252 1.00 63.43 H ATOM 135 HE3 MET A 10 -11.881 17.124 -6.099 1.00 52.32 H ATOM 136 N HIS A 11 -8.144 12.500 -3.280 1.00 33.25 N ATOM 137 CA HIS A 11 -7.529 12.236 -1.984 1.00 11.04 C ATOM 138 C HIS A 11 -6.063 11.846 -2.147 1.00 73.33 C ATOM 139 O HIS A 11 -5.749 10.721 -2.538 1.00 0.21 O ATOM 140 CB HIS A 11 -8.286 11.127 -1.253 1.00 22.35 C ATOM 141 CG HIS A 11 -9.773 11.301 -1.275 1.00 32.11 C ATOM 142 ND1 HIS A 11 -10.452 12.090 -0.370 1.00 72.34 N ATOM 143 CD2 HIS A 11 -10.713 10.784 -2.101 1.00 22.13 C ATOM 144 CE1 HIS A 11 -11.745 12.049 -0.638 1.00 33.12 C ATOM 145 NE2 HIS A 11 -11.930 11.264 -1.684 1.00 20.33 N ATOM 146 H HIS A 11 -8.814 11.875 -3.627 1.00 63.41 H ATOM 147 HA HIS A 11 -7.584 13.142 -1.400 1.00 12.32 H ATOM 148 HB2 HIS A 11 -8.056 10.178 -1.715 1.00 54.24 H ATOM 149 HB3 HIS A 11 -7.969 11.104 -0.220 1.00 30.33 H ATOM 150 HD1 HIS A 11 -10.047 12.602 0.360 1.00 61.43 H ATOM 151 HD2 HIS A 11 -10.538 10.117 -2.934 1.00 34.15 H ATOM 152 HE1 HIS A 11 -12.520 12.569 -0.095 1.00 10.13 H ATOM 153 N LYS A 12 -5.170 12.782 -1.847 1.00 23.02 N ATOM 154 CA LYS A 12 -3.737 12.537 -1.960 1.00 2.12 C ATOM 155 C LYS A 12 -3.237 11.684 -0.798 1.00 13.31 C ATOM 156 O LYS A 12 -2.114 11.181 -0.822 1.00 61.41 O ATOM 157 CB LYS A 12 -2.973 13.863 -1.998 1.00 74.12 C ATOM 158 CG LYS A 12 -1.468 13.695 -2.114 1.00 73.14 C ATOM 159 CD LYS A 12 -0.798 14.979 -2.574 1.00 23.25 C ATOM 160 CE LYS A 12 0.250 15.448 -1.576 1.00 22.01 C ATOM 161 NZ LYS A 12 1.517 14.675 -1.697 1.00 71.51 N ATOM 162 H LYS A 12 -5.482 13.660 -1.540 1.00 62.34 H ATOM 163 HA LYS A 12 -3.563 12.004 -2.882 1.00 41.44 H ATOM 164 HB2 LYS A 12 -3.317 14.438 -2.845 1.00 60.14 H ATOM 165 HB3 LYS A 12 -3.184 14.412 -1.092 1.00 12.21 H ATOM 166 HG2 LYS A 12 -1.070 13.419 -1.149 1.00 52.02 H ATOM 167 HG3 LYS A 12 -1.257 12.913 -2.830 1.00 43.10 H ATOM 168 HD2 LYS A 12 -0.319 14.804 -3.526 1.00 0.44 H ATOM 169 HD3 LYS A 12 -1.549 15.748 -2.682 1.00 11.31 H ATOM 170 HE2 LYS A 12 0.457 16.492 -1.755 1.00 63.22 H ATOM 171 HE3 LYS A 12 -0.142 15.325 -0.577 1.00 55.42 H ATOM 172 HZ1 LYS A 12 2.223 15.038 -1.026 1.00 45.03 H ATOM 173 HZ2 LYS A 12 1.895 14.758 -2.662 1.00 44.43 H ATOM 174 HZ3 LYS A 12 1.343 13.670 -1.491 1.00 44.12 H ATOM 175 N CYS A 13 -4.079 11.525 0.218 1.00 71.02 N ATOM 176 CA CYS A 13 -3.724 10.732 1.389 1.00 51.33 C ATOM 177 C CYS A 13 -4.218 9.296 1.243 1.00 31.23 C ATOM 178 O CYS A 13 -4.594 8.654 2.225 1.00 42.53 O ATOM 179 CB CYS A 13 -4.313 11.360 2.653 1.00 13.24 C ATOM 180 SG CYS A 13 -3.450 12.866 3.207 1.00 35.02 S ATOM 181 H CYS A 13 -4.962 11.952 0.179 1.00 24.54 H ATOM 182 HA CYS A 13 -2.648 10.723 1.470 1.00 41.23 H ATOM 183 HB2 CYS A 13 -5.345 11.623 2.469 1.00 62.14 H ATOM 184 HB3 CYS A 13 -4.269 10.641 3.458 1.00 71.35 H ATOM 185 N VAL A 14 -4.214 8.796 0.011 1.00 14.43 N ATOM 186 CA VAL A 14 -4.660 7.436 -0.263 1.00 74.24 C ATOM 187 C VAL A 14 -3.792 6.415 0.463 1.00 3.44 C ATOM 188 O VAL A 14 -4.298 5.459 1.051 1.00 1.12 O ATOM 189 CB VAL A 14 -4.637 7.131 -1.773 1.00 44.41 C ATOM 190 CG1 VAL A 14 -3.262 7.425 -2.355 1.00 73.35 C ATOM 191 CG2 VAL A 14 -5.037 5.687 -2.031 1.00 61.33 C ATOM 192 H VAL A 14 -3.903 9.356 -0.730 1.00 55.43 H ATOM 193 HA VAL A 14 -5.678 7.341 0.086 1.00 55.25 H ATOM 194 HB VAL A 14 -5.354 7.774 -2.261 1.00 14.52 H ATOM 195 HG11 VAL A 14 -3.371 7.804 -3.361 1.00 14.21 H ATOM 196 HG12 VAL A 14 -2.761 8.161 -1.744 1.00 33.42 H ATOM 197 HG13 VAL A 14 -2.679 6.516 -2.376 1.00 60.21 H ATOM 198 HG21 VAL A 14 -6.029 5.512 -1.642 1.00 4.34 H ATOM 199 HG22 VAL A 14 -5.028 5.496 -3.094 1.00 53.11 H ATOM 200 HG23 VAL A 14 -4.337 5.026 -1.542 1.00 25.55 H ATOM 201 N CYS A 15 -2.480 6.625 0.420 1.00 53.21 N ATOM 202 CA CYS A 15 -1.539 5.724 1.074 1.00 11.31 C ATOM 203 C CYS A 15 -1.626 5.856 2.592 1.00 62.20 C ATOM 204 O CYS A 15 -1.012 5.083 3.329 1.00 0.23 O ATOM 205 CB CYS A 15 -0.112 6.017 0.607 1.00 70.45 C ATOM 206 SG CYS A 15 1.047 4.631 0.844 1.00 53.00 S ATOM 207 H CYS A 15 -2.136 7.406 -0.065 1.00 33.43 H ATOM 208 HA CYS A 15 -1.799 4.714 0.797 1.00 15.13 H ATOM 209 HB2 CYS A 15 -0.128 6.253 -0.447 1.00 52.25 H ATOM 210 HB3 CYS A 15 0.272 6.864 1.155 1.00 53.45 H ATOM 211 N LEU A 16 -2.392 6.839 3.052 1.00 22.32 N ATOM 212 CA LEU A 16 -2.560 7.072 4.482 1.00 1.23 C ATOM 213 C LEU A 16 -3.875 7.791 4.766 1.00 71.31 C ATOM 214 O LEU A 16 -3.886 8.912 5.275 1.00 22.41 O ATOM 215 CB LEU A 16 -1.389 7.893 5.026 1.00 14.31 C ATOM 216 CG LEU A 16 -1.198 9.279 4.409 1.00 1.21 C ATOM 217 CD1 LEU A 16 -0.681 10.260 5.450 1.00 11.10 C ATOM 218 CD2 LEU A 16 -0.248 9.208 3.223 1.00 43.04 C ATOM 219 H LEU A 16 -2.856 7.422 2.416 1.00 23.32 H ATOM 220 HA LEU A 16 -2.575 6.111 4.975 1.00 1.52 H ATOM 221 HB2 LEU A 16 -1.540 8.022 6.087 1.00 74.12 H ATOM 222 HB3 LEU A 16 -0.484 7.327 4.859 1.00 2.51 H ATOM 223 HG LEU A 16 -2.152 9.643 4.053 1.00 30.13 H ATOM 224 HD11 LEU A 16 -1.450 10.442 6.186 1.00 44.23 H ATOM 225 HD12 LEU A 16 -0.416 11.190 4.968 1.00 32.33 H ATOM 226 HD13 LEU A 16 0.191 9.845 5.934 1.00 32.12 H ATOM 227 HD21 LEU A 16 0.596 8.583 3.474 1.00 1.01 H ATOM 228 HD22 LEU A 16 0.099 10.202 2.980 1.00 63.41 H ATOM 229 HD23 LEU A 16 -0.766 8.790 2.371 1.00 24.14 H ATOM 230 N LYS A 17 -4.984 7.137 4.435 1.00 44.22 N ATOM 231 CA LYS A 17 -6.306 7.711 4.656 1.00 23.25 C ATOM 232 C LYS A 17 -6.413 8.306 6.057 1.00 44.22 C ATOM 233 O LYS A 17 -7.211 9.212 6.299 1.00 72.03 O ATOM 234 CB LYS A 17 -7.386 6.645 4.460 1.00 31.01 C ATOM 235 CG LYS A 17 -7.231 5.445 5.378 1.00 1.03 C ATOM 236 CD LYS A 17 -8.473 5.227 6.226 1.00 72.24 C ATOM 237 CE LYS A 17 -8.293 4.065 7.190 1.00 22.22 C ATOM 238 NZ LYS A 17 -9.184 4.186 8.377 1.00 21.13 N ATOM 239 H LYS A 17 -4.911 6.246 4.032 1.00 3.00 H ATOM 240 HA LYS A 17 -6.452 8.497 3.932 1.00 42.32 H ATOM 241 HB2 LYS A 17 -8.352 7.091 4.645 1.00 74.33 H ATOM 242 HB3 LYS A 17 -7.349 6.297 3.438 1.00 74.42 H ATOM 243 HG2 LYS A 17 -7.058 4.564 4.778 1.00 33.14 H ATOM 244 HG3 LYS A 17 -6.385 5.610 6.031 1.00 73.20 H ATOM 245 HD2 LYS A 17 -8.673 6.123 6.793 1.00 14.34 H ATOM 246 HD3 LYS A 17 -9.310 5.016 5.574 1.00 0.55 H ATOM 247 HE2 LYS A 17 -8.520 3.146 6.673 1.00 72.44 H ATOM 248 HE3 LYS A 17 -7.265 4.046 7.522 1.00 13.13 H ATOM 249 HZ1 LYS A 17 -9.945 3.479 8.327 1.00 41.13 H ATOM 250 HZ2 LYS A 17 -9.608 5.135 8.410 1.00 50.12 H ATOM 251 HZ3 LYS A 17 -8.640 4.032 9.250 1.00 44.02 H ATOM 252 N THR A 18 -5.602 7.793 6.977 1.00 60.31 N ATOM 253 CA THR A 18 -5.605 8.274 8.353 1.00 74.34 C ATOM 254 C THR A 18 -4.791 9.555 8.489 1.00 10.11 C ATOM 255 O THR A 18 -4.187 9.811 9.531 1.00 22.01 O ATOM 256 CB THR A 18 -5.042 7.215 9.319 1.00 5.23 C ATOM 257 OG1 THR A 18 -5.313 7.594 10.673 1.00 3.32 O ATOM 258 CG2 THR A 18 -3.542 7.049 9.125 1.00 70.34 C ATOM 259 H THR A 18 -4.988 7.073 6.723 1.00 61.51 H ATOM 260 HA THR A 18 -6.629 8.477 8.632 1.00 1.42 H ATOM 261 HB THR A 18 -5.523 6.270 9.115 1.00 74.24 H ATOM 262 HG1 THR A 18 -4.883 8.432 10.863 1.00 23.45 H ATOM 263 HG21 THR A 18 -3.247 7.509 8.194 1.00 50.51 H ATOM 264 HG22 THR A 18 -3.297 5.997 9.099 1.00 42.22 H ATOM 265 HG23 THR A 18 -3.018 7.521 9.942 1.00 33.13 H ATOM 266 N CYS A 19 -4.779 10.359 7.431 1.00 71.42 N ATOM 267 CA CYS A 19 -4.039 11.615 7.432 1.00 71.41 C ATOM 268 C CYS A 19 -4.358 12.433 8.680 1.00 71.21 C ATOM 269 O CYS A 19 -3.510 12.602 9.556 1.00 10.21 O ATOM 270 CB CYS A 19 -4.370 12.427 6.178 1.00 23.31 C ATOM 271 SG CYS A 19 -2.935 12.755 5.105 1.00 4.21 S ATOM 272 H CYS A 19 -5.281 10.100 6.628 1.00 5.22 H ATOM 273 HA CYS A 19 -2.986 11.379 7.430 1.00 3.34 H ATOM 274 HB2 CYS A 19 -5.100 11.888 5.592 1.00 14.11 H ATOM 275 HB3 CYS A 19 -4.784 13.379 6.474 1.00 34.21 H TER 276 CYS A 19 ENDMDL MODEL 15 ATOM 1 N ASP A 1 -1.697 1.204 0.383 1.00 11.04 N ATOM 2 CA ASP A 1 -0.967 1.026 -0.866 1.00 71.43 C ATOM 3 C ASP A 1 -0.827 2.351 -1.608 1.00 54.30 C ATOM 4 O ASP A 1 -1.822 2.981 -1.969 1.00 73.45 O ATOM 5 CB ASP A 1 -1.676 0.002 -1.755 1.00 14.35 C ATOM 6 CG ASP A 1 -3.147 0.320 -1.943 1.00 22.31 C ATOM 7 OD1 ASP A 1 -3.471 1.115 -2.850 1.00 10.12 O ATOM 8 OD2 ASP A 1 -3.974 -0.228 -1.184 1.00 45.22 O ATOM 9 H1 ASP A 1 -1.200 1.416 1.201 1.00 13.34 H ATOM 10 HA ASP A 1 0.018 0.657 -0.625 1.00 5.10 H ATOM 11 HB2 ASP A 1 -1.203 -0.011 -2.726 1.00 32.54 H ATOM 12 HB3 ASP A 1 -1.592 -0.976 -1.304 1.00 13.43 H ATOM 13 N CYS A 2 0.414 2.771 -1.831 1.00 34.20 N ATOM 14 CA CYS A 2 0.685 4.022 -2.528 1.00 13.21 C ATOM 15 C CYS A 2 0.756 3.801 -4.036 1.00 74.41 C ATOM 16 O CYS A 2 1.069 2.710 -4.514 1.00 41.34 O ATOM 17 CB CYS A 2 1.995 4.634 -2.029 1.00 41.52 C ATOM 18 SG CYS A 2 2.166 4.650 -0.216 1.00 13.04 S ATOM 19 H CYS A 2 1.166 2.225 -1.519 1.00 5.24 H ATOM 20 HA CYS A 2 -0.125 4.703 -2.314 1.00 41.34 H ATOM 21 HB2 CYS A 2 2.823 4.069 -2.431 1.00 44.44 H ATOM 22 HB3 CYS A 2 2.061 5.655 -2.375 1.00 41.40 H ATOM 23 N PRO A 3 0.458 4.859 -4.804 1.00 54.02 N ATOM 24 CA PRO A 3 0.481 4.806 -6.269 1.00 22.20 C ATOM 25 C PRO A 3 1.897 4.679 -6.822 1.00 14.32 C ATOM 26 O PRO A 3 2.885 4.858 -6.110 1.00 42.20 O ATOM 27 CB PRO A 3 -0.137 6.144 -6.682 1.00 61.25 C ATOM 28 CG PRO A 3 0.124 7.053 -5.532 1.00 10.32 C ATOM 29 CD PRO A 3 0.075 6.189 -4.302 1.00 4.41 C ATOM 30 HA PRO A 3 -0.125 3.995 -6.646 1.00 52.33 H ATOM 31 HB2 PRO A 3 0.340 6.500 -7.585 1.00 22.12 H ATOM 32 HB3 PRO A 3 -1.195 6.018 -6.854 1.00 33.11 H ATOM 33 HG2 PRO A 3 1.099 7.505 -5.634 1.00 53.24 H ATOM 34 HG3 PRO A 3 -0.641 7.814 -5.485 1.00 40.31 H ATOM 35 HD2 PRO A 3 0.783 6.541 -3.565 1.00 55.44 H ATOM 36 HD3 PRO A 3 -0.923 6.173 -3.891 1.00 54.43 H ATOM 37 N PRO A 4 1.999 4.364 -8.121 1.00 42.15 N ATOM 38 CA PRO A 4 3.290 4.208 -8.799 1.00 31.24 C ATOM 39 C PRO A 4 4.023 5.535 -8.962 1.00 24.32 C ATOM 40 O PRO A 4 5.211 5.641 -8.655 1.00 23.11 O ATOM 41 CB PRO A 4 2.906 3.637 -10.166 1.00 42.22 C ATOM 42 CG PRO A 4 1.506 4.096 -10.389 1.00 24.33 C ATOM 43 CD PRO A 4 0.863 4.137 -9.030 1.00 61.52 C ATOM 44 HA PRO A 4 3.928 3.507 -8.280 1.00 74.22 H ATOM 45 HB2 PRO A 4 3.575 4.026 -10.922 1.00 31.44 H ATOM 46 HB3 PRO A 4 2.969 2.560 -10.141 1.00 62.23 H ATOM 47 HG2 PRO A 4 1.508 5.080 -10.832 1.00 63.45 H ATOM 48 HG3 PRO A 4 0.988 3.396 -11.027 1.00 63.53 H ATOM 49 HD2 PRO A 4 0.154 4.949 -8.973 1.00 3.35 H ATOM 50 HD3 PRO A 4 0.379 3.195 -8.813 1.00 44.53 H ATOM 51 N HIS A 5 3.308 6.545 -9.446 1.00 44.25 N ATOM 52 CA HIS A 5 3.892 7.866 -9.649 1.00 50.53 C ATOM 53 C HIS A 5 3.244 8.894 -8.727 1.00 14.23 C ATOM 54 O HIS A 5 2.118 8.722 -8.259 1.00 72.31 O ATOM 55 CB HIS A 5 3.732 8.300 -11.107 1.00 32.31 C ATOM 56 CG HIS A 5 2.397 7.953 -11.692 1.00 2.15 C ATOM 57 ND1 HIS A 5 1.247 8.662 -11.414 1.00 61.52 N ATOM 58 CD2 HIS A 5 2.033 6.967 -12.545 1.00 4.24 C ATOM 59 CE1 HIS A 5 0.233 8.125 -12.070 1.00 4.30 C ATOM 60 NE2 HIS A 5 0.684 7.096 -12.764 1.00 30.21 N ATOM 61 H HIS A 5 2.366 6.399 -9.672 1.00 64.35 H ATOM 62 HA HIS A 5 4.944 7.804 -9.415 1.00 72.00 H ATOM 63 HB2 HIS A 5 3.854 9.371 -11.173 1.00 21.34 H ATOM 64 HB3 HIS A 5 4.492 7.818 -11.705 1.00 21.24 H ATOM 65 HD1 HIS A 5 1.183 9.440 -10.823 1.00 43.23 H ATOM 66 HD2 HIS A 5 2.683 6.217 -12.974 1.00 5.34 H ATOM 67 HE1 HIS A 5 -0.790 8.470 -12.044 1.00 65.21 H ATOM 68 N PRO A 6 3.970 9.989 -8.457 1.00 14.33 N ATOM 69 CA PRO A 6 3.485 11.066 -7.588 1.00 21.12 C ATOM 70 C PRO A 6 2.348 11.857 -8.225 1.00 12.34 C ATOM 71 O PRO A 6 2.557 12.951 -8.750 1.00 61.32 O ATOM 72 CB PRO A 6 4.718 11.955 -7.404 1.00 35.24 C ATOM 73 CG PRO A 6 5.552 11.700 -8.611 1.00 42.11 C ATOM 74 CD PRO A 6 5.319 10.261 -8.979 1.00 62.04 C ATOM 75 HA PRO A 6 3.165 10.687 -6.628 1.00 4.51 H ATOM 76 HB2 PRO A 6 4.412 12.990 -7.345 1.00 1.14 H ATOM 77 HB3 PRO A 6 5.236 11.675 -6.499 1.00 61.42 H ATOM 78 HG2 PRO A 6 5.241 12.348 -9.416 1.00 1.40 H ATOM 79 HG3 PRO A 6 6.594 11.863 -8.378 1.00 20.24 H ATOM 80 HD2 PRO A 6 5.350 10.136 -10.052 1.00 12.23 H ATOM 81 HD3 PRO A 6 6.051 9.626 -8.503 1.00 5.12 H ATOM 82 N VAL A 7 1.143 11.298 -8.174 1.00 12.24 N ATOM 83 CA VAL A 7 -0.028 11.953 -8.744 1.00 74.22 C ATOM 84 C VAL A 7 -1.295 11.569 -7.988 1.00 53.11 C ATOM 85 O VAL A 7 -2.095 10.751 -8.442 1.00 32.40 O ATOM 86 CB VAL A 7 -0.203 11.594 -10.232 1.00 20.21 C ATOM 87 CG1 VAL A 7 -1.435 12.278 -10.805 1.00 64.24 C ATOM 88 CG2 VAL A 7 1.042 11.971 -11.020 1.00 42.02 C ATOM 89 H VAL A 7 1.039 10.425 -7.741 1.00 60.03 H ATOM 90 HA VAL A 7 0.116 13.021 -8.668 1.00 35.22 H ATOM 91 HB VAL A 7 -0.343 10.526 -10.310 1.00 23.44 H ATOM 92 HG11 VAL A 7 -1.895 12.889 -10.043 1.00 24.24 H ATOM 93 HG12 VAL A 7 -1.146 12.899 -11.641 1.00 22.14 H ATOM 94 HG13 VAL A 7 -2.139 11.530 -11.139 1.00 62.31 H ATOM 95 HG21 VAL A 7 0.832 11.910 -12.077 1.00 73.24 H ATOM 96 HG22 VAL A 7 1.335 12.979 -10.769 1.00 12.55 H ATOM 97 HG23 VAL A 7 1.845 11.291 -10.773 1.00 51.32 H ATOM 98 N PRO A 8 -1.485 12.174 -6.806 1.00 21.11 N ATOM 99 CA PRO A 8 -2.654 11.912 -5.961 1.00 51.23 C ATOM 100 C PRO A 8 -3.940 12.469 -6.563 1.00 30.30 C ATOM 101 O PRO A 8 -3.959 12.912 -7.710 1.00 41.13 O ATOM 102 CB PRO A 8 -2.318 12.636 -4.655 1.00 45.55 C ATOM 103 CG PRO A 8 -1.368 13.713 -5.053 1.00 53.54 C ATOM 104 CD PRO A 8 -0.573 13.160 -6.203 1.00 44.21 C ATOM 105 HA PRO A 8 -2.776 10.856 -5.768 1.00 43.43 H ATOM 106 HB2 PRO A 8 -3.221 13.044 -4.224 1.00 41.30 H ATOM 107 HB3 PRO A 8 -1.862 11.945 -3.963 1.00 62.21 H ATOM 108 HG2 PRO A 8 -1.916 14.590 -5.364 1.00 34.11 H ATOM 109 HG3 PRO A 8 -0.716 13.951 -4.226 1.00 64.13 H ATOM 110 HD2 PRO A 8 -0.332 13.943 -6.907 1.00 3.23 H ATOM 111 HD3 PRO A 8 0.327 12.683 -5.844 1.00 63.11 H ATOM 112 N GLY A 9 -5.014 12.442 -5.780 1.00 13.42 N ATOM 113 CA GLY A 9 -6.290 12.948 -6.253 1.00 62.41 C ATOM 114 C GLY A 9 -6.936 13.903 -5.270 1.00 1.13 C ATOM 115 O GLY A 9 -6.262 14.749 -4.683 1.00 13.43 O ATOM 116 H GLY A 9 -4.940 12.077 -4.873 1.00 71.04 H ATOM 117 HA2 GLY A 9 -6.136 13.461 -7.190 1.00 42.43 H ATOM 118 HA3 GLY A 9 -6.956 12.113 -6.417 1.00 0.21 H ATOM 119 N MET A 10 -8.246 13.769 -5.091 1.00 0.23 N ATOM 120 CA MET A 10 -8.983 14.629 -4.172 1.00 31.45 C ATOM 121 C MET A 10 -8.327 14.642 -2.795 1.00 25.23 C ATOM 122 O MET A 10 -8.403 15.634 -2.069 1.00 30.30 O ATOM 123 CB MET A 10 -10.434 14.159 -4.053 1.00 32.20 C ATOM 124 CG MET A 10 -10.572 12.662 -3.828 1.00 61.21 C ATOM 125 SD MET A 10 -11.308 11.812 -5.238 1.00 15.52 S ATOM 126 CE MET A 10 -13.039 12.214 -5.009 1.00 1.14 C ATOM 127 H MET A 10 -8.729 13.076 -5.587 1.00 61.23 H ATOM 128 HA MET A 10 -8.970 15.631 -4.573 1.00 73.31 H ATOM 129 HB2 MET A 10 -10.899 14.670 -3.223 1.00 60.02 H ATOM 130 HB3 MET A 10 -10.958 14.414 -4.962 1.00 35.31 H ATOM 131 HG2 MET A 10 -9.592 12.246 -3.648 1.00 45.24 H ATOM 132 HG3 MET A 10 -11.194 12.498 -2.961 1.00 12.22 H ATOM 133 HE1 MET A 10 -13.441 11.623 -4.199 1.00 0.05 H ATOM 134 HE2 MET A 10 -13.137 13.263 -4.772 1.00 2.22 H ATOM 135 HE3 MET A 10 -13.582 11.998 -5.917 1.00 24.32 H ATOM 136 N HIS A 11 -7.682 13.535 -2.441 1.00 23.52 N ATOM 137 CA HIS A 11 -7.011 13.420 -1.150 1.00 75.54 C ATOM 138 C HIS A 11 -5.589 12.896 -1.322 1.00 63.10 C ATOM 139 O HIS A 11 -5.381 11.734 -1.674 1.00 13.51 O ATOM 140 CB HIS A 11 -7.800 12.494 -0.223 1.00 64.23 C ATOM 141 CG HIS A 11 -9.270 12.779 -0.201 1.00 2.04 C ATOM 142 ND1 HIS A 11 -9.795 13.993 0.189 1.00 40.13 N ATOM 143 CD2 HIS A 11 -10.328 11.999 -0.524 1.00 1.32 C ATOM 144 CE1 HIS A 11 -11.113 13.947 0.106 1.00 44.33 C ATOM 145 NE2 HIS A 11 -11.462 12.748 -0.325 1.00 4.33 N ATOM 146 H HIS A 11 -7.656 12.778 -3.062 1.00 62.52 H ATOM 147 HA HIS A 11 -6.969 14.404 -0.710 1.00 44.11 H ATOM 148 HB2 HIS A 11 -7.665 11.472 -0.547 1.00 14.14 H ATOM 149 HB3 HIS A 11 -7.425 12.600 0.785 1.00 64.24 H ATOM 150 HD1 HIS A 11 -9.279 14.772 0.484 1.00 62.35 H ATOM 151 HD2 HIS A 11 -10.289 10.977 -0.873 1.00 61.12 H ATOM 152 HE1 HIS A 11 -11.790 14.753 0.348 1.00 61.43 H ATOM 153 N LYS A 12 -4.611 13.760 -1.072 1.00 12.41 N ATOM 154 CA LYS A 12 -3.208 13.386 -1.198 1.00 5.42 C ATOM 155 C LYS A 12 -2.835 12.320 -0.173 1.00 5.22 C ATOM 156 O LYS A 12 -1.793 11.673 -0.286 1.00 71.10 O ATOM 157 CB LYS A 12 -2.313 14.615 -1.020 1.00 0.22 C ATOM 158 CG LYS A 12 -2.312 15.546 -2.220 1.00 65.45 C ATOM 159 CD LYS A 12 -2.382 17.003 -1.797 1.00 12.03 C ATOM 160 CE LYS A 12 -1.458 17.873 -2.635 1.00 21.30 C ATOM 161 NZ LYS A 12 -1.730 19.323 -2.437 1.00 54.30 N ATOM 162 H LYS A 12 -4.840 14.673 -0.795 1.00 24.13 H ATOM 163 HA LYS A 12 -3.059 12.984 -2.188 1.00 60.14 H ATOM 164 HB2 LYS A 12 -2.654 15.172 -0.159 1.00 42.15 H ATOM 165 HB3 LYS A 12 -1.299 14.285 -0.846 1.00 1.15 H ATOM 166 HG2 LYS A 12 -1.404 15.390 -2.784 1.00 61.44 H ATOM 167 HG3 LYS A 12 -3.167 15.319 -2.841 1.00 62.42 H ATOM 168 HD2 LYS A 12 -3.396 17.355 -1.917 1.00 1.34 H ATOM 169 HD3 LYS A 12 -2.092 17.081 -0.758 1.00 54.42 H ATOM 170 HE2 LYS A 12 -0.437 17.665 -2.354 1.00 1.52 H ATOM 171 HE3 LYS A 12 -1.601 17.627 -3.677 1.00 32.01 H ATOM 172 HZ1 LYS A 12 -0.870 19.877 -2.621 1.00 2.21 H ATOM 173 HZ2 LYS A 12 -2.040 19.498 -1.460 1.00 15.14 H ATOM 174 HZ3 LYS A 12 -2.478 19.638 -3.087 1.00 53.32 H ATOM 175 N CYS A 13 -3.692 12.141 0.827 1.00 44.33 N ATOM 176 CA CYS A 13 -3.453 11.153 1.872 1.00 72.14 C ATOM 177 C CYS A 13 -4.133 9.829 1.534 1.00 53.33 C ATOM 178 O CYS A 13 -4.610 9.120 2.420 1.00 63.44 O ATOM 179 CB CYS A 13 -3.962 11.671 3.218 1.00 2.03 C ATOM 180 SG CYS A 13 -2.909 12.955 3.967 1.00 43.44 S ATOM 181 H CYS A 13 -4.505 12.688 0.863 1.00 53.00 H ATOM 182 HA CYS A 13 -2.388 10.990 1.937 1.00 34.34 H ATOM 183 HB2 CYS A 13 -4.947 12.093 3.084 1.00 34.41 H ATOM 184 HB3 CYS A 13 -4.020 10.847 3.914 1.00 73.24 H ATOM 185 N VAL A 14 -4.174 9.503 0.246 1.00 54.34 N ATOM 186 CA VAL A 14 -4.794 8.265 -0.210 1.00 74.12 C ATOM 187 C VAL A 14 -4.087 7.048 0.376 1.00 51.22 C ATOM 188 O VAL A 14 -4.730 6.101 0.829 1.00 72.34 O ATOM 189 CB VAL A 14 -4.780 8.163 -1.747 1.00 32.30 C ATOM 190 CG1 VAL A 14 -3.367 8.337 -2.281 1.00 4.22 C ATOM 191 CG2 VAL A 14 -5.369 6.834 -2.198 1.00 1.35 C ATOM 192 H VAL A 14 -3.778 10.110 -0.414 1.00 25.02 H ATOM 193 HA VAL A 14 -5.823 8.265 0.120 1.00 10.22 H ATOM 194 HB VAL A 14 -5.393 8.958 -2.146 1.00 63.22 H ATOM 195 HG11 VAL A 14 -3.401 8.855 -3.228 1.00 75.44 H ATOM 196 HG12 VAL A 14 -2.784 8.912 -1.576 1.00 42.23 H ATOM 197 HG13 VAL A 14 -2.912 7.367 -2.418 1.00 43.20 H ATOM 198 HG21 VAL A 14 -4.779 6.024 -1.796 1.00 62.14 H ATOM 199 HG22 VAL A 14 -6.385 6.752 -1.840 1.00 44.04 H ATOM 200 HG23 VAL A 14 -5.362 6.784 -3.277 1.00 1.41 H ATOM 201 N CYS A 15 -2.759 7.081 0.365 1.00 63.44 N ATOM 202 CA CYS A 15 -1.962 5.981 0.895 1.00 60.11 C ATOM 203 C CYS A 15 -2.063 5.920 2.416 1.00 1.23 C ATOM 204 O CYS A 15 -1.576 4.980 3.045 1.00 62.40 O ATOM 205 CB CYS A 15 -0.499 6.135 0.476 1.00 43.14 C ATOM 206 SG CYS A 15 0.526 4.663 0.796 1.00 54.15 S ATOM 207 H CYS A 15 -2.302 7.864 -0.010 1.00 33.10 H ATOM 208 HA CYS A 15 -2.350 5.061 0.484 1.00 51.42 H ATOM 209 HB2 CYS A 15 -0.456 6.340 -0.584 1.00 43.23 H ATOM 210 HB3 CYS A 15 -0.063 6.963 1.015 1.00 50.10 H ATOM 211 N LEU A 16 -2.698 6.929 3.002 1.00 13.10 N ATOM 212 CA LEU A 16 -2.864 6.991 4.450 1.00 12.40 C ATOM 213 C LEU A 16 -4.076 7.839 4.823 1.00 11.03 C ATOM 214 O LEU A 16 -3.946 8.873 5.478 1.00 12.43 O ATOM 215 CB LEU A 16 -1.606 7.565 5.103 1.00 4.11 C ATOM 216 CG LEU A 16 -1.215 8.981 4.678 1.00 0.24 C ATOM 217 CD1 LEU A 16 -0.591 9.735 5.843 1.00 61.42 C ATOM 218 CD2 LEU A 16 -0.259 8.939 3.495 1.00 75.52 C ATOM 219 H LEU A 16 -3.065 7.650 2.449 1.00 60.53 H ATOM 220 HA LEU A 16 -3.020 5.985 4.809 1.00 25.12 H ATOM 221 HB2 LEU A 16 -1.761 7.571 6.171 1.00 2.50 H ATOM 222 HB3 LEU A 16 -0.781 6.908 4.865 1.00 74.22 H ATOM 223 HG LEU A 16 -2.103 9.517 4.373 1.00 35.40 H ATOM 224 HD11 LEU A 16 -1.347 9.940 6.585 1.00 21.34 H ATOM 225 HD12 LEU A 16 -0.174 10.665 5.487 1.00 3.11 H ATOM 226 HD13 LEU A 16 0.192 9.134 6.282 1.00 64.14 H ATOM 227 HD21 LEU A 16 -0.487 9.750 2.820 1.00 64.25 H ATOM 228 HD22 LEU A 16 -0.370 7.997 2.977 1.00 11.04 H ATOM 229 HD23 LEU A 16 0.757 9.037 3.849 1.00 54.32 H ATOM 230 N LYS A 17 -5.255 7.393 4.404 1.00 34.21 N ATOM 231 CA LYS A 17 -6.492 8.107 4.697 1.00 53.34 C ATOM 232 C LYS A 17 -6.548 8.520 6.164 1.00 51.31 C ATOM 233 O LYS A 17 -7.222 9.486 6.523 1.00 13.41 O ATOM 234 CB LYS A 17 -7.702 7.235 4.355 1.00 74.00 C ATOM 235 CG LYS A 17 -7.731 5.914 5.104 1.00 64.11 C ATOM 236 CD LYS A 17 -7.812 4.734 4.150 1.00 25.21 C ATOM 237 CE LYS A 17 -7.397 3.438 4.830 1.00 20.02 C ATOM 238 NZ LYS A 17 -5.923 3.362 5.028 1.00 10.54 N ATOM 239 H LYS A 17 -5.295 6.561 3.886 1.00 41.44 H ATOM 240 HA LYS A 17 -6.515 8.996 4.084 1.00 71.31 H ATOM 241 HB2 LYS A 17 -8.603 7.780 4.595 1.00 53.23 H ATOM 242 HB3 LYS A 17 -7.691 7.024 3.295 1.00 21.23 H ATOM 243 HG2 LYS A 17 -6.830 5.825 5.693 1.00 13.15 H ATOM 244 HG3 LYS A 17 -8.593 5.898 5.755 1.00 2.35 H ATOM 245 HD2 LYS A 17 -8.828 4.634 3.800 1.00 71.21 H ATOM 246 HD3 LYS A 17 -7.156 4.915 3.310 1.00 3.32 H ATOM 247 HE2 LYS A 17 -7.884 3.379 5.791 1.00 12.33 H ATOM 248 HE3 LYS A 17 -7.712 2.608 4.216 1.00 72.43 H ATOM 249 HZ1 LYS A 17 -5.694 2.639 5.740 1.00 54.32 H ATOM 250 HZ2 LYS A 17 -5.559 4.281 5.354 1.00 50.05 H ATOM 251 HZ3 LYS A 17 -5.455 3.114 4.134 1.00 45.01 H ATOM 252 N THR A 18 -5.834 7.783 7.009 1.00 0.42 N ATOM 253 CA THR A 18 -5.802 8.073 8.437 1.00 11.31 C ATOM 254 C THR A 18 -4.825 9.201 8.747 1.00 1.45 C ATOM 255 O THR A 18 -4.216 9.232 9.817 1.00 2.33 O ATOM 256 CB THR A 18 -5.408 6.829 9.254 1.00 21.44 C ATOM 257 OG1 THR A 18 -5.656 7.058 10.646 1.00 25.40 O ATOM 258 CG2 THR A 18 -3.941 6.486 9.045 1.00 44.01 C ATOM 259 H THR A 18 -5.317 7.026 6.663 1.00 52.44 H ATOM 260 HA THR A 18 -6.794 8.376 8.738 1.00 14.42 H ATOM 261 HB THR A 18 -6.008 5.994 8.922 1.00 32.43 H ATOM 262 HG1 THR A 18 -6.561 6.815 10.854 1.00 30.13 H ATOM 263 HG21 THR A 18 -3.376 6.771 9.920 1.00 53.52 H ATOM 264 HG22 THR A 18 -3.565 7.021 8.185 1.00 73.42 H ATOM 265 HG23 THR A 18 -3.839 5.424 8.881 1.00 21.54 H ATOM 266 N CYS A 19 -4.680 10.128 7.806 1.00 23.20 N ATOM 267 CA CYS A 19 -3.776 11.259 7.979 1.00 54.05 C ATOM 268 C CYS A 19 -4.011 11.942 9.323 1.00 44.12 C ATOM 269 O CYS A 19 -5.111 11.890 9.873 1.00 42.12 O ATOM 270 CB CYS A 19 -3.964 12.266 6.842 1.00 13.45 C ATOM 271 SG CYS A 19 -2.469 12.545 5.840 1.00 23.53 S ATOM 272 H CYS A 19 -5.193 10.049 6.974 1.00 62.23 H ATOM 273 HA CYS A 19 -2.765 10.883 7.951 1.00 1.41 H ATOM 274 HB2 CYS A 19 -4.741 11.910 6.181 1.00 44.42 H ATOM 275 HB3 CYS A 19 -4.262 13.217 7.260 1.00 74.20 H TER 276 CYS A 19 ENDMDL MODEL 16 ATOM 1 N ASP A 1 -1.414 1.125 0.027 1.00 61.42 N ATOM 2 CA ASP A 1 -0.214 1.217 -0.796 1.00 44.42 C ATOM 3 C ASP A 1 -0.210 2.509 -1.608 1.00 70.12 C ATOM 4 O ASP A 1 -1.240 2.923 -2.141 1.00 72.30 O ATOM 5 CB ASP A 1 -0.117 0.012 -1.732 1.00 63.31 C ATOM 6 CG ASP A 1 -0.396 -1.298 -1.020 1.00 43.44 C ATOM 7 OD1 ASP A 1 0.515 -1.804 -0.331 1.00 75.43 O ATOM 8 OD2 ASP A 1 -1.524 -1.815 -1.152 1.00 14.02 O ATOM 9 H1 ASP A 1 -2.098 1.824 -0.044 1.00 63.52 H ATOM 10 HA ASP A 1 0.641 1.219 -0.137 1.00 2.30 H ATOM 11 HB2 ASP A 1 -0.835 0.126 -2.531 1.00 70.51 H ATOM 12 HB3 ASP A 1 0.878 -0.031 -2.151 1.00 72.51 H ATOM 13 N CYS A 2 0.955 3.142 -1.698 1.00 13.34 N ATOM 14 CA CYS A 2 1.093 4.388 -2.443 1.00 22.42 C ATOM 15 C CYS A 2 1.161 4.119 -3.943 1.00 61.14 C ATOM 16 O CYS A 2 1.570 3.047 -4.389 1.00 64.25 O ATOM 17 CB CYS A 2 2.347 5.140 -1.991 1.00 75.11 C ATOM 18 SG CYS A 2 2.544 5.238 -0.183 1.00 32.42 S ATOM 19 H CYS A 2 1.741 2.763 -1.251 1.00 22.21 H ATOM 20 HA CYS A 2 0.225 4.996 -2.237 1.00 64.35 H ATOM 21 HB2 CYS A 2 3.219 4.642 -2.389 1.00 52.34 H ATOM 22 HB3 CYS A 2 2.309 6.149 -2.373 1.00 54.23 H ATOM 23 N PRO A 3 0.751 5.115 -4.742 1.00 53.30 N ATOM 24 CA PRO A 3 0.756 5.011 -6.204 1.00 51.22 C ATOM 25 C PRO A 3 2.168 5.000 -6.780 1.00 0.45 C ATOM 26 O PRO A 3 3.146 5.299 -6.094 1.00 30.03 O ATOM 27 CB PRO A 3 0.006 6.268 -6.652 1.00 53.10 C ATOM 28 CG PRO A 3 0.196 7.240 -5.539 1.00 21.31 C ATOM 29 CD PRO A 3 0.250 6.421 -4.279 1.00 24.40 C ATOM 30 HA PRO A 3 0.224 4.133 -6.541 1.00 44.33 H ATOM 31 HB2 PRO A 3 0.432 6.635 -7.575 1.00 51.02 H ATOM 32 HB3 PRO A 3 -1.038 6.036 -6.798 1.00 73.54 H ATOM 33 HG2 PRO A 3 1.121 7.779 -5.676 1.00 22.40 H ATOM 34 HG3 PRO A 3 -0.638 7.925 -5.504 1.00 4.30 H ATOM 35 HD2 PRO A 3 0.932 6.865 -3.569 1.00 10.10 H ATOM 36 HD3 PRO A 3 -0.736 6.324 -3.849 1.00 4.22 H ATOM 37 N PRO A 4 2.280 4.649 -8.069 1.00 72.21 N ATOM 38 CA PRO A 4 3.569 4.592 -8.765 1.00 73.22 C ATOM 39 C PRO A 4 4.168 5.976 -8.989 1.00 63.10 C ATOM 40 O PRO A 4 5.344 6.207 -8.707 1.00 5.04 O ATOM 41 CB PRO A 4 3.220 3.937 -10.104 1.00 50.22 C ATOM 42 CG PRO A 4 1.779 4.251 -10.316 1.00 1.34 C ATOM 43 CD PRO A 4 1.157 4.280 -8.947 1.00 54.41 C ATOM 44 HA PRO A 4 4.279 3.974 -8.235 1.00 0.51 H ATOM 45 HB2 PRO A 4 3.836 4.360 -10.886 1.00 21.35 H ATOM 46 HB3 PRO A 4 3.387 2.872 -10.043 1.00 12.33 H ATOM 47 HG2 PRO A 4 1.679 5.214 -10.794 1.00 23.25 H ATOM 48 HG3 PRO A 4 1.321 3.482 -10.919 1.00 72.30 H ATOM 49 HD2 PRO A 4 0.374 5.023 -8.904 1.00 51.23 H ATOM 50 HD3 PRO A 4 0.769 3.306 -8.688 1.00 42.00 H ATOM 51 N HIS A 5 3.353 6.894 -9.498 1.00 33.03 N ATOM 52 CA HIS A 5 3.803 8.257 -9.758 1.00 61.44 C ATOM 53 C HIS A 5 3.074 9.251 -8.860 1.00 1.02 C ATOM 54 O HIS A 5 1.978 8.989 -8.365 1.00 14.42 O ATOM 55 CB HIS A 5 3.578 8.618 -11.227 1.00 4.42 C ATOM 56 CG HIS A 5 2.274 8.125 -11.772 1.00 54.33 C ATOM 57 ND1 HIS A 5 1.066 8.731 -11.497 1.00 52.22 N ATOM 58 CD2 HIS A 5 1.992 7.079 -12.583 1.00 33.53 C ATOM 59 CE1 HIS A 5 0.097 8.077 -12.113 1.00 43.34 C ATOM 60 NE2 HIS A 5 0.633 7.070 -12.780 1.00 13.25 N ATOM 61 H HIS A 5 2.426 6.649 -9.702 1.00 42.40 H ATOM 62 HA HIS A 5 4.860 8.303 -9.543 1.00 13.52 H ATOM 63 HB2 HIS A 5 3.597 9.693 -11.333 1.00 13.13 H ATOM 64 HB3 HIS A 5 4.371 8.189 -11.822 1.00 44.12 H ATOM 65 HD1 HIS A 5 0.937 9.522 -10.933 1.00 25.51 H ATOM 66 HD2 HIS A 5 2.703 6.378 -12.998 1.00 3.41 H ATOM 67 HE1 HIS A 5 -0.953 8.324 -12.079 1.00 73.24 H ATOM 68 N PRO A 6 3.696 10.419 -8.643 1.00 10.45 N ATOM 69 CA PRO A 6 3.124 11.476 -7.803 1.00 5.24 C ATOM 70 C PRO A 6 1.907 12.132 -8.444 1.00 75.24 C ATOM 71 O PRO A 6 2.002 13.220 -9.012 1.00 72.14 O ATOM 72 CB PRO A 6 4.269 12.485 -7.674 1.00 32.44 C ATOM 73 CG PRO A 6 5.105 12.266 -8.887 1.00 54.43 C ATOM 74 CD PRO A 6 5.005 10.799 -9.201 1.00 12.05 C ATOM 75 HA PRO A 6 2.858 11.104 -6.824 1.00 11.50 H ATOM 76 HB2 PRO A 6 3.867 13.488 -7.645 1.00 34.51 H ATOM 77 HB3 PRO A 6 4.826 12.288 -6.770 1.00 43.31 H ATOM 78 HG2 PRO A 6 4.720 12.852 -9.708 1.00 41.12 H ATOM 79 HG3 PRO A 6 6.130 12.536 -8.680 1.00 33.11 H ATOM 80 HD2 PRO A 6 5.030 10.638 -10.268 1.00 41.51 H ATOM 81 HD3 PRO A 6 5.802 10.255 -8.716 1.00 61.32 H ATOM 82 N VAL A 7 0.762 11.463 -8.350 1.00 54.11 N ATOM 83 CA VAL A 7 -0.476 11.982 -8.920 1.00 60.24 C ATOM 84 C VAL A 7 -1.688 11.508 -8.127 1.00 30.45 C ATOM 85 O VAL A 7 -2.413 10.600 -8.535 1.00 42.34 O ATOM 86 CB VAL A 7 -0.639 11.553 -10.391 1.00 13.23 C ATOM 87 CG1 VAL A 7 -1.940 12.095 -10.964 1.00 31.04 C ATOM 88 CG2 VAL A 7 0.551 12.018 -11.216 1.00 51.12 C ATOM 89 H VAL A 7 0.749 10.601 -7.885 1.00 72.52 H ATOM 90 HA VAL A 7 -0.434 13.061 -8.884 1.00 63.24 H ATOM 91 HB VAL A 7 -0.677 10.474 -10.428 1.00 52.41 H ATOM 92 HG11 VAL A 7 -2.446 12.685 -10.213 1.00 24.30 H ATOM 93 HG12 VAL A 7 -1.726 12.712 -11.824 1.00 24.01 H ATOM 94 HG13 VAL A 7 -2.573 11.271 -11.260 1.00 13.53 H ATOM 95 HG21 VAL A 7 1.417 11.422 -10.968 1.00 15.42 H ATOM 96 HG22 VAL A 7 0.325 11.906 -12.266 1.00 44.32 H ATOM 97 HG23 VAL A 7 0.755 13.057 -11.001 1.00 23.02 H ATOM 98 N PRO A 8 -1.916 12.135 -6.963 1.00 43.11 N ATOM 99 CA PRO A 8 -3.041 11.795 -6.087 1.00 62.11 C ATOM 100 C PRO A 8 -4.384 12.204 -6.683 1.00 24.51 C ATOM 101 O PRO A 8 -4.463 12.600 -7.845 1.00 13.43 O ATOM 102 CB PRO A 8 -2.754 12.596 -4.815 1.00 34.14 C ATOM 103 CG PRO A 8 -1.919 13.743 -5.269 1.00 33.11 C ATOM 104 CD PRO A 8 -1.093 13.226 -6.414 1.00 23.54 C ATOM 105 HA PRO A 8 -3.058 10.740 -5.854 1.00 45.15 H ATOM 106 HB2 PRO A 8 -3.686 12.932 -4.380 1.00 64.43 H ATOM 107 HB3 PRO A 8 -2.223 11.977 -4.107 1.00 53.01 H ATOM 108 HG2 PRO A 8 -2.554 14.551 -5.600 1.00 22.14 H ATOM 109 HG3 PRO A 8 -1.279 14.072 -4.464 1.00 31.03 H ATOM 110 HD2 PRO A 8 -0.939 14.001 -7.149 1.00 53.21 H ATOM 111 HD3 PRO A 8 -0.146 12.850 -6.055 1.00 65.25 H ATOM 112 N GLY A 9 -5.438 12.104 -5.879 1.00 2.14 N ATOM 113 CA GLY A 9 -6.763 12.468 -6.345 1.00 32.54 C ATOM 114 C GLY A 9 -7.482 13.394 -5.384 1.00 3.20 C ATOM 115 O GLY A 9 -6.883 14.324 -4.844 1.00 32.13 O ATOM 116 H GLY A 9 -5.314 11.781 -4.961 1.00 54.24 H ATOM 117 HA2 GLY A 9 -6.674 12.958 -7.303 1.00 33.53 H ATOM 118 HA3 GLY A 9 -7.349 11.568 -6.465 1.00 12.14 H ATOM 119 N MET A 10 -8.769 13.142 -5.172 1.00 31.41 N ATOM 120 CA MET A 10 -9.570 13.961 -4.270 1.00 2.41 C ATOM 121 C MET A 10 -8.897 14.086 -2.907 1.00 2.03 C ATOM 122 O MET A 10 -9.061 15.089 -2.211 1.00 54.05 O ATOM 123 CB MET A 10 -10.968 13.363 -4.108 1.00 74.44 C ATOM 124 CG MET A 10 -12.009 13.994 -5.019 1.00 43.21 C ATOM 125 SD MET A 10 -13.186 15.023 -4.121 1.00 5.24 S ATOM 126 CE MET A 10 -13.772 16.091 -5.433 1.00 53.42 C ATOM 127 H MET A 10 -9.191 12.386 -5.632 1.00 30.23 H ATOM 128 HA MET A 10 -9.657 14.945 -4.706 1.00 74.14 H ATOM 129 HB2 MET A 10 -10.923 12.306 -4.328 1.00 45.50 H ATOM 130 HB3 MET A 10 -11.289 13.496 -3.086 1.00 3.12 H ATOM 131 HG2 MET A 10 -11.503 14.606 -5.751 1.00 54.32 H ATOM 132 HG3 MET A 10 -12.550 13.207 -5.523 1.00 53.42 H ATOM 133 HE1 MET A 10 -14.588 15.609 -5.952 1.00 61.21 H ATOM 134 HE2 MET A 10 -14.116 17.025 -5.012 1.00 23.52 H ATOM 135 HE3 MET A 10 -12.967 16.284 -6.127 1.00 14.21 H ATOM 136 N HIS A 11 -8.139 13.061 -2.530 1.00 44.20 N ATOM 137 CA HIS A 11 -7.440 13.057 -1.249 1.00 73.04 C ATOM 138 C HIS A 11 -5.977 12.664 -1.430 1.00 32.33 C ATOM 139 O HIS A 11 -5.666 11.515 -1.746 1.00 12.22 O ATOM 140 CB HIS A 11 -8.123 12.096 -0.276 1.00 24.42 C ATOM 141 CG HIS A 11 -9.613 12.242 -0.235 1.00 63.54 C ATOM 142 ND1 HIS A 11 -10.248 13.323 0.339 1.00 63.43 N ATOM 143 CD2 HIS A 11 -10.594 11.436 -0.704 1.00 32.43 C ATOM 144 CE1 HIS A 11 -11.555 13.174 0.223 1.00 14.52 C ATOM 145 NE2 HIS A 11 -11.792 12.038 -0.406 1.00 70.41 N ATOM 146 H HIS A 11 -8.046 12.290 -3.127 1.00 52.35 H ATOM 147 HA HIS A 11 -7.484 14.057 -0.845 1.00 30.44 H ATOM 148 HB2 HIS A 11 -7.897 11.080 -0.566 1.00 31.13 H ATOM 149 HB3 HIS A 11 -7.744 12.273 0.721 1.00 42.25 H ATOM 150 HD1 HIS A 11 -9.806 14.084 0.768 1.00 22.02 H ATOM 151 HD2 HIS A 11 -10.461 10.493 -1.216 1.00 41.13 H ATOM 152 HE1 HIS A 11 -12.304 13.865 0.582 1.00 50.05 H ATOM 153 N LYS A 12 -5.082 13.625 -1.227 1.00 71.34 N ATOM 154 CA LYS A 12 -3.652 13.380 -1.367 1.00 5.02 C ATOM 155 C LYS A 12 -3.163 12.393 -0.312 1.00 30.33 C ATOM 156 O LYS A 12 -2.066 11.844 -0.421 1.00 73.51 O ATOM 157 CB LYS A 12 -2.875 14.693 -1.250 1.00 2.52 C ATOM 158 CG LYS A 12 -1.481 14.631 -1.850 1.00 2.33 C ATOM 159 CD LYS A 12 -0.408 14.792 -0.786 1.00 12.24 C ATOM 160 CE LYS A 12 0.875 15.364 -1.369 1.00 72.34 C ATOM 161 NZ LYS A 12 2.047 14.487 -1.096 1.00 3.31 N ATOM 162 H LYS A 12 -5.392 14.521 -0.977 1.00 64.12 H ATOM 163 HA LYS A 12 -3.481 12.957 -2.345 1.00 30.30 H ATOM 164 HB2 LYS A 12 -3.428 15.471 -1.756 1.00 63.01 H ATOM 165 HB3 LYS A 12 -2.783 14.951 -0.204 1.00 41.45 H ATOM 166 HG2 LYS A 12 -1.350 13.676 -2.336 1.00 20.25 H ATOM 167 HG3 LYS A 12 -1.376 15.424 -2.577 1.00 0.24 H ATOM 168 HD2 LYS A 12 -0.771 15.461 -0.019 1.00 44.33 H ATOM 169 HD3 LYS A 12 -0.196 13.825 -0.351 1.00 54.41 H ATOM 170 HE2 LYS A 12 0.755 15.467 -2.437 1.00 35.31 H ATOM 171 HE3 LYS A 12 1.052 16.335 -0.932 1.00 3.11 H ATOM 172 HZ1 LYS A 12 2.658 14.921 -0.375 1.00 12.51 H ATOM 173 HZ2 LYS A 12 2.600 14.349 -1.966 1.00 3.10 H ATOM 174 HZ3 LYS A 12 1.727 13.560 -0.751 1.00 64.23 H ATOM 175 N CYS A 13 -3.984 12.170 0.709 1.00 12.21 N ATOM 176 CA CYS A 13 -3.637 11.248 1.784 1.00 42.23 C ATOM 177 C CYS A 13 -4.193 9.855 1.506 1.00 63.44 C ATOM 178 O CYS A 13 -4.585 9.136 2.425 1.00 63.21 O ATOM 179 CB CYS A 13 -4.172 11.765 3.120 1.00 0.35 C ATOM 180 SG CYS A 13 -3.235 13.170 3.803 1.00 3.32 S ATOM 181 H CYS A 13 -4.846 12.638 0.741 1.00 43.11 H ATOM 182 HA CYS A 13 -2.560 11.189 1.835 1.00 14.24 H ATOM 183 HB2 CYS A 13 -5.195 12.087 2.990 1.00 71.42 H ATOM 184 HB3 CYS A 13 -4.141 10.965 3.845 1.00 12.54 H ATOM 185 N VAL A 14 -4.223 9.479 0.231 1.00 52.23 N ATOM 186 CA VAL A 14 -4.729 8.172 -0.169 1.00 73.33 C ATOM 187 C VAL A 14 -3.900 7.050 0.445 1.00 63.21 C ATOM 188 O VAL A 14 -4.442 6.063 0.943 1.00 61.32 O ATOM 189 CB VAL A 14 -4.730 8.015 -1.702 1.00 31.14 C ATOM 190 CG1 VAL A 14 -3.348 8.302 -2.269 1.00 12.24 C ATOM 191 CG2 VAL A 14 -5.197 6.621 -2.094 1.00 13.41 C ATOM 192 H VAL A 14 -3.897 10.096 -0.457 1.00 42.21 H ATOM 193 HA VAL A 14 -5.748 8.086 0.181 1.00 42.42 H ATOM 194 HB VAL A 14 -5.421 8.734 -2.116 1.00 75.34 H ATOM 195 HG11 VAL A 14 -2.812 8.956 -1.596 1.00 73.20 H ATOM 196 HG12 VAL A 14 -2.805 7.375 -2.381 1.00 0.30 H ATOM 197 HG13 VAL A 14 -3.447 8.781 -3.232 1.00 20.02 H ATOM 198 HG21 VAL A 14 -6.195 6.456 -1.715 1.00 24.41 H ATOM 199 HG22 VAL A 14 -5.201 6.534 -3.170 1.00 72.31 H ATOM 200 HG23 VAL A 14 -4.526 5.885 -1.675 1.00 54.14 H ATOM 201 N CYS A 15 -2.581 7.208 0.407 1.00 22.20 N ATOM 202 CA CYS A 15 -1.674 6.209 0.960 1.00 73.12 C ATOM 203 C CYS A 15 -1.745 6.195 2.484 1.00 23.50 C ATOM 204 O CYS A 15 -1.160 5.328 3.136 1.00 72.14 O ATOM 205 CB CYS A 15 -0.239 6.486 0.507 1.00 33.01 C ATOM 206 SG CYS A 15 0.926 5.131 0.859 1.00 60.44 S ATOM 207 H CYS A 15 -2.207 8.017 -0.003 1.00 74.24 H ATOM 208 HA CYS A 15 -1.979 5.242 0.589 1.00 52.34 H ATOM 209 HB2 CYS A 15 -0.233 6.655 -0.560 1.00 0.21 H ATOM 210 HB3 CYS A 15 0.124 7.371 1.009 1.00 73.23 H ATOM 211 N LEU A 16 -2.464 7.159 3.046 1.00 0.54 N ATOM 212 CA LEU A 16 -2.612 7.259 4.494 1.00 20.43 C ATOM 213 C LEU A 16 -3.893 8.001 4.861 1.00 31.32 C ATOM 214 O LEU A 16 -3.852 9.066 5.477 1.00 41.11 O ATOM 215 CB LEU A 16 -1.404 7.972 5.103 1.00 45.54 C ATOM 216 CG LEU A 16 -1.157 9.403 4.621 1.00 25.33 C ATOM 217 CD1 LEU A 16 -0.589 10.254 5.747 1.00 53.04 C ATOM 218 CD2 LEU A 16 -0.220 9.408 3.422 1.00 23.51 C ATOM 219 H LEU A 16 -2.906 7.821 2.476 1.00 54.24 H ATOM 220 HA LEU A 16 -2.665 6.256 4.891 1.00 21.23 H ATOM 221 HB2 LEU A 16 -1.542 8.003 6.172 1.00 3.14 H ATOM 222 HB3 LEU A 16 -0.524 7.388 4.871 1.00 33.14 H ATOM 223 HG LEU A 16 -2.097 9.840 4.314 1.00 23.22 H ATOM 224 HD11 LEU A 16 0.246 9.742 6.199 1.00 45.21 H ATOM 225 HD12 LEU A 16 -1.354 10.423 6.491 1.00 63.15 H ATOM 226 HD13 LEU A 16 -0.259 11.203 5.349 1.00 71.43 H ATOM 227 HD21 LEU A 16 -0.689 9.928 2.601 1.00 51.22 H ATOM 228 HD22 LEU A 16 -0.006 8.390 3.129 1.00 41.31 H ATOM 229 HD23 LEU A 16 0.701 9.907 3.687 1.00 62.21 H ATOM 230 N LYS A 17 -5.031 7.430 4.481 1.00 60.22 N ATOM 231 CA LYS A 17 -6.326 8.034 4.772 1.00 4.11 C ATOM 232 C LYS A 17 -6.397 8.493 6.225 1.00 51.41 C ATOM 233 O LYS A 17 -7.155 9.404 6.563 1.00 24.40 O ATOM 234 CB LYS A 17 -7.452 7.039 4.485 1.00 52.25 C ATOM 235 CG LYS A 17 -7.343 5.750 5.280 1.00 64.33 C ATOM 236 CD LYS A 17 -7.759 4.546 4.451 1.00 54.32 C ATOM 237 CE LYS A 17 -8.601 3.574 5.264 1.00 44.14 C ATOM 238 NZ LYS A 17 -10.058 3.776 5.034 1.00 31.40 N ATOM 239 H LYS A 17 -4.999 6.580 3.992 1.00 33.15 H ATOM 240 HA LYS A 17 -6.443 8.893 4.129 1.00 2.33 H ATOM 241 HB2 LYS A 17 -8.397 7.505 4.722 1.00 11.12 H ATOM 242 HB3 LYS A 17 -7.437 6.791 3.433 1.00 55.21 H ATOM 243 HG2 LYS A 17 -6.318 5.618 5.596 1.00 55.12 H ATOM 244 HG3 LYS A 17 -7.983 5.817 6.147 1.00 14.25 H ATOM 245 HD2 LYS A 17 -8.339 4.886 3.605 1.00 64.40 H ATOM 246 HD3 LYS A 17 -6.873 4.037 4.101 1.00 23.51 H ATOM 247 HE2 LYS A 17 -8.336 2.567 4.981 1.00 34.42 H ATOM 248 HE3 LYS A 17 -8.386 3.722 6.312 1.00 41.13 H ATOM 249 HZ1 LYS A 17 -10.234 4.734 4.672 1.00 1.52 H ATOM 250 HZ2 LYS A 17 -10.580 3.651 5.925 1.00 13.50 H ATOM 251 HZ3 LYS A 17 -10.409 3.085 4.341 1.00 74.03 H ATOM 252 N THR A 18 -5.602 7.859 7.081 1.00 35.23 N ATOM 253 CA THR A 18 -5.576 8.202 8.497 1.00 4.54 C ATOM 254 C THR A 18 -4.706 9.429 8.749 1.00 22.22 C ATOM 255 O THR A 18 -4.086 9.556 9.805 1.00 5.52 O ATOM 256 CB THR A 18 -5.051 7.031 9.350 1.00 53.52 C ATOM 257 OG1 THR A 18 -5.297 7.287 10.737 1.00 34.31 O ATOM 258 CG2 THR A 18 -3.562 6.822 9.124 1.00 45.31 C ATOM 259 H THR A 18 -5.022 7.142 6.751 1.00 5.04 H ATOM 260 HA THR A 18 -6.587 8.421 8.807 1.00 74.11 H ATOM 261 HB THR A 18 -5.574 6.132 9.059 1.00 73.34 H ATOM 262 HG1 THR A 18 -6.237 7.204 10.916 1.00 54.51 H ATOM 263 HG21 THR A 18 -3.252 7.365 8.244 1.00 43.41 H ATOM 264 HG22 THR A 18 -3.362 5.770 8.986 1.00 75.13 H ATOM 265 HG23 THR A 18 -3.013 7.183 9.981 1.00 14.15 H ATOM 266 N CYS A 19 -4.665 10.330 7.773 1.00 21.23 N ATOM 267 CA CYS A 19 -3.871 11.547 7.889 1.00 51.13 C ATOM 268 C CYS A 19 -4.148 12.254 9.213 1.00 70.43 C ATOM 269 O CYS A 19 -3.235 12.778 9.850 1.00 24.13 O ATOM 270 CB CYS A 19 -4.173 12.490 6.722 1.00 24.01 C ATOM 271 SG CYS A 19 -2.727 12.871 5.681 1.00 70.40 S ATOM 272 H CYS A 19 -5.181 10.172 6.954 1.00 13.04 H ATOM 273 HA CYS A 19 -2.829 11.268 7.855 1.00 40.42 H ATOM 274 HB2 CYS A 19 -4.923 12.038 6.089 1.00 4.40 H ATOM 275 HB3 CYS A 19 -4.552 13.423 7.112 1.00 74.30 H TER 276 CYS A 19 ENDMDL MODEL 17 ATOM 1 N ASP A 1 0.573 0.887 0.055 1.00 21.14 N ATOM 2 CA ASP A 1 -0.438 0.970 -0.992 1.00 51.11 C ATOM 3 C ASP A 1 -0.359 2.309 -1.719 1.00 10.13 C ATOM 4 O ASP A 1 -1.382 2.910 -2.048 1.00 1.41 O ATOM 5 CB ASP A 1 -1.835 0.780 -0.399 1.00 22.44 C ATOM 6 CG ASP A 1 -1.897 -0.383 0.573 1.00 14.50 C ATOM 7 OD1 ASP A 1 -1.569 -1.516 0.164 1.00 35.43 O ATOM 8 OD2 ASP A 1 -2.273 -0.158 1.742 1.00 34.13 O ATOM 9 H1 ASP A 1 0.461 1.418 0.872 1.00 40.35 H ATOM 10 HA ASP A 1 -0.247 0.179 -1.701 1.00 33.41 H ATOM 11 HB2 ASP A 1 -2.122 1.679 0.127 1.00 44.24 H ATOM 12 HB3 ASP A 1 -2.537 0.595 -1.198 1.00 43.35 H ATOM 13 N CYS A 2 0.862 2.772 -1.965 1.00 21.40 N ATOM 14 CA CYS A 2 1.076 4.040 -2.651 1.00 1.11 C ATOM 15 C CYS A 2 1.160 3.835 -4.161 1.00 33.33 C ATOM 16 O CYS A 2 1.524 2.764 -4.647 1.00 41.25 O ATOM 17 CB CYS A 2 2.356 4.708 -2.144 1.00 51.24 C ATOM 18 SG CYS A 2 2.522 4.717 -0.330 1.00 40.43 S ATOM 19 H CYS A 2 1.640 2.247 -1.678 1.00 35.31 H ATOM 20 HA CYS A 2 0.235 4.681 -2.433 1.00 44.13 H ATOM 21 HB2 CYS A 2 3.210 4.185 -2.549 1.00 42.10 H ATOM 22 HB3 CYS A 2 2.375 5.734 -2.482 1.00 64.22 H ATOM 23 N PRO A 3 0.814 4.885 -4.921 1.00 24.35 N ATOM 24 CA PRO A 3 0.843 4.845 -6.386 1.00 12.04 C ATOM 25 C PRO A 3 2.263 4.789 -6.937 1.00 25.24 C ATOM 26 O PRO A 3 3.242 5.007 -6.221 1.00 55.44 O ATOM 27 CB PRO A 3 0.164 6.156 -6.789 1.00 42.42 C ATOM 28 CG PRO A 3 0.381 7.067 -5.630 1.00 53.34 C ATOM 29 CD PRO A 3 0.370 6.192 -4.408 1.00 22.31 C ATOM 30 HA PRO A 3 0.275 4.011 -6.771 1.00 22.40 H ATOM 31 HB2 PRO A 3 0.626 6.542 -7.687 1.00 72.15 H ATOM 32 HB3 PRO A 3 -0.887 5.983 -6.964 1.00 10.22 H ATOM 33 HG2 PRO A 3 1.334 7.565 -5.727 1.00 73.43 H ATOM 34 HG3 PRO A 3 -0.419 7.792 -5.579 1.00 23.41 H ATOM 35 HD2 PRO A 3 1.059 6.570 -3.667 1.00 60.30 H ATOM 36 HD3 PRO A 3 -0.628 6.126 -3.999 1.00 65.04 H ATOM 37 N PRO A 4 2.383 4.489 -8.239 1.00 13.44 N ATOM 38 CA PRO A 4 3.680 4.399 -8.914 1.00 64.34 C ATOM 39 C PRO A 4 4.352 5.759 -9.065 1.00 52.53 C ATOM 40 O PRO A 4 5.533 5.918 -8.754 1.00 52.23 O ATOM 41 CB PRO A 4 3.326 3.822 -10.287 1.00 52.24 C ATOM 42 CG PRO A 4 1.907 4.217 -10.509 1.00 14.20 C ATOM 43 CD PRO A 4 1.260 4.217 -9.151 1.00 72.05 C ATOM 44 HA PRO A 4 4.349 3.724 -8.400 1.00 60.34 H ATOM 45 HB2 PRO A 4 3.977 4.247 -11.038 1.00 40.42 H ATOM 46 HB3 PRO A 4 3.439 2.749 -10.271 1.00 74.31 H ATOM 47 HG2 PRO A 4 1.864 5.204 -10.945 1.00 33.23 H ATOM 48 HG3 PRO A 4 1.423 3.499 -11.154 1.00 54.13 H ATOM 49 HD2 PRO A 4 0.514 4.996 -9.089 1.00 21.54 H ATOM 50 HD3 PRO A 4 0.820 3.253 -8.943 1.00 71.22 H ATOM 51 N HIS A 5 3.592 6.739 -9.544 1.00 11.50 N ATOM 52 CA HIS A 5 4.114 8.088 -9.735 1.00 31.01 C ATOM 53 C HIS A 5 3.417 9.077 -8.806 1.00 12.14 C ATOM 54 O HIS A 5 2.299 8.849 -8.342 1.00 41.05 O ATOM 55 CB HIS A 5 3.937 8.525 -11.189 1.00 54.04 C ATOM 56 CG HIS A 5 2.621 8.122 -11.780 1.00 34.22 C ATOM 57 ND1 HIS A 5 1.438 8.774 -11.500 1.00 5.25 N ATOM 58 CD2 HIS A 5 2.304 7.127 -12.641 1.00 64.14 C ATOM 59 CE1 HIS A 5 0.452 8.197 -12.162 1.00 31.12 C ATOM 60 NE2 HIS A 5 0.951 7.195 -12.863 1.00 31.22 N ATOM 61 H HIS A 5 2.658 6.551 -9.774 1.00 2.23 H ATOM 62 HA HIS A 5 5.167 8.072 -9.499 1.00 0.42 H ATOM 63 HB2 HIS A 5 4.009 9.601 -11.246 1.00 44.13 H ATOM 64 HB3 HIS A 5 4.720 8.084 -11.789 1.00 74.32 H ATOM 65 HD1 HIS A 5 1.338 9.544 -10.903 1.00 14.33 H ATOM 66 HD2 HIS A 5 2.989 6.411 -13.075 1.00 2.43 H ATOM 67 HE1 HIS A 5 -0.586 8.494 -12.136 1.00 21.54 H ATOM 68 N PRO A 6 4.091 10.202 -8.525 1.00 0.12 N ATOM 69 CA PRO A 6 3.555 11.248 -7.648 1.00 45.04 C ATOM 70 C PRO A 6 2.384 11.991 -8.282 1.00 4.54 C ATOM 71 O PRO A 6 2.544 13.097 -8.798 1.00 44.42 O ATOM 72 CB PRO A 6 4.745 12.191 -7.454 1.00 2.23 C ATOM 73 CG PRO A 6 5.593 11.985 -8.661 1.00 4.20 C ATOM 74 CD PRO A 6 5.428 10.540 -9.042 1.00 32.03 C ATOM 75 HA PRO A 6 3.251 10.847 -6.692 1.00 44.34 H ATOM 76 HB2 PRO A 6 4.392 13.211 -7.387 1.00 23.20 H ATOM 77 HB3 PRO A 6 5.274 11.928 -6.550 1.00 62.42 H ATOM 78 HG2 PRO A 6 5.255 12.625 -9.461 1.00 53.24 H ATOM 79 HG3 PRO A 6 6.626 12.194 -8.423 1.00 62.34 H ATOM 80 HD2 PRO A 6 5.467 10.426 -10.115 1.00 35.31 H ATOM 81 HD3 PRO A 6 6.188 9.936 -8.568 1.00 75.43 H ATOM 82 N VAL A 7 1.206 11.377 -8.238 1.00 2.41 N ATOM 83 CA VAL A 7 0.007 11.982 -8.806 1.00 44.11 C ATOM 84 C VAL A 7 -1.242 11.535 -8.056 1.00 32.21 C ATOM 85 O VAL A 7 -2.003 10.684 -8.518 1.00 25.21 O ATOM 86 CB VAL A 7 -0.148 11.627 -10.297 1.00 4.21 C ATOM 87 CG1 VAL A 7 -1.409 12.258 -10.868 1.00 24.02 C ATOM 88 CG2 VAL A 7 1.080 12.068 -11.079 1.00 62.15 C ATOM 89 H VAL A 7 1.142 10.497 -7.813 1.00 33.14 H ATOM 90 HA VAL A 7 0.102 13.055 -8.721 1.00 60.00 H ATOM 91 HB VAL A 7 -0.238 10.554 -10.383 1.00 43.33 H ATOM 92 HG11 VAL A 7 -2.075 11.481 -11.212 1.00 71.22 H ATOM 93 HG12 VAL A 7 -1.898 12.841 -10.102 1.00 14.02 H ATOM 94 HG13 VAL A 7 -1.146 12.899 -11.696 1.00 54.35 H ATOM 95 HG21 VAL A 7 1.906 11.409 -10.856 1.00 32.10 H ATOM 96 HG22 VAL A 7 0.865 12.030 -12.137 1.00 13.21 H ATOM 97 HG23 VAL A 7 1.341 13.079 -10.801 1.00 63.24 H ATOM 98 N PRO A 8 -1.462 12.121 -6.870 1.00 1.42 N ATOM 99 CA PRO A 8 -2.620 11.800 -6.030 1.00 64.21 C ATOM 100 C PRO A 8 -3.928 12.301 -6.631 1.00 35.03 C ATOM 101 O PRO A 8 -3.965 12.751 -7.775 1.00 14.30 O ATOM 102 CB PRO A 8 -2.319 12.529 -4.718 1.00 75.01 C ATOM 103 CG PRO A 8 -1.420 13.652 -5.106 1.00 30.53 C ATOM 104 CD PRO A 8 -0.597 13.144 -6.258 1.00 13.15 C ATOM 105 HA PRO A 8 -2.693 10.738 -5.845 1.00 41.12 H ATOM 106 HB2 PRO A 8 -3.242 12.892 -4.286 1.00 24.42 H ATOM 107 HB3 PRO A 8 -1.834 11.854 -4.030 1.00 22.13 H ATOM 108 HG2 PRO A 8 -2.007 14.504 -5.411 1.00 53.01 H ATOM 109 HG3 PRO A 8 -0.781 13.913 -4.275 1.00 63.53 H ATOM 110 HD2 PRO A 8 -0.391 13.943 -6.955 1.00 32.43 H ATOM 111 HD3 PRO A 8 0.323 12.706 -5.900 1.00 11.12 H ATOM 112 N GLY A 9 -5.002 12.220 -5.850 1.00 60.13 N ATOM 113 CA GLY A 9 -6.298 12.669 -6.323 1.00 14.41 C ATOM 114 C GLY A 9 -6.992 13.584 -5.332 1.00 64.43 C ATOM 115 O GLY A 9 -6.361 14.455 -4.736 1.00 4.53 O ATOM 116 H GLY A 9 -4.913 11.852 -4.946 1.00 61.22 H ATOM 117 HA2 GLY A 9 -6.166 13.199 -7.254 1.00 41.34 H ATOM 118 HA3 GLY A 9 -6.924 11.806 -6.497 1.00 51.43 H ATOM 119 N MET A 10 -8.294 13.385 -5.158 1.00 11.41 N ATOM 120 CA MET A 10 -9.074 14.200 -4.233 1.00 25.23 C ATOM 121 C MET A 10 -8.423 14.229 -2.854 1.00 5.55 C ATOM 122 O MET A 10 -8.550 15.208 -2.117 1.00 31.02 O ATOM 123 CB MET A 10 -10.501 13.661 -4.124 1.00 54.41 C ATOM 124 CG MET A 10 -11.505 14.425 -4.973 1.00 61.32 C ATOM 125 SD MET A 10 -11.992 15.994 -4.231 1.00 4.04 S ATOM 126 CE MET A 10 -13.108 16.628 -5.479 1.00 74.54 C ATOM 127 H MET A 10 -8.742 12.674 -5.662 1.00 52.42 H ATOM 128 HA MET A 10 -9.106 15.205 -4.624 1.00 55.50 H ATOM 129 HB2 MET A 10 -10.509 12.628 -4.438 1.00 2.30 H ATOM 130 HB3 MET A 10 -10.818 13.719 -3.093 1.00 60.43 H ATOM 131 HG2 MET A 10 -11.064 14.622 -5.939 1.00 22.22 H ATOM 132 HG3 MET A 10 -12.386 13.813 -5.100 1.00 50.35 H ATOM 133 HE1 MET A 10 -12.556 17.238 -6.180 1.00 32.44 H ATOM 134 HE2 MET A 10 -13.567 15.803 -6.004 1.00 61.34 H ATOM 135 HE3 MET A 10 -13.875 17.224 -5.007 1.00 44.43 H ATOM 136 N HIS A 11 -7.725 13.151 -2.510 1.00 2.40 N ATOM 137 CA HIS A 11 -7.053 13.055 -1.219 1.00 35.24 C ATOM 138 C HIS A 11 -5.608 12.599 -1.391 1.00 4.13 C ATOM 139 O HIS A 11 -5.346 11.451 -1.752 1.00 2.53 O ATOM 140 CB HIS A 11 -7.801 12.085 -0.303 1.00 63.30 C ATOM 141 CG HIS A 11 -9.283 12.301 -0.283 1.00 5.34 C ATOM 142 ND1 HIS A 11 -9.861 13.519 0.006 1.00 12.13 N ATOM 143 CD2 HIS A 11 -10.305 11.447 -0.519 1.00 55.02 C ATOM 144 CE1 HIS A 11 -11.176 13.404 -0.052 1.00 1.13 C ATOM 145 NE2 HIS A 11 -11.472 12.157 -0.369 1.00 65.42 N ATOM 146 H HIS A 11 -7.660 12.404 -3.140 1.00 24.11 H ATOM 147 HA HIS A 11 -7.057 14.036 -0.769 1.00 33.13 H ATOM 148 HB2 HIS A 11 -7.618 11.073 -0.636 1.00 13.44 H ATOM 149 HB3 HIS A 11 -7.434 12.198 0.707 1.00 1.10 H ATOM 150 HD1 HIS A 11 -9.380 14.344 0.223 1.00 2.22 H ATOM 151 HD2 HIS A 11 -10.221 10.401 -0.778 1.00 31.44 H ATOM 152 HE1 HIS A 11 -11.888 14.195 0.129 1.00 54.01 H ATOM 153 N LYS A 12 -4.672 13.506 -1.131 1.00 23.32 N ATOM 154 CA LYS A 12 -3.252 13.198 -1.256 1.00 0.10 C ATOM 155 C LYS A 12 -2.832 12.143 -0.238 1.00 71.51 C ATOM 156 O LYS A 12 -1.761 11.546 -0.353 1.00 73.42 O ATOM 157 CB LYS A 12 -2.416 14.466 -1.066 1.00 62.35 C ATOM 158 CG LYS A 12 -2.460 15.407 -2.258 1.00 3.03 C ATOM 159 CD LYS A 12 -3.149 16.716 -1.909 1.00 61.42 C ATOM 160 CE LYS A 12 -3.882 17.296 -3.109 1.00 1.21 C ATOM 161 NZ LYS A 12 -3.727 18.775 -3.191 1.00 63.03 N ATOM 162 H LYS A 12 -4.943 14.404 -0.847 1.00 2.34 H ATOM 163 HA LYS A 12 -3.083 12.811 -2.249 1.00 62.42 H ATOM 164 HB2 LYS A 12 -2.781 14.997 -0.200 1.00 51.42 H ATOM 165 HB3 LYS A 12 -1.387 14.182 -0.897 1.00 31.25 H ATOM 166 HG2 LYS A 12 -1.450 15.618 -2.576 1.00 5.44 H ATOM 167 HG3 LYS A 12 -3.000 14.929 -3.063 1.00 1.23 H ATOM 168 HD2 LYS A 12 -3.862 16.538 -1.118 1.00 22.31 H ATOM 169 HD3 LYS A 12 -2.406 17.426 -1.574 1.00 20.40 H ATOM 170 HE2 LYS A 12 -3.484 16.851 -4.008 1.00 20.44 H ATOM 171 HE3 LYS A 12 -4.932 17.057 -3.023 1.00 4.01 H ATOM 172 HZ1 LYS A 12 -4.193 19.136 -4.048 1.00 11.35 H ATOM 173 HZ2 LYS A 12 -2.718 19.027 -3.226 1.00 70.41 H ATOM 174 HZ3 LYS A 12 -4.156 19.226 -2.359 1.00 11.23 H ATOM 175 N CYS A 13 -3.683 11.916 0.757 1.00 24.15 N ATOM 176 CA CYS A 13 -3.401 10.932 1.795 1.00 21.34 C ATOM 177 C CYS A 13 -4.017 9.580 1.445 1.00 11.32 C ATOM 178 O CYS A 13 -4.462 8.842 2.324 1.00 22.12 O ATOM 179 CB CYS A 13 -3.937 11.415 3.145 1.00 61.35 C ATOM 180 SG CYS A 13 -2.947 12.741 3.906 1.00 54.31 S ATOM 181 H CYS A 13 -4.521 12.424 0.796 1.00 60.35 H ATOM 182 HA CYS A 13 -2.330 10.818 1.863 1.00 3.13 H ATOM 183 HB2 CYS A 13 -4.941 11.790 3.011 1.00 41.54 H ATOM 184 HB3 CYS A 13 -3.958 10.583 3.833 1.00 14.23 H ATOM 185 N VAL A 14 -4.040 9.263 0.154 1.00 3.05 N ATOM 186 CA VAL A 14 -4.600 8.001 -0.313 1.00 24.52 C ATOM 187 C VAL A 14 -3.837 6.814 0.265 1.00 31.33 C ATOM 188 O VAL A 14 -4.436 5.833 0.708 1.00 1.25 O ATOM 189 CB VAL A 14 -4.577 7.911 -1.850 1.00 51.53 C ATOM 190 CG1 VAL A 14 -3.172 8.156 -2.379 1.00 21.40 C ATOM 191 CG2 VAL A 14 -5.103 6.561 -2.313 1.00 64.11 C ATOM 192 H VAL A 14 -3.670 9.893 -0.499 1.00 31.10 H ATOM 193 HA VAL A 14 -5.628 7.950 0.015 1.00 61.32 H ATOM 194 HB VAL A 14 -5.225 8.681 -2.245 1.00 22.52 H ATOM 195 HG11 VAL A 14 -2.619 8.752 -1.668 1.00 40.33 H ATOM 196 HG12 VAL A 14 -2.672 7.209 -2.523 1.00 44.20 H ATOM 197 HG13 VAL A 14 -3.228 8.680 -3.321 1.00 53.54 H ATOM 198 HG21 VAL A 14 -5.092 6.521 -3.392 1.00 33.40 H ATOM 199 HG22 VAL A 14 -4.475 5.777 -1.917 1.00 31.52 H ATOM 200 HG23 VAL A 14 -6.114 6.427 -1.958 1.00 31.43 H ATOM 201 N CYS A 15 -2.512 6.909 0.258 1.00 23.13 N ATOM 202 CA CYS A 15 -1.665 5.844 0.782 1.00 73.31 C ATOM 203 C CYS A 15 -1.766 5.766 2.303 1.00 54.44 C ATOM 204 O CYS A 15 -1.237 4.845 2.925 1.00 22.21 O ATOM 205 CB CYS A 15 -0.210 6.070 0.367 1.00 20.15 C ATOM 206 SG CYS A 15 0.881 4.645 0.677 1.00 25.35 S ATOM 207 H CYS A 15 -2.092 7.716 -0.109 1.00 1.05 H ATOM 208 HA CYS A 15 -2.009 4.910 0.363 1.00 42.32 H ATOM 209 HB2 CYS A 15 -0.175 6.286 -0.691 1.00 25.35 H ATOM 210 HB3 CYS A 15 0.185 6.913 0.915 1.00 64.32 H ATOM 211 N LEU A 16 -2.450 6.740 2.895 1.00 61.44 N ATOM 212 CA LEU A 16 -2.622 6.783 4.343 1.00 65.54 C ATOM 213 C LEU A 16 -3.873 7.569 4.720 1.00 42.35 C ATOM 214 O LEU A 16 -3.793 8.603 5.383 1.00 40.51 O ATOM 215 CB LEU A 16 -1.393 7.410 5.003 1.00 24.43 C ATOM 216 CG LEU A 16 -1.068 8.846 4.590 1.00 31.34 C ATOM 217 CD1 LEU A 16 -0.482 9.618 5.762 1.00 42.32 C ATOM 218 CD2 LEU A 16 -0.110 8.857 3.408 1.00 3.24 C ATOM 219 H LEU A 16 -2.849 7.446 2.346 1.00 1.20 H ATOM 220 HA LEU A 16 -2.730 5.767 4.694 1.00 51.14 H ATOM 221 HB2 LEU A 16 -1.550 7.400 6.071 1.00 53.42 H ATOM 222 HB3 LEU A 16 -0.538 6.794 4.762 1.00 60.40 H ATOM 223 HG LEU A 16 -1.980 9.341 4.287 1.00 11.45 H ATOM 224 HD11 LEU A 16 -1.248 9.781 6.505 1.00 44.42 H ATOM 225 HD12 LEU A 16 -0.109 10.570 5.414 1.00 5.33 H ATOM 226 HD13 LEU A 16 0.328 9.052 6.197 1.00 24.32 H ATOM 227 HD21 LEU A 16 -0.379 9.657 2.734 1.00 20.45 H ATOM 228 HD22 LEU A 16 -0.169 7.912 2.889 1.00 42.33 H ATOM 229 HD23 LEU A 16 0.899 9.010 3.764 1.00 20.54 H ATOM 230 N LYS A 17 -5.029 7.072 4.294 1.00 61.51 N ATOM 231 CA LYS A 17 -6.299 7.725 4.589 1.00 64.21 C ATOM 232 C LYS A 17 -6.377 8.123 6.059 1.00 31.54 C ATOM 233 O LYS A 17 -7.097 9.053 6.425 1.00 71.53 O ATOM 234 CB LYS A 17 -7.466 6.799 4.237 1.00 44.41 C ATOM 235 CG LYS A 17 -7.433 5.472 4.975 1.00 55.22 C ATOM 236 CD LYS A 17 -8.546 5.381 6.006 1.00 24.51 C ATOM 237 CE LYS A 17 -8.818 3.938 6.405 1.00 12.32 C ATOM 238 NZ LYS A 17 -8.124 3.572 7.670 1.00 5.25 N ATOM 239 H LYS A 17 -5.028 6.243 3.769 1.00 51.32 H ATOM 240 HA LYS A 17 -6.362 8.616 3.983 1.00 3.14 H ATOM 241 HB2 LYS A 17 -8.392 7.300 4.479 1.00 63.22 H ATOM 242 HB3 LYS A 17 -7.442 6.598 3.176 1.00 61.14 H ATOM 243 HG2 LYS A 17 -7.552 4.671 4.261 1.00 33.30 H ATOM 244 HG3 LYS A 17 -6.481 5.372 5.476 1.00 40.41 H ATOM 245 HD2 LYS A 17 -8.256 5.937 6.885 1.00 34.34 H ATOM 246 HD3 LYS A 17 -9.447 5.806 5.589 1.00 14.21 H ATOM 247 HE2 LYS A 17 -9.881 3.810 6.538 1.00 14.22 H ATOM 248 HE3 LYS A 17 -8.474 3.289 5.614 1.00 24.31 H ATOM 249 HZ1 LYS A 17 -8.746 3.748 8.484 1.00 14.53 H ATOM 250 HZ2 LYS A 17 -7.259 4.139 7.780 1.00 44.41 H ATOM 251 HZ3 LYS A 17 -7.864 2.565 7.657 1.00 15.23 H ATOM 252 N THR A 18 -5.631 7.413 6.900 1.00 3.35 N ATOM 253 CA THR A 18 -5.616 7.693 8.331 1.00 63.52 C ATOM 254 C THR A 18 -4.694 8.863 8.653 1.00 63.02 C ATOM 255 O THR A 18 -4.089 8.914 9.725 1.00 54.14 O ATOM 256 CB THR A 18 -5.165 6.461 9.139 1.00 42.11 C ATOM 257 OG1 THR A 18 -5.426 6.667 10.532 1.00 74.53 O ATOM 258 CG2 THR A 18 -3.682 6.190 8.931 1.00 54.43 C ATOM 259 H THR A 18 -5.078 6.684 6.549 1.00 1.50 H ATOM 260 HA THR A 18 -6.622 7.946 8.632 1.00 61.13 H ATOM 261 HB THR A 18 -5.724 5.601 8.798 1.00 0.42 H ATOM 262 HG1 THR A 18 -5.627 5.824 10.947 1.00 14.42 H ATOM 263 HG21 THR A 18 -3.331 6.751 8.078 1.00 2.40 H ATOM 264 HG22 THR A 18 -3.530 5.136 8.755 1.00 71.22 H ATOM 265 HG23 THR A 18 -3.134 6.492 9.811 1.00 34.30 H ATOM 266 N CYS A 19 -4.590 9.803 7.719 1.00 30.31 N ATOM 267 CA CYS A 19 -3.742 10.974 7.903 1.00 24.11 C ATOM 268 C CYS A 19 -4.011 11.634 9.252 1.00 11.32 C ATOM 269 O CYS A 19 -3.665 12.796 9.465 1.00 1.33 O ATOM 270 CB CYS A 19 -3.974 11.981 6.775 1.00 73.53 C ATOM 271 SG CYS A 19 -2.492 12.335 5.777 1.00 61.32 S ATOM 272 H CYS A 19 -5.097 9.706 6.885 1.00 43.22 H ATOM 273 HA CYS A 19 -2.713 10.647 7.875 1.00 35.35 H ATOM 274 HB2 CYS A 19 -4.733 11.594 6.109 1.00 3.51 H ATOM 275 HB3 CYS A 19 -4.316 12.913 7.199 1.00 31.11 H TER 276 CYS A 19 ENDMDL MODEL 18 ATOM 1 N ASP A 1 -0.889 1.300 0.596 1.00 34.23 N ATOM 2 CA ASP A 1 -0.892 1.110 -0.850 1.00 32.14 C ATOM 3 C ASP A 1 -0.763 2.447 -1.573 1.00 71.44 C ATOM 4 O ASP A 1 -1.760 3.113 -1.851 1.00 14.41 O ATOM 5 CB ASP A 1 -2.173 0.399 -1.290 1.00 0.24 C ATOM 6 CG ASP A 1 -2.536 -0.756 -0.378 1.00 34.31 C ATOM 7 OD1 ASP A 1 -3.246 -0.522 0.623 1.00 24.23 O ATOM 8 OD2 ASP A 1 -2.112 -1.895 -0.666 1.00 13.21 O ATOM 9 H1 ASP A 1 -0.387 0.674 1.160 1.00 52.22 H ATOM 10 HA ASP A 1 -0.044 0.493 -1.105 1.00 4.42 H ATOM 11 HB2 ASP A 1 -2.989 1.107 -1.286 1.00 34.24 H ATOM 12 HB3 ASP A 1 -2.039 0.016 -2.291 1.00 3.44 H ATOM 13 N CYS A 2 0.472 2.833 -1.876 1.00 12.03 N ATOM 14 CA CYS A 2 0.733 4.090 -2.566 1.00 12.53 C ATOM 15 C CYS A 2 0.810 3.877 -4.075 1.00 2.13 C ATOM 16 O CYS A 2 1.136 2.792 -4.557 1.00 54.35 O ATOM 17 CB CYS A 2 2.036 4.713 -2.060 1.00 73.00 C ATOM 18 SG CYS A 2 2.201 4.721 -0.246 1.00 13.51 S ATOM 19 H CYS A 2 1.227 2.258 -1.628 1.00 42.23 H ATOM 20 HA CYS A 2 -0.084 4.763 -2.351 1.00 71.41 H ATOM 21 HB2 CYS A 2 2.871 4.158 -2.462 1.00 73.14 H ATOM 22 HB3 CYS A 2 2.093 5.736 -2.401 1.00 12.23 H ATOM 23 N PRO A 3 0.504 4.936 -4.838 1.00 44.54 N ATOM 24 CA PRO A 3 0.533 4.891 -6.303 1.00 72.23 C ATOM 25 C PRO A 3 1.951 4.781 -6.853 1.00 20.44 C ATOM 26 O PRO A 3 2.936 4.965 -6.137 1.00 13.40 O ATOM 27 CB PRO A 3 -0.097 6.225 -6.712 1.00 62.11 C ATOM 28 CG PRO A 3 0.152 7.131 -5.556 1.00 51.01 C ATOM 29 CD PRO A 3 0.108 6.261 -4.331 1.00 20.43 C ATOM 30 HA PRO A 3 -0.065 4.076 -6.687 1.00 4.55 H ATOM 31 HB2 PRO A 3 0.380 6.590 -7.611 1.00 55.11 H ATOM 32 HB3 PRO A 3 -1.153 6.090 -6.887 1.00 75.32 H ATOM 33 HG2 PRO A 3 1.123 7.593 -5.654 1.00 34.24 H ATOM 34 HG3 PRO A 3 -0.620 7.884 -5.508 1.00 14.41 H ATOM 35 HD2 PRO A 3 0.810 6.616 -3.590 1.00 75.43 H ATOM 36 HD3 PRO A 3 -0.892 6.233 -3.923 1.00 62.01 H ATOM 37 N PRO A 4 2.060 4.473 -8.153 1.00 65.25 N ATOM 38 CA PRO A 4 3.355 4.332 -8.828 1.00 14.35 C ATOM 39 C PRO A 4 4.076 5.667 -8.982 1.00 73.10 C ATOM 40 O PRO A 4 5.261 5.784 -8.669 1.00 31.44 O ATOM 41 CB PRO A 4 2.980 3.765 -10.199 1.00 24.30 C ATOM 42 CG PRO A 4 1.577 4.211 -10.423 1.00 71.15 C ATOM 43 CD PRO A 4 0.929 4.239 -9.067 1.00 22.23 C ATOM 44 HA PRO A 4 3.997 3.635 -8.311 1.00 25.24 H ATOM 45 HB2 PRO A 4 3.648 4.163 -10.950 1.00 54.24 H ATOM 46 HB3 PRO A 4 3.054 2.688 -10.179 1.00 73.22 H ATOM 47 HG2 PRO A 4 1.571 5.197 -10.862 1.00 73.14 H ATOM 48 HG3 PRO A 4 1.067 3.509 -11.067 1.00 65.10 H ATOM 49 HD2 PRO A 4 0.213 5.044 -9.007 1.00 55.41 H ATOM 50 HD3 PRO A 4 0.454 3.292 -8.856 1.00 11.12 H ATOM 51 N HIS A 5 3.353 6.672 -9.467 1.00 4.14 N ATOM 52 CA HIS A 5 3.925 8.000 -9.662 1.00 32.24 C ATOM 53 C HIS A 5 3.264 9.017 -8.736 1.00 51.02 C ATOM 54 O HIS A 5 2.138 8.832 -8.274 1.00 20.14 O ATOM 55 CB HIS A 5 3.765 8.438 -11.118 1.00 1.24 C ATOM 56 CG HIS A 5 2.435 8.082 -11.708 1.00 3.42 C ATOM 57 ND1 HIS A 5 1.278 8.779 -11.431 1.00 2.25 N ATOM 58 CD2 HIS A 5 2.083 7.097 -12.566 1.00 51.25 C ATOM 59 CE1 HIS A 5 0.271 8.237 -12.092 1.00 22.03 C ATOM 60 NE2 HIS A 5 0.733 7.215 -12.789 1.00 71.31 N ATOM 61 H HIS A 5 2.414 6.517 -9.698 1.00 40.20 H ATOM 62 HA HIS A 5 4.976 7.946 -9.424 1.00 45.33 H ATOM 63 HB2 HIS A 5 3.878 9.511 -11.178 1.00 60.42 H ATOM 64 HB3 HIS A 5 4.531 7.966 -11.715 1.00 64.13 H ATOM 65 HD1 HIS A 5 1.206 9.555 -10.836 1.00 74.52 H ATOM 66 HD2 HIS A 5 2.741 6.355 -12.997 1.00 12.20 H ATOM 67 HE1 HIS A 5 -0.755 8.572 -12.067 1.00 41.13 H ATOM 68 N PRO A 6 3.979 10.117 -8.458 1.00 52.34 N ATOM 69 CA PRO A 6 3.481 11.185 -7.586 1.00 4.20 C ATOM 70 C PRO A 6 2.339 11.969 -8.223 1.00 1.31 C ATOM 71 O PRO A 6 2.540 13.067 -8.743 1.00 64.21 O ATOM 72 CB PRO A 6 4.705 12.085 -7.393 1.00 70.51 C ATOM 73 CG PRO A 6 5.546 11.843 -8.599 1.00 2.43 C ATOM 74 CD PRO A 6 5.328 10.404 -8.975 1.00 33.00 C ATOM 75 HA PRO A 6 3.162 10.799 -6.629 1.00 52.21 H ATOM 76 HB2 PRO A 6 4.390 13.117 -7.330 1.00 71.41 H ATOM 77 HB3 PRO A 6 5.223 11.805 -6.488 1.00 71.42 H ATOM 78 HG2 PRO A 6 5.232 12.493 -9.402 1.00 20.34 H ATOM 79 HG3 PRO A 6 6.586 12.014 -8.361 1.00 13.42 H ATOM 80 HD2 PRO A 6 5.363 10.285 -10.048 1.00 22.33 H ATOM 81 HD3 PRO A 6 6.064 9.774 -8.499 1.00 21.53 H ATOM 82 N VAL A 7 1.139 11.399 -8.178 1.00 41.34 N ATOM 83 CA VAL A 7 -0.036 12.046 -8.750 1.00 31.01 C ATOM 84 C VAL A 7 -1.302 11.648 -8.000 1.00 30.44 C ATOM 85 O VAL A 7 -2.093 10.823 -8.460 1.00 3.55 O ATOM 86 CB VAL A 7 -0.203 11.692 -10.240 1.00 4.13 C ATOM 87 CG1 VAL A 7 -1.439 12.367 -10.814 1.00 42.20 C ATOM 88 CG2 VAL A 7 1.041 12.085 -11.022 1.00 64.53 C ATOM 89 H VAL A 7 1.042 10.523 -7.750 1.00 53.32 H ATOM 90 HA VAL A 7 0.098 13.115 -8.668 1.00 70.12 H ATOM 91 HB VAL A 7 -0.332 10.623 -10.323 1.00 12.13 H ATOM 92 HG11 VAL A 7 -1.152 12.999 -11.642 1.00 63.41 H ATOM 93 HG12 VAL A 7 -2.134 11.615 -11.157 1.00 64.32 H ATOM 94 HG13 VAL A 7 -1.908 12.969 -10.050 1.00 20.05 H ATOM 95 HG21 VAL A 7 1.862 11.443 -10.740 1.00 25.15 H ATOM 96 HG22 VAL A 7 0.849 11.979 -12.080 1.00 13.05 H ATOM 97 HG23 VAL A 7 1.296 13.112 -10.804 1.00 32.32 H ATOM 98 N PRO A 8 -1.501 12.246 -6.816 1.00 32.22 N ATOM 99 CA PRO A 8 -2.671 11.970 -5.976 1.00 62.02 C ATOM 100 C PRO A 8 -3.960 12.517 -6.580 1.00 62.11 C ATOM 101 O PRO A 8 -3.979 12.965 -7.726 1.00 3.24 O ATOM 102 CB PRO A 8 -2.345 12.692 -4.666 1.00 54.13 C ATOM 103 CG PRO A 8 -1.405 13.779 -5.057 1.00 2.43 C ATOM 104 CD PRO A 8 -0.600 13.238 -6.206 1.00 12.11 C ATOM 105 HA PRO A 8 -2.783 10.912 -5.788 1.00 14.31 H ATOM 106 HB2 PRO A 8 -3.254 13.090 -4.236 1.00 60.14 H ATOM 107 HB3 PRO A 8 -1.886 12.002 -3.975 1.00 64.12 H ATOM 108 HG2 PRO A 8 -1.960 14.652 -5.366 1.00 30.13 H ATOM 109 HG3 PRO A 8 -0.757 14.020 -4.226 1.00 72.45 H ATOM 110 HD2 PRO A 8 -0.364 14.026 -6.906 1.00 11.14 H ATOM 111 HD3 PRO A 8 0.303 12.768 -5.846 1.00 31.33 H ATOM 112 N GLY A 9 -5.037 12.477 -5.801 1.00 4.20 N ATOM 113 CA GLY A 9 -6.315 12.972 -6.277 1.00 11.43 C ATOM 114 C GLY A 9 -6.975 13.916 -5.291 1.00 23.25 C ATOM 115 O GLY A 9 -6.312 14.767 -4.698 1.00 14.01 O ATOM 116 H GLY A 9 -4.962 12.108 -4.896 1.00 11.52 H ATOM 117 HA2 GLY A 9 -6.162 13.493 -7.210 1.00 53.02 H ATOM 118 HA3 GLY A 9 -6.972 12.132 -6.448 1.00 13.41 H ATOM 119 N MET A 10 -8.284 13.766 -5.115 1.00 65.14 N ATOM 120 CA MET A 10 -9.033 14.613 -4.194 1.00 62.53 C ATOM 121 C MET A 10 -8.383 14.622 -2.814 1.00 51.42 C ATOM 122 O MET A 10 -8.477 15.606 -2.080 1.00 12.42 O ATOM 123 CB MET A 10 -10.480 14.129 -4.086 1.00 32.10 C ATOM 124 CG MET A 10 -10.606 12.628 -3.879 1.00 44.14 C ATOM 125 SD MET A 10 -11.343 11.791 -5.296 1.00 13.31 S ATOM 126 CE MET A 10 -13.081 12.127 -5.020 1.00 20.40 C ATOM 127 H MET A 10 -8.757 13.069 -5.616 1.00 51.35 H ATOM 128 HA MET A 10 -9.027 15.617 -4.589 1.00 52.31 H ATOM 129 HB2 MET A 10 -10.952 14.626 -3.252 1.00 1.04 H ATOM 130 HB3 MET A 10 -11.004 14.390 -4.993 1.00 42.15 H ATOM 131 HG2 MET A 10 -9.621 12.218 -3.710 1.00 73.41 H ATOM 132 HG3 MET A 10 -11.222 12.449 -3.011 1.00 72.11 H ATOM 133 HE1 MET A 10 -13.184 12.902 -4.275 1.00 4.04 H ATOM 134 HE2 MET A 10 -13.536 12.453 -5.944 1.00 30.55 H ATOM 135 HE3 MET A 10 -13.570 11.228 -4.675 1.00 33.20 H ATOM 136 N HIS A 11 -7.724 13.521 -2.467 1.00 52.22 N ATOM 137 CA HIS A 11 -7.059 13.404 -1.175 1.00 25.13 C ATOM 138 C HIS A 11 -5.630 12.895 -1.343 1.00 73.44 C ATOM 139 O HIS A 11 -5.411 11.737 -1.700 1.00 63.14 O ATOM 140 CB HIS A 11 -7.842 12.465 -0.257 1.00 52.10 C ATOM 141 CG HIS A 11 -9.315 12.736 -0.239 1.00 51.34 C ATOM 142 ND1 HIS A 11 -9.848 13.981 0.020 1.00 10.25 N ATOM 143 CD2 HIS A 11 -10.369 11.915 -0.453 1.00 72.52 C ATOM 144 CE1 HIS A 11 -11.166 13.913 -0.032 1.00 53.14 C ATOM 145 NE2 HIS A 11 -11.508 12.670 -0.319 1.00 31.23 N ATOM 146 H HIS A 11 -7.684 12.770 -3.095 1.00 55.44 H ATOM 147 HA HIS A 11 -7.027 14.386 -0.728 1.00 24.02 H ATOM 148 HB2 HIS A 11 -7.697 11.447 -0.586 1.00 61.31 H ATOM 149 HB3 HIS A 11 -7.473 12.568 0.753 1.00 1.12 H ATOM 150 HD1 HIS A 11 -9.336 14.793 0.216 1.00 13.23 H ATOM 151 HD2 HIS A 11 -10.324 10.860 -0.686 1.00 61.20 H ATOM 152 HE1 HIS A 11 -11.849 14.734 0.130 1.00 61.30 H ATOM 153 N LYS A 12 -4.662 13.767 -1.085 1.00 61.20 N ATOM 154 CA LYS A 12 -3.254 13.406 -1.207 1.00 53.54 C ATOM 155 C LYS A 12 -2.875 12.340 -0.185 1.00 61.22 C ATOM 156 O LYS A 12 -1.827 11.704 -0.297 1.00 25.53 O ATOM 157 CB LYS A 12 -2.372 14.643 -1.021 1.00 51.03 C ATOM 158 CG LYS A 12 -2.670 15.757 -2.009 1.00 53.35 C ATOM 159 CD LYS A 12 -2.179 17.101 -1.499 1.00 43.53 C ATOM 160 CE LYS A 12 -0.934 17.559 -2.244 1.00 50.11 C ATOM 161 NZ LYS A 12 -1.200 17.764 -3.695 1.00 63.30 N ATOM 162 H LYS A 12 -4.900 14.676 -0.804 1.00 61.31 H ATOM 163 HA LYS A 12 -3.098 13.009 -2.199 1.00 14.40 H ATOM 164 HB2 LYS A 12 -2.518 15.027 -0.023 1.00 4.35 H ATOM 165 HB3 LYS A 12 -1.338 14.353 -1.139 1.00 43.41 H ATOM 166 HG2 LYS A 12 -2.178 15.538 -2.945 1.00 71.22 H ATOM 167 HG3 LYS A 12 -3.738 15.811 -2.166 1.00 74.42 H ATOM 168 HD2 LYS A 12 -2.958 17.836 -1.638 1.00 3.41 H ATOM 169 HD3 LYS A 12 -1.947 17.014 -0.447 1.00 44.32 H ATOM 170 HE2 LYS A 12 -0.595 18.489 -1.814 1.00 42.04 H ATOM 171 HE3 LYS A 12 -0.166 16.808 -2.130 1.00 1.43 H ATOM 172 HZ1 LYS A 12 -2.174 18.099 -3.836 1.00 61.24 H ATOM 173 HZ2 LYS A 12 -1.074 16.869 -4.211 1.00 4.24 H ATOM 174 HZ3 LYS A 12 -0.542 18.470 -4.083 1.00 21.44 H ATOM 175 N CYS A 13 -3.734 12.148 0.810 1.00 54.11 N ATOM 176 CA CYS A 13 -3.490 11.158 1.852 1.00 74.24 C ATOM 177 C CYS A 13 -4.156 9.829 1.505 1.00 22.14 C ATOM 178 O CYS A 13 -4.628 9.110 2.386 1.00 11.44 O ATOM 179 CB CYS A 13 -4.010 11.665 3.198 1.00 2.14 C ATOM 180 SG CYS A 13 -2.974 12.958 3.956 1.00 44.04 S ATOM 181 H CYS A 13 -4.554 12.686 0.845 1.00 44.40 H ATOM 182 HA CYS A 13 -2.424 11.005 1.921 1.00 33.03 H ATOM 183 HB2 CYS A 13 -4.999 12.076 3.062 1.00 14.40 H ATOM 184 HB3 CYS A 13 -4.062 10.838 3.890 1.00 22.43 H ATOM 185 N VAL A 14 -4.189 9.508 0.216 1.00 50.33 N ATOM 186 CA VAL A 14 -4.795 8.266 -0.248 1.00 23.32 C ATOM 187 C VAL A 14 -4.077 7.054 0.335 1.00 33.44 C ATOM 188 O VAL A 14 -4.712 6.098 0.781 1.00 34.45 O ATOM 189 CB VAL A 14 -4.774 8.170 -1.785 1.00 1.50 C ATOM 190 CG1 VAL A 14 -3.360 8.361 -2.313 1.00 31.12 C ATOM 191 CG2 VAL A 14 -5.348 6.839 -2.244 1.00 32.54 C ATOM 192 H VAL A 14 -3.796 10.122 -0.439 1.00 60.15 H ATOM 193 HA VAL A 14 -5.825 8.254 0.079 1.00 45.13 H ATOM 194 HB VAL A 14 -5.392 8.961 -2.183 1.00 15.41 H ATOM 195 HG11 VAL A 14 -2.786 8.939 -1.603 1.00 53.25 H ATOM 196 HG12 VAL A 14 -2.895 7.396 -2.453 1.00 42.20 H ATOM 197 HG13 VAL A 14 -3.396 8.884 -3.257 1.00 52.30 H ATOM 198 HG21 VAL A 14 -6.364 6.744 -1.891 1.00 73.41 H ATOM 199 HG22 VAL A 14 -5.335 6.794 -3.322 1.00 40.24 H ATOM 200 HG23 VAL A 14 -4.752 6.032 -1.843 1.00 64.40 H ATOM 201 N CYS A 15 -2.749 7.100 0.329 1.00 33.44 N ATOM 202 CA CYS A 15 -1.943 6.006 0.858 1.00 73.33 C ATOM 203 C CYS A 15 -2.049 5.937 2.379 1.00 41.45 C ATOM 204 O CYS A 15 -1.555 4.999 3.005 1.00 45.01 O ATOM 205 CB CYS A 15 -0.480 6.176 0.444 1.00 12.43 C ATOM 206 SG CYS A 15 0.557 4.713 0.760 1.00 24.13 S ATOM 207 H CYS A 15 -2.299 7.889 -0.040 1.00 15.21 H ATOM 208 HA CYS A 15 -2.321 5.084 0.441 1.00 3.14 H ATOM 209 HB2 CYS A 15 -0.436 6.387 -0.614 1.00 43.34 H ATOM 210 HB3 CYS A 15 -0.055 7.006 0.989 1.00 24.13 H ATOM 211 N LEU A 16 -2.697 6.937 2.966 1.00 5.33 N ATOM 212 CA LEU A 16 -2.868 6.992 4.414 1.00 31.40 C ATOM 213 C LEU A 16 -4.090 7.825 4.787 1.00 42.44 C ATOM 214 O LEU A 16 -3.973 8.858 5.446 1.00 4.34 O ATOM 215 CB LEU A 16 -1.618 7.575 5.074 1.00 44.20 C ATOM 216 CG LEU A 16 -1.240 8.997 4.657 1.00 61.01 C ATOM 217 CD1 LEU A 16 -0.629 9.752 5.827 1.00 23.00 C ATOM 218 CD2 LEU A 16 -0.279 8.969 3.477 1.00 1.23 C ATOM 219 H LEU A 16 -3.069 7.656 2.415 1.00 44.42 H ATOM 220 HA LEU A 16 -3.015 5.982 4.768 1.00 5.13 H ATOM 221 HB2 LEU A 16 -1.777 7.575 6.141 1.00 4.23 H ATOM 222 HB3 LEU A 16 -0.786 6.927 4.836 1.00 40.34 H ATOM 223 HG LEU A 16 -2.133 9.524 4.350 1.00 44.42 H ATOM 224 HD11 LEU A 16 -1.390 9.948 6.566 1.00 34.44 H ATOM 225 HD12 LEU A 16 -0.218 10.687 5.477 1.00 52.43 H ATOM 226 HD13 LEU A 16 0.158 9.157 6.268 1.00 73.11 H ATOM 227 HD21 LEU A 16 -0.210 9.957 3.046 1.00 71.42 H ATOM 228 HD22 LEU A 16 -0.642 8.275 2.734 1.00 54.32 H ATOM 229 HD23 LEU A 16 0.698 8.655 3.816 1.00 33.41 H ATOM 230 N LYS A 17 -5.263 7.369 4.362 1.00 51.25 N ATOM 231 CA LYS A 17 -6.508 8.070 4.653 1.00 71.13 C ATOM 232 C LYS A 17 -6.573 8.476 6.122 1.00 73.14 C ATOM 233 O LYS A 17 -7.259 9.433 6.483 1.00 45.45 O ATOM 234 CB LYS A 17 -7.708 7.187 4.303 1.00 71.01 C ATOM 235 CG LYS A 17 -7.726 5.862 5.046 1.00 44.23 C ATOM 236 CD LYS A 17 -7.709 4.684 4.086 1.00 52.42 C ATOM 237 CE LYS A 17 -6.876 3.534 4.629 1.00 5.11 C ATOM 238 NZ LYS A 17 -7.506 2.908 5.824 1.00 74.22 N ATOM 239 H LYS A 17 -5.292 6.540 3.839 1.00 34.44 H ATOM 240 HA LYS A 17 -6.538 8.961 4.044 1.00 63.32 H ATOM 241 HB2 LYS A 17 -8.615 7.722 4.542 1.00 53.00 H ATOM 242 HB3 LYS A 17 -7.691 6.981 3.242 1.00 20.33 H ATOM 243 HG2 LYS A 17 -6.856 5.805 5.683 1.00 44.41 H ATOM 244 HG3 LYS A 17 -8.620 5.810 5.650 1.00 55.44 H ATOM 245 HD2 LYS A 17 -8.721 4.340 3.934 1.00 14.14 H ATOM 246 HD3 LYS A 17 -7.292 5.006 3.142 1.00 5.12 H ATOM 247 HE2 LYS A 17 -6.768 2.788 3.857 1.00 52.23 H ATOM 248 HE3 LYS A 17 -5.901 3.911 4.903 1.00 12.21 H ATOM 249 HZ1 LYS A 17 -7.460 3.557 6.635 1.00 42.14 H ATOM 250 HZ2 LYS A 17 -7.010 2.027 6.069 1.00 11.22 H ATOM 251 HZ3 LYS A 17 -8.503 2.687 5.627 1.00 72.21 H ATOM 252 N THR A 18 -5.855 7.743 6.966 1.00 24.52 N ATOM 253 CA THR A 18 -5.831 8.026 8.395 1.00 4.44 C ATOM 254 C THR A 18 -4.866 9.163 8.714 1.00 12.11 C ATOM 255 O THR A 18 -4.261 9.196 9.786 1.00 33.42 O ATOM 256 CB THR A 18 -5.426 6.782 9.209 1.00 54.24 C ATOM 257 OG1 THR A 18 -5.681 7.003 10.600 1.00 33.54 O ATOM 258 CG2 THR A 18 -3.955 6.456 9.003 1.00 60.32 C ATOM 259 H THR A 18 -5.329 6.992 6.618 1.00 0.30 H ATOM 260 HA THR A 18 -6.827 8.318 8.694 1.00 31.13 H ATOM 261 HB THR A 18 -6.017 5.943 8.871 1.00 60.43 H ATOM 262 HG1 THR A 18 -6.586 7.302 10.717 1.00 74.43 H ATOM 263 HG21 THR A 18 -3.842 5.396 8.833 1.00 73.33 H ATOM 264 HG22 THR A 18 -3.397 6.740 9.882 1.00 5.23 H ATOM 265 HG23 THR A 18 -3.582 6.999 8.148 1.00 41.54 H ATOM 266 N CYS A 19 -4.727 10.095 7.777 1.00 13.12 N ATOM 267 CA CYS A 19 -3.836 11.235 7.958 1.00 73.22 C ATOM 268 C CYS A 19 -4.082 11.909 9.304 1.00 11.44 C ATOM 269 O CYS A 19 -3.142 12.208 10.041 1.00 63.33 O ATOM 270 CB CYS A 19 -4.031 12.245 6.826 1.00 42.33 C ATOM 271 SG CYS A 19 -2.535 12.542 5.829 1.00 11.41 S ATOM 272 H CYS A 19 -5.237 10.014 6.943 1.00 44.42 H ATOM 273 HA CYS A 19 -2.821 10.870 7.932 1.00 21.32 H ATOM 274 HB2 CYS A 19 -4.802 11.885 6.160 1.00 23.42 H ATOM 275 HB3 CYS A 19 -4.339 13.191 7.246 1.00 34.25 H TER 276 CYS A 19 ENDMDL MODEL 19 ATOM 1 N ASP A 1 -0.082 -0.027 -1.827 1.00 51.34 N ATOM 2 CA ASP A 1 -0.594 0.982 -0.907 1.00 22.12 C ATOM 3 C ASP A 1 -0.581 2.364 -1.553 1.00 25.13 C ATOM 4 O ASP A 1 -1.631 2.961 -1.788 1.00 14.24 O ATOM 5 CB ASP A 1 0.236 0.998 0.378 1.00 34.12 C ATOM 6 CG ASP A 1 1.693 0.660 0.131 1.00 13.10 C ATOM 7 OD1 ASP A 1 2.455 1.569 -0.260 1.00 10.24 O ATOM 8 OD2 ASP A 1 2.071 -0.513 0.329 1.00 61.20 O ATOM 9 H1 ASP A 1 0.649 0.209 -2.437 1.00 21.25 H ATOM 10 HA ASP A 1 -1.613 0.722 -0.663 1.00 42.12 H ATOM 11 HB2 ASP A 1 0.184 1.982 0.820 1.00 11.43 H ATOM 12 HB3 ASP A 1 -0.171 0.275 1.070 1.00 2.22 H ATOM 13 N CYS A 2 0.616 2.867 -1.837 1.00 0.23 N ATOM 14 CA CYS A 2 0.767 4.179 -2.454 1.00 4.21 C ATOM 15 C CYS A 2 0.621 4.087 -3.970 1.00 15.40 C ATOM 16 O CYS A 2 0.875 3.050 -4.582 1.00 30.34 O ATOM 17 CB CYS A 2 2.129 4.779 -2.098 1.00 11.42 C ATOM 18 SG CYS A 2 2.553 4.664 -0.330 1.00 11.31 S ATOM 19 H CYS A 2 1.418 2.343 -1.626 1.00 11.14 H ATOM 20 HA CYS A 2 -0.011 4.820 -2.067 1.00 63.34 H ATOM 21 HB2 CYS A 2 2.898 4.263 -2.653 1.00 71.45 H ATOM 22 HB3 CYS A 2 2.136 5.824 -2.371 1.00 13.33 H ATOM 23 N PRO A 3 0.200 5.199 -4.592 1.00 22.00 N ATOM 24 CA PRO A 3 0.011 5.270 -6.044 1.00 14.11 C ATOM 25 C PRO A 3 1.332 5.227 -6.804 1.00 31.42 C ATOM 26 O PRO A 3 2.411 5.379 -6.231 1.00 32.05 O ATOM 27 CB PRO A 3 -0.678 6.622 -6.246 1.00 12.02 C ATOM 28 CG PRO A 3 -0.264 7.438 -5.070 1.00 31.41 C ATOM 29 CD PRO A 3 -0.122 6.472 -3.926 1.00 3.21 C ATOM 30 HA PRO A 3 -0.634 4.479 -6.399 1.00 2.20 H ATOM 31 HB2 PRO A 3 -0.342 7.065 -7.173 1.00 34.00 H ATOM 32 HB3 PRO A 3 -1.749 6.484 -6.273 1.00 44.22 H ATOM 33 HG2 PRO A 3 0.679 7.921 -5.272 1.00 44.13 H ATOM 34 HG3 PRO A 3 -1.024 8.172 -4.847 1.00 42.34 H ATOM 35 HD2 PRO A 3 0.681 6.779 -3.271 1.00 74.42 H ATOM 36 HD3 PRO A 3 -1.050 6.396 -3.379 1.00 2.25 H ATOM 37 N PRO A 4 1.249 5.014 -8.126 1.00 15.34 N ATOM 38 CA PRO A 4 2.429 4.947 -8.993 1.00 13.05 C ATOM 39 C PRO A 4 3.107 6.303 -9.154 1.00 64.00 C ATOM 40 O PRO A 4 4.324 6.383 -9.327 1.00 21.20 O ATOM 41 CB PRO A 4 1.859 4.471 -10.331 1.00 52.52 C ATOM 42 CG PRO A 4 0.434 4.905 -10.312 1.00 12.32 C ATOM 43 CD PRO A 4 -0.004 4.824 -8.876 1.00 13.23 C ATOM 44 HA PRO A 4 3.147 4.227 -8.629 1.00 44.11 H ATOM 45 HB2 PRO A 4 2.403 4.935 -11.142 1.00 51.20 H ATOM 46 HB3 PRO A 4 1.943 3.397 -10.401 1.00 43.54 H ATOM 47 HG2 PRO A 4 0.354 5.920 -10.672 1.00 32.24 H ATOM 48 HG3 PRO A 4 -0.160 4.241 -10.922 1.00 50.24 H ATOM 49 HD2 PRO A 4 -0.711 5.610 -8.652 1.00 21.43 H ATOM 50 HD3 PRO A 4 -0.435 3.856 -8.667 1.00 22.14 H ATOM 51 N HIS A 5 2.314 7.368 -9.096 1.00 74.42 N ATOM 52 CA HIS A 5 2.839 8.721 -9.235 1.00 52.31 C ATOM 53 C HIS A 5 2.551 9.547 -7.985 1.00 21.45 C ATOM 54 O HIS A 5 1.606 9.283 -7.241 1.00 21.32 O ATOM 55 CB HIS A 5 2.231 9.403 -10.461 1.00 44.33 C ATOM 56 CG HIS A 5 0.778 9.100 -10.657 1.00 32.12 C ATOM 57 ND1 HIS A 5 -0.215 9.627 -9.858 1.00 51.24 N ATOM 58 CD2 HIS A 5 0.151 8.320 -11.568 1.00 61.41 C ATOM 59 CE1 HIS A 5 -1.390 9.183 -10.269 1.00 64.10 C ATOM 60 NE2 HIS A 5 -1.195 8.388 -11.306 1.00 31.13 N ATOM 61 H HIS A 5 1.352 7.240 -8.956 1.00 63.23 H ATOM 62 HA HIS A 5 3.908 8.650 -9.366 1.00 52.32 H ATOM 63 HB2 HIS A 5 2.335 10.473 -10.358 1.00 44.42 H ATOM 64 HB3 HIS A 5 2.761 9.078 -11.345 1.00 51.44 H ATOM 65 HD1 HIS A 5 -0.079 10.235 -9.102 1.00 50.04 H ATOM 66 HD2 HIS A 5 0.622 7.748 -12.356 1.00 12.20 H ATOM 67 HE1 HIS A 5 -2.346 9.428 -9.832 1.00 52.05 H ATOM 68 N PRO A 6 3.385 10.570 -7.745 1.00 72.23 N ATOM 69 CA PRO A 6 3.240 11.454 -6.585 1.00 43.11 C ATOM 70 C PRO A 6 2.012 12.352 -6.690 1.00 31.52 C ATOM 71 O PRO A 6 1.654 13.044 -5.737 1.00 53.22 O ATOM 72 CB PRO A 6 4.520 12.293 -6.617 1.00 50.42 C ATOM 73 CG PRO A 6 4.945 12.282 -8.045 1.00 55.32 C ATOM 74 CD PRO A 6 4.532 10.942 -8.589 1.00 45.53 C ATOM 75 HA PRO A 6 3.198 10.894 -5.662 1.00 40.13 H ATOM 76 HB2 PRO A 6 4.304 13.296 -6.276 1.00 4.20 H ATOM 77 HB3 PRO A 6 5.266 11.843 -5.980 1.00 63.02 H ATOM 78 HG2 PRO A 6 4.446 13.075 -8.583 1.00 23.34 H ATOM 79 HG3 PRO A 6 6.016 12.399 -8.110 1.00 3.20 H ATOM 80 HD2 PRO A 6 4.238 11.030 -9.625 1.00 14.15 H ATOM 81 HD3 PRO A 6 5.336 10.229 -8.483 1.00 61.31 H ATOM 82 N VAL A 7 1.369 12.334 -7.853 1.00 44.24 N ATOM 83 CA VAL A 7 0.180 13.145 -8.082 1.00 13.52 C ATOM 84 C VAL A 7 -1.061 12.272 -8.229 1.00 51.01 C ATOM 85 O VAL A 7 -1.551 12.027 -9.332 1.00 11.33 O ATOM 86 CB VAL A 7 0.330 14.021 -9.340 1.00 63.33 C ATOM 87 CG1 VAL A 7 -0.925 14.849 -9.568 1.00 72.45 C ATOM 88 CG2 VAL A 7 1.555 14.915 -9.223 1.00 11.50 C ATOM 89 H VAL A 7 1.703 11.762 -8.575 1.00 62.41 H ATOM 90 HA VAL A 7 0.051 13.797 -7.229 1.00 73.44 H ATOM 91 HB VAL A 7 0.466 13.371 -10.192 1.00 73.41 H ATOM 92 HG11 VAL A 7 -0.668 15.898 -9.577 1.00 24.43 H ATOM 93 HG12 VAL A 7 -1.368 14.578 -10.516 1.00 32.23 H ATOM 94 HG13 VAL A 7 -1.631 14.658 -8.773 1.00 41.41 H ATOM 95 HG21 VAL A 7 2.399 14.434 -9.693 1.00 43.45 H ATOM 96 HG22 VAL A 7 1.359 15.858 -9.711 1.00 51.43 H ATOM 97 HG23 VAL A 7 1.776 15.090 -8.180 1.00 35.33 H ATOM 98 N PRO A 8 -1.584 11.790 -7.092 1.00 24.32 N ATOM 99 CA PRO A 8 -2.775 10.936 -7.067 1.00 52.35 C ATOM 100 C PRO A 8 -4.042 11.699 -7.441 1.00 61.31 C ATOM 101 O PRO A 8 -3.980 12.842 -7.892 1.00 20.24 O ATOM 102 CB PRO A 8 -2.844 10.465 -5.613 1.00 33.02 C ATOM 103 CG PRO A 8 -2.135 11.522 -4.838 1.00 73.41 C ATOM 104 CD PRO A 8 -1.051 12.041 -5.742 1.00 35.22 C ATOM 105 HA PRO A 8 -2.665 10.082 -7.720 1.00 1.34 H ATOM 106 HB2 PRO A 8 -3.878 10.377 -5.309 1.00 10.41 H ATOM 107 HB3 PRO A 8 -2.353 9.509 -5.517 1.00 21.53 H ATOM 108 HG2 PRO A 8 -2.823 12.314 -4.583 1.00 63.23 H ATOM 109 HG3 PRO A 8 -1.705 11.095 -3.944 1.00 61.54 H ATOM 110 HD2 PRO A 8 -0.898 13.097 -5.578 1.00 44.13 H ATOM 111 HD3 PRO A 8 -0.133 11.495 -5.582 1.00 74.34 H ATOM 112 N GLY A 9 -5.191 11.058 -7.250 1.00 71.45 N ATOM 113 CA GLY A 9 -6.456 11.691 -7.573 1.00 13.34 C ATOM 114 C GLY A 9 -6.828 12.780 -6.585 1.00 24.30 C ATOM 115 O GLY A 9 -6.006 13.635 -6.256 1.00 72.01 O ATOM 116 H GLY A 9 -5.180 10.147 -6.888 1.00 63.12 H ATOM 117 HA2 GLY A 9 -6.389 12.123 -8.560 1.00 11.10 H ATOM 118 HA3 GLY A 9 -7.233 10.940 -7.571 1.00 44.22 H ATOM 119 N MET A 10 -8.069 12.749 -6.112 1.00 73.11 N ATOM 120 CA MET A 10 -8.547 13.741 -5.156 1.00 54.34 C ATOM 121 C MET A 10 -7.785 13.639 -3.839 1.00 43.44 C ATOM 122 O MET A 10 -6.925 14.469 -3.543 1.00 4.42 O ATOM 123 CB MET A 10 -10.046 13.560 -4.907 1.00 22.32 C ATOM 124 CG MET A 10 -10.918 14.463 -5.763 1.00 54.10 C ATOM 125 SD MET A 10 -11.988 15.530 -4.780 1.00 14.45 S ATOM 126 CE MET A 10 -11.982 17.022 -5.771 1.00 3.34 C ATOM 127 H MET A 10 -8.679 12.042 -6.412 1.00 4.13 H ATOM 128 HA MET A 10 -8.378 14.719 -5.582 1.00 75.01 H ATOM 129 HB2 MET A 10 -10.312 12.534 -5.116 1.00 40.43 H ATOM 130 HB3 MET A 10 -10.255 13.773 -3.869 1.00 63.30 H ATOM 131 HG2 MET A 10 -10.281 15.083 -6.375 1.00 4.31 H ATOM 132 HG3 MET A 10 -11.535 13.846 -6.400 1.00 1.02 H ATOM 133 HE1 MET A 10 -12.261 17.865 -5.154 1.00 61.32 H ATOM 134 HE2 MET A 10 -10.993 17.183 -6.173 1.00 64.11 H ATOM 135 HE3 MET A 10 -12.688 16.919 -6.581 1.00 61.20 H ATOM 136 N HIS A 11 -8.105 12.617 -3.052 1.00 52.15 N ATOM 137 CA HIS A 11 -7.449 12.407 -1.767 1.00 13.13 C ATOM 138 C HIS A 11 -5.993 11.996 -1.960 1.00 60.44 C ATOM 139 O HIS A 11 -5.704 10.879 -2.392 1.00 12.31 O ATOM 140 CB HIS A 11 -8.190 11.340 -0.961 1.00 32.33 C ATOM 141 CG HIS A 11 -9.676 11.527 -0.943 1.00 31.52 C ATOM 142 ND1 HIS A 11 -10.283 12.696 -0.537 1.00 43.50 N ATOM 143 CD2 HIS A 11 -10.678 10.684 -1.286 1.00 35.05 C ATOM 144 CE1 HIS A 11 -11.594 12.565 -0.629 1.00 61.12 C ATOM 145 NE2 HIS A 11 -11.860 11.353 -1.081 1.00 73.25 N ATOM 146 H HIS A 11 -8.799 11.989 -3.344 1.00 3.23 H ATOM 147 HA HIS A 11 -7.478 13.340 -1.224 1.00 24.32 H ATOM 148 HB2 HIS A 11 -7.984 10.369 -1.386 1.00 65.24 H ATOM 149 HB3 HIS A 11 -7.840 11.361 0.061 1.00 2.52 H ATOM 150 HD1 HIS A 11 -9.821 13.502 -0.226 1.00 42.41 H ATOM 151 HD2 HIS A 11 -10.570 9.672 -1.651 1.00 41.54 H ATOM 152 HE1 HIS A 11 -12.324 13.319 -0.378 1.00 53.44 H ATOM 153 N LYS A 12 -5.079 12.905 -1.639 1.00 63.34 N ATOM 154 CA LYS A 12 -3.652 12.637 -1.777 1.00 40.52 C ATOM 155 C LYS A 12 -3.152 11.754 -0.639 1.00 24.20 C ATOM 156 O LYS A 12 -2.038 11.231 -0.689 1.00 61.31 O ATOM 157 CB LYS A 12 -2.866 13.950 -1.801 1.00 11.40 C ATOM 158 CG LYS A 12 -1.502 13.831 -2.459 1.00 55.32 C ATOM 159 CD LYS A 12 -0.582 14.968 -2.045 1.00 74.45 C ATOM 160 CE LYS A 12 0.738 14.918 -2.799 1.00 52.21 C ATOM 161 NZ LYS A 12 1.024 16.200 -3.502 1.00 33.23 N ATOM 162 H LYS A 12 -5.371 13.777 -1.300 1.00 40.33 H ATOM 163 HA LYS A 12 -3.500 12.120 -2.712 1.00 71.12 H ATOM 164 HB2 LYS A 12 -3.440 14.690 -2.340 1.00 62.33 H ATOM 165 HB3 LYS A 12 -2.724 14.289 -0.785 1.00 4.12 H ATOM 166 HG2 LYS A 12 -1.053 12.894 -2.168 1.00 25.14 H ATOM 167 HG3 LYS A 12 -1.628 13.854 -3.532 1.00 42.15 H ATOM 168 HD2 LYS A 12 -1.069 15.908 -2.256 1.00 1.30 H ATOM 169 HD3 LYS A 12 -0.385 14.892 -0.985 1.00 70.54 H ATOM 170 HE2 LYS A 12 1.532 14.719 -2.096 1.00 34.52 H ATOM 171 HE3 LYS A 12 0.692 14.121 -3.526 1.00 44.04 H ATOM 172 HZ1 LYS A 12 1.960 16.558 -3.225 1.00 52.11 H ATOM 173 HZ2 LYS A 12 0.305 16.910 -3.255 1.00 2.23 H ATOM 174 HZ3 LYS A 12 1.010 16.054 -4.531 1.00 63.41 H ATOM 175 N CYS A 13 -3.982 11.590 0.386 1.00 45.32 N ATOM 176 CA CYS A 13 -3.624 10.769 1.536 1.00 13.12 C ATOM 177 C CYS A 13 -4.149 9.345 1.372 1.00 4.51 C ATOM 178 O CYS A 13 -4.517 8.691 2.348 1.00 5.30 O ATOM 179 CB CYS A 13 -4.182 11.385 2.821 1.00 24.43 C ATOM 180 SG CYS A 13 -3.279 12.861 3.391 1.00 53.24 S ATOM 181 H CYS A 13 -4.857 12.033 0.368 1.00 5.23 H ATOM 182 HA CYS A 13 -2.547 10.738 1.600 1.00 34.31 H ATOM 183 HB2 CYS A 13 -5.210 11.672 2.657 1.00 40.21 H ATOM 184 HB3 CYS A 13 -4.141 10.649 3.611 1.00 61.02 H ATOM 185 N VAL A 14 -4.180 8.872 0.131 1.00 64.54 N ATOM 186 CA VAL A 14 -4.657 7.525 -0.162 1.00 51.42 C ATOM 187 C VAL A 14 -3.793 6.474 0.525 1.00 11.23 C ATOM 188 O VAL A 14 -4.305 5.516 1.104 1.00 32.44 O ATOM 189 CB VAL A 14 -4.670 7.252 -1.678 1.00 34.11 C ATOM 190 CG1 VAL A 14 -3.303 7.532 -2.283 1.00 73.12 C ATOM 191 CG2 VAL A 14 -5.103 5.820 -1.957 1.00 0.42 C ATOM 192 H VAL A 14 -3.873 9.441 -0.606 1.00 31.40 H ATOM 193 HA VAL A 14 -5.669 7.443 0.206 1.00 33.42 H ATOM 194 HB VAL A 14 -5.386 7.918 -2.137 1.00 70.12 H ATOM 195 HG11 VAL A 14 -2.776 8.245 -1.667 1.00 14.53 H ATOM 196 HG12 VAL A 14 -2.738 6.613 -2.336 1.00 42.25 H ATOM 197 HG13 VAL A 14 -3.426 7.938 -3.277 1.00 32.42 H ATOM 198 HG21 VAL A 14 -5.132 5.654 -3.023 1.00 62.22 H ATOM 199 HG22 VAL A 14 -4.399 5.138 -1.504 1.00 33.10 H ATOM 200 HG23 VAL A 14 -6.086 5.653 -1.540 1.00 23.02 H ATOM 201 N CYS A 15 -2.479 6.660 0.458 1.00 11.11 N ATOM 202 CA CYS A 15 -1.542 5.728 1.074 1.00 40.52 C ATOM 203 C CYS A 15 -1.594 5.830 2.596 1.00 54.35 C ATOM 204 O CYS A 15 -0.980 5.031 3.304 1.00 52.41 O ATOM 205 CB CYS A 15 -0.120 6.004 0.582 1.00 24.50 C ATOM 206 SG CYS A 15 1.049 4.640 0.887 1.00 4.11 S ATOM 207 H CYS A 15 -2.130 7.444 -0.018 1.00 35.31 H ATOM 208 HA CYS A 15 -1.827 4.729 0.782 1.00 14.23 H ATOM 209 HB2 CYS A 15 -0.144 6.182 -0.483 1.00 44.32 H ATOM 210 HB3 CYS A 15 0.262 6.882 1.081 1.00 51.24 H ATOM 211 N LEU A 16 -2.332 6.818 3.092 1.00 63.44 N ATOM 212 CA LEU A 16 -2.465 7.025 4.529 1.00 35.35 C ATOM 213 C LEU A 16 -3.760 7.762 4.855 1.00 35.23 C ATOM 214 O LEU A 16 -3.739 8.872 5.387 1.00 20.14 O ATOM 215 CB LEU A 16 -1.268 7.812 5.065 1.00 54.33 C ATOM 216 CG LEU A 16 -1.063 9.206 4.471 1.00 5.42 C ATOM 217 CD1 LEU A 16 -0.501 10.155 5.519 1.00 63.02 C ATOM 218 CD2 LEU A 16 -0.143 9.140 3.261 1.00 44.22 C ATOM 219 H LEU A 16 -2.798 7.422 2.478 1.00 43.14 H ATOM 220 HA LEU A 16 -2.489 6.055 5.003 1.00 23.51 H ATOM 221 HB2 LEU A 16 -1.395 7.923 6.131 1.00 71.53 H ATOM 222 HB3 LEU A 16 -0.378 7.233 4.868 1.00 64.22 H ATOM 223 HG LEU A 16 -2.017 9.597 4.146 1.00 71.21 H ATOM 224 HD11 LEU A 16 -0.216 11.084 5.048 1.00 72.42 H ATOM 225 HD12 LEU A 16 0.365 9.706 5.983 1.00 41.50 H ATOM 226 HD13 LEU A 16 -1.253 10.347 6.270 1.00 4.13 H ATOM 227 HD21 LEU A 16 -0.721 8.901 2.381 1.00 35.34 H ATOM 228 HD22 LEU A 16 0.605 8.377 3.419 1.00 2.10 H ATOM 229 HD23 LEU A 16 0.342 10.096 3.125 1.00 42.24 H ATOM 230 N LYS A 17 -4.888 7.136 4.534 1.00 0.35 N ATOM 231 CA LYS A 17 -6.194 7.730 4.796 1.00 41.03 C ATOM 232 C LYS A 17 -6.260 8.298 6.210 1.00 74.22 C ATOM 233 O LYS A 17 -7.036 9.213 6.487 1.00 13.12 O ATOM 234 CB LYS A 17 -7.299 6.689 4.600 1.00 5.11 C ATOM 235 CG LYS A 17 -7.147 5.467 5.490 1.00 55.41 C ATOM 236 CD LYS A 17 -7.547 4.195 4.762 1.00 35.24 C ATOM 237 CE LYS A 17 -9.048 4.140 4.519 1.00 21.14 C ATOM 238 NZ LYS A 17 -9.774 3.529 5.667 1.00 2.33 N ATOM 239 H LYS A 17 -4.841 6.253 4.112 1.00 24.41 H ATOM 240 HA LYS A 17 -6.340 8.534 4.091 1.00 42.25 H ATOM 241 HB2 LYS A 17 -8.252 7.149 4.814 1.00 0.03 H ATOM 242 HB3 LYS A 17 -7.290 6.362 3.570 1.00 23.34 H ATOM 243 HG2 LYS A 17 -6.116 5.383 5.799 1.00 52.41 H ATOM 244 HG3 LYS A 17 -7.777 5.587 6.360 1.00 14.10 H ATOM 245 HD2 LYS A 17 -7.039 4.159 3.811 1.00 43.25 H ATOM 246 HD3 LYS A 17 -7.257 3.342 5.360 1.00 2.31 H ATOM 247 HE2 LYS A 17 -9.412 5.144 4.368 1.00 41.42 H ATOM 248 HE3 LYS A 17 -9.234 3.552 3.633 1.00 73.03 H ATOM 249 HZ1 LYS A 17 -9.098 3.094 6.327 1.00 70.42 H ATOM 250 HZ2 LYS A 17 -10.430 2.798 5.326 1.00 31.24 H ATOM 251 HZ3 LYS A 17 -10.317 4.257 6.174 1.00 21.34 H ATOM 252 N THR A 18 -5.441 7.750 7.102 1.00 42.11 N ATOM 253 CA THR A 18 -5.407 8.202 8.487 1.00 5.10 C ATOM 254 C THR A 18 -4.565 9.465 8.633 1.00 61.24 C ATOM 255 O THR A 18 -3.934 9.687 9.667 1.00 54.23 O ATOM 256 CB THR A 18 -4.843 7.113 9.420 1.00 54.14 C ATOM 257 OG1 THR A 18 -5.079 7.469 10.786 1.00 31.15 O ATOM 258 CG2 THR A 18 -3.352 6.922 9.190 1.00 42.31 C ATOM 259 H THR A 18 -4.846 7.024 6.820 1.00 10.03 H ATOM 260 HA THR A 18 -6.420 8.419 8.792 1.00 1.32 H ATOM 261 HB THR A 18 -5.348 6.182 9.206 1.00 63.52 H ATOM 262 HG1 THR A 18 -4.988 8.419 10.890 1.00 15.31 H ATOM 263 HG21 THR A 18 -3.065 7.409 8.270 1.00 63.41 H ATOM 264 HG22 THR A 18 -3.130 5.867 9.124 1.00 43.53 H ATOM 265 HG23 THR A 18 -2.803 7.355 10.013 1.00 43.22 H ATOM 266 N CYS A 19 -4.559 10.290 7.591 1.00 33.20 N ATOM 267 CA CYS A 19 -3.795 11.531 7.602 1.00 12.44 C ATOM 268 C CYS A 19 -4.072 12.329 8.874 1.00 73.05 C ATOM 269 O CYS A 19 -3.198 13.034 9.378 1.00 54.20 O ATOM 270 CB CYS A 19 -4.136 12.376 6.373 1.00 71.21 C ATOM 271 SG CYS A 19 -2.720 12.691 5.272 1.00 44.42 S ATOM 272 H CYS A 19 -5.082 10.058 6.794 1.00 31.11 H ATOM 273 HA CYS A 19 -2.747 11.276 7.574 1.00 41.33 H ATOM 274 HB2 CYS A 19 -4.893 11.866 5.795 1.00 54.43 H ATOM 275 HB3 CYS A 19 -4.520 13.331 6.697 1.00 15.43 H TER 276 CYS A 19 ENDMDL MODEL 20 ATOM 1 N ASP A 1 -0.399 0.083 -1.536 1.00 25.42 N ATOM 2 CA ASP A 1 0.988 0.439 -1.258 1.00 11.51 C ATOM 3 C ASP A 1 1.387 1.702 -2.016 1.00 74.32 C ATOM 4 O ASP A 1 2.465 1.769 -2.608 1.00 14.15 O ATOM 5 CB ASP A 1 1.919 -0.713 -1.636 1.00 62.30 C ATOM 6 CG ASP A 1 1.664 -1.228 -3.039 1.00 53.41 C ATOM 7 OD1 ASP A 1 1.383 -0.401 -3.932 1.00 73.04 O ATOM 8 OD2 ASP A 1 1.746 -2.456 -3.244 1.00 74.51 O ATOM 9 H1 ASP A 1 -0.861 -0.542 -0.938 1.00 65.33 H ATOM 10 HA ASP A 1 1.076 0.628 -0.199 1.00 13.34 H ATOM 11 HB2 ASP A 1 2.943 -0.374 -1.578 1.00 63.12 H ATOM 12 HB3 ASP A 1 1.774 -1.527 -0.941 1.00 61.42 H ATOM 13 N CYS A 2 0.510 2.700 -1.996 1.00 32.13 N ATOM 14 CA CYS A 2 0.768 3.960 -2.682 1.00 65.21 C ATOM 15 C CYS A 2 0.856 3.749 -4.191 1.00 12.30 C ATOM 16 O CYS A 2 1.188 2.667 -4.674 1.00 22.54 O ATOM 17 CB CYS A 2 2.065 4.588 -2.168 1.00 23.11 C ATOM 18 SG CYS A 2 2.220 4.593 -0.353 1.00 23.02 S ATOM 19 H CYS A 2 -0.333 2.586 -1.507 1.00 10.52 H ATOM 20 HA CYS A 2 -0.053 4.627 -2.471 1.00 41.52 H ATOM 21 HB2 CYS A 2 2.905 4.038 -2.567 1.00 4.11 H ATOM 22 HB3 CYS A 2 2.119 5.612 -2.506 1.00 10.21 H ATOM 23 N PRO A 3 0.550 4.809 -4.955 1.00 25.23 N ATOM 24 CA PRO A 3 0.588 4.766 -6.420 1.00 33.25 C ATOM 25 C PRO A 3 2.010 4.662 -6.960 1.00 53.04 C ATOM 26 O PRO A 3 2.989 4.849 -6.239 1.00 3.24 O ATOM 27 CB PRO A 3 -0.045 6.098 -6.830 1.00 5.13 C ATOM 28 CG PRO A 3 0.194 7.003 -5.671 1.00 12.23 C ATOM 29 CD PRO A 3 0.146 6.131 -4.447 1.00 71.41 C ATOM 30 HA PRO A 3 -0.004 3.950 -6.808 1.00 32.24 H ATOM 31 HB2 PRO A 3 0.436 6.467 -7.725 1.00 73.33 H ATOM 32 HB3 PRO A 3 -1.100 5.959 -7.011 1.00 44.24 H ATOM 33 HG2 PRO A 3 1.163 7.469 -5.762 1.00 23.24 H ATOM 34 HG3 PRO A 3 -0.582 7.754 -5.626 1.00 23.41 H ATOM 35 HD2 PRO A 3 0.842 6.487 -3.702 1.00 34.01 H ATOM 36 HD3 PRO A 3 -0.856 6.098 -4.046 1.00 12.35 H ATOM 37 N PRO A 4 2.128 4.357 -8.261 1.00 40.02 N ATOM 38 CA PRO A 4 3.427 4.223 -8.928 1.00 33.32 C ATOM 39 C PRO A 4 4.144 5.560 -9.075 1.00 53.35 C ATOM 40 O PRO A 4 5.326 5.681 -8.754 1.00 64.05 O ATOM 41 CB PRO A 4 3.063 3.656 -10.303 1.00 11.35 C ATOM 42 CG PRO A 4 1.659 4.098 -10.535 1.00 20.54 C ATOM 43 CD PRO A 4 1.003 4.120 -9.182 1.00 2.54 C ATOM 44 HA PRO A 4 4.069 3.527 -8.408 1.00 61.33 H ATOM 45 HB2 PRO A 4 3.733 4.059 -11.049 1.00 70.32 H ATOM 46 HB3 PRO A 4 3.140 2.580 -10.284 1.00 61.42 H ATOM 47 HG2 PRO A 4 1.652 5.084 -10.972 1.00 13.33 H ATOM 48 HG3 PRO A 4 1.156 3.395 -11.182 1.00 61.24 H ATOM 49 HD2 PRO A 4 0.283 4.923 -9.125 1.00 1.31 H ATOM 50 HD3 PRO A 4 0.530 3.172 -8.975 1.00 62.44 H ATOM 51 N HIS A 5 3.420 6.564 -9.563 1.00 25.42 N ATOM 52 CA HIS A 5 3.988 7.894 -9.752 1.00 21.21 C ATOM 53 C HIS A 5 3.318 8.907 -8.828 1.00 71.35 C ATOM 54 O HIS A 5 2.190 8.717 -8.373 1.00 21.53 O ATOM 55 CB HIS A 5 3.835 8.334 -11.208 1.00 41.40 C ATOM 56 CG HIS A 5 2.510 7.975 -11.807 1.00 21.35 C ATOM 57 ND1 HIS A 5 1.349 8.667 -11.535 1.00 32.22 N ATOM 58 CD2 HIS A 5 2.166 6.990 -12.669 1.00 64.20 C ATOM 59 CE1 HIS A 5 0.348 8.122 -12.203 1.00 13.01 C ATOM 60 NE2 HIS A 5 0.817 7.103 -12.899 1.00 63.34 N ATOM 61 H HIS A 5 2.483 6.406 -9.800 1.00 62.53 H ATOM 62 HA HIS A 5 5.039 7.844 -9.509 1.00 35.24 H ATOM 63 HB2 HIS A 5 3.944 9.407 -11.266 1.00 4.31 H ATOM 64 HB3 HIS A 5 4.607 7.866 -11.802 1.00 53.11 H ATOM 65 HD1 HIS A 5 1.270 9.441 -10.940 1.00 31.24 H ATOM 66 HD2 HIS A 5 2.830 6.251 -13.097 1.00 54.00 H ATOM 67 HE1 HIS A 5 -0.680 8.453 -12.184 1.00 3.32 H ATOM 68 N PRO A 6 4.027 10.009 -8.544 1.00 41.24 N ATOM 69 CA PRO A 6 3.521 11.074 -7.673 1.00 34.41 C ATOM 70 C PRO A 6 2.379 11.855 -8.315 1.00 21.50 C ATOM 71 O PRO A 6 2.579 12.954 -8.832 1.00 62.30 O ATOM 72 CB PRO A 6 4.740 11.977 -7.471 1.00 54.13 C ATOM 73 CG PRO A 6 5.589 11.741 -8.673 1.00 14.45 C ATOM 74 CD PRO A 6 5.378 10.302 -9.053 1.00 32.13 C ATOM 75 HA PRO A 6 3.197 10.685 -6.719 1.00 31.54 H ATOM 76 HB2 PRO A 6 4.420 13.008 -7.408 1.00 62.12 H ATOM 77 HB3 PRO A 6 5.253 11.697 -6.564 1.00 4.41 H ATOM 78 HG2 PRO A 6 5.277 12.391 -9.476 1.00 13.11 H ATOM 79 HG3 PRO A 6 6.626 11.916 -8.428 1.00 61.02 H ATOM 80 HD2 PRO A 6 5.420 10.185 -10.125 1.00 70.14 H ATOM 81 HD3 PRO A 6 6.114 9.673 -8.573 1.00 52.44 H ATOM 82 N VAL A 7 1.181 11.280 -8.278 1.00 71.03 N ATOM 83 CA VAL A 7 0.007 11.923 -8.855 1.00 54.33 C ATOM 84 C VAL A 7 -1.262 11.519 -8.113 1.00 71.52 C ATOM 85 O VAL A 7 -2.047 10.693 -8.580 1.00 32.34 O ATOM 86 CB VAL A 7 -0.150 11.572 -10.347 1.00 21.13 C ATOM 87 CG1 VAL A 7 -1.385 12.243 -10.927 1.00 13.31 C ATOM 88 CG2 VAL A 7 1.097 11.971 -11.121 1.00 61.33 C ATOM 89 H VAL A 7 1.084 10.403 -7.852 1.00 63.22 H ATOM 90 HA VAL A 7 0.136 12.993 -8.771 1.00 21.54 H ATOM 91 HB VAL A 7 -0.275 10.502 -10.433 1.00 1.54 H ATOM 92 HG11 VAL A 7 -1.096 12.879 -11.751 1.00 63.30 H ATOM 93 HG12 VAL A 7 -2.075 11.489 -11.277 1.00 65.12 H ATOM 94 HG13 VAL A 7 -1.862 12.840 -10.164 1.00 11.55 H ATOM 95 HG21 VAL A 7 1.388 12.973 -10.845 1.00 51.10 H ATOM 96 HG22 VAL A 7 1.899 11.286 -10.889 1.00 33.41 H ATOM 97 HG23 VAL A 7 0.890 11.936 -12.181 1.00 72.52 H ATOM 98 N PRO A 8 -1.470 12.113 -6.929 1.00 52.21 N ATOM 99 CA PRO A 8 -2.644 11.831 -6.097 1.00 4.10 C ATOM 100 C PRO A 8 -3.931 12.375 -6.707 1.00 31.21 C ATOM 101 O PRO A 8 -3.944 12.830 -7.850 1.00 11.44 O ATOM 102 CB PRO A 8 -2.328 12.551 -4.784 1.00 14.35 C ATOM 103 CG PRO A 8 -1.390 13.643 -5.166 1.00 25.11 C ATOM 104 CD PRO A 8 -0.576 13.107 -6.312 1.00 13.33 C ATOM 105 HA PRO A 8 -2.753 10.773 -5.912 1.00 34.43 H ATOM 106 HB2 PRO A 8 -3.241 12.945 -4.358 1.00 22.32 H ATOM 107 HB3 PRO A 8 -1.870 11.861 -4.091 1.00 50.14 H ATOM 108 HG2 PRO A 8 -1.946 14.514 -5.476 1.00 11.10 H ATOM 109 HG3 PRO A 8 -0.747 13.883 -4.331 1.00 55.44 H ATOM 110 HD2 PRO A 8 -0.339 13.898 -7.008 1.00 72.22 H ATOM 111 HD3 PRO A 8 0.326 12.639 -5.948 1.00 4.45 H ATOM 112 N GLY A 9 -5.013 12.324 -5.936 1.00 54.11 N ATOM 113 CA GLY A 9 -6.291 12.815 -6.418 1.00 51.31 C ATOM 114 C GLY A 9 -6.959 13.755 -5.434 1.00 55.03 C ATOM 115 O GLY A 9 -6.303 14.606 -4.835 1.00 20.12 O ATOM 116 H GLY A 9 -4.944 11.950 -5.033 1.00 24.02 H ATOM 117 HA2 GLY A 9 -6.135 13.338 -7.350 1.00 72.31 H ATOM 118 HA3 GLY A 9 -6.944 11.973 -6.594 1.00 13.10 H ATOM 119 N MET A 10 -8.269 13.602 -5.269 1.00 53.30 N ATOM 120 CA MET A 10 -9.027 14.445 -4.351 1.00 43.21 C ATOM 121 C MET A 10 -8.384 14.457 -2.968 1.00 31.23 C ATOM 122 O MET A 10 -8.482 15.442 -2.235 1.00 62.22 O ATOM 123 CB MET A 10 -10.473 13.956 -4.251 1.00 24.44 C ATOM 124 CG MET A 10 -11.497 14.995 -4.676 1.00 71.20 C ATOM 125 SD MET A 10 -12.669 15.393 -3.364 1.00 64.14 S ATOM 126 CE MET A 10 -14.207 14.859 -4.111 1.00 23.44 C ATOM 127 H MET A 10 -8.738 12.906 -5.775 1.00 50.12 H ATOM 128 HA MET A 10 -9.023 15.450 -4.745 1.00 51.33 H ATOM 129 HB2 MET A 10 -10.591 13.086 -4.880 1.00 45.42 H ATOM 130 HB3 MET A 10 -10.677 13.679 -3.227 1.00 4.22 H ATOM 131 HG2 MET A 10 -10.978 15.898 -4.961 1.00 21.22 H ATOM 132 HG3 MET A 10 -12.044 14.614 -5.526 1.00 31.44 H ATOM 133 HE1 MET A 10 -14.703 15.707 -4.559 1.00 45.24 H ATOM 134 HE2 MET A 10 -14.001 14.119 -4.870 1.00 43.01 H ATOM 135 HE3 MET A 10 -14.844 14.428 -3.352 1.00 41.33 H ATOM 136 N HIS A 11 -7.727 13.356 -2.616 1.00 33.11 N ATOM 137 CA HIS A 11 -7.068 13.240 -1.320 1.00 13.22 C ATOM 138 C HIS A 11 -5.637 12.737 -1.481 1.00 71.20 C ATOM 139 O HIS A 11 -5.411 11.581 -1.839 1.00 63.22 O ATOM 140 CB HIS A 11 -7.853 12.297 -0.407 1.00 52.33 C ATOM 141 CG HIS A 11 -9.327 12.563 -0.397 1.00 72.23 C ATOM 142 ND1 HIS A 11 -9.876 13.747 0.047 1.00 5.33 N ATOM 143 CD2 HIS A 11 -10.369 11.789 -0.782 1.00 63.14 C ATOM 144 CE1 HIS A 11 -11.191 13.690 -0.063 1.00 63.12 C ATOM 145 NE2 HIS A 11 -11.516 12.512 -0.565 1.00 23.04 N ATOM 146 H HIS A 11 -7.685 12.604 -3.243 1.00 5.22 H ATOM 147 HA HIS A 11 -7.043 14.222 -0.872 1.00 21.01 H ATOM 148 HB2 HIS A 11 -7.702 11.280 -0.737 1.00 32.13 H ATOM 149 HB3 HIS A 11 -7.490 12.401 0.605 1.00 64.20 H ATOM 150 HD1 HIS A 11 -9.375 14.515 0.394 1.00 72.02 H ATOM 151 HD2 HIS A 11 -10.310 10.788 -1.186 1.00 23.31 H ATOM 152 HE1 HIS A 11 -11.883 14.472 0.209 1.00 1.52 H ATOM 153 N LYS A 12 -4.674 13.612 -1.215 1.00 44.31 N ATOM 154 CA LYS A 12 -3.264 13.258 -1.330 1.00 20.22 C ATOM 155 C LYS A 12 -2.886 12.191 -0.307 1.00 74.34 C ATOM 156 O LYS A 12 -1.835 11.559 -0.414 1.00 22.12 O ATOM 157 CB LYS A 12 -2.388 14.497 -1.136 1.00 42.51 C ATOM 158 CG LYS A 12 -2.724 15.634 -2.085 1.00 52.44 C ATOM 159 CD LYS A 12 -3.353 16.807 -1.351 1.00 21.41 C ATOM 160 CE LYS A 12 -2.297 17.769 -0.829 1.00 24.40 C ATOM 161 NZ LYS A 12 -2.019 18.866 -1.797 1.00 30.13 N ATOM 162 H LYS A 12 -4.917 14.520 -0.934 1.00 21.34 H ATOM 163 HA LYS A 12 -3.101 12.863 -2.321 1.00 43.31 H ATOM 164 HB2 LYS A 12 -2.508 14.854 -0.124 1.00 20.03 H ATOM 165 HB3 LYS A 12 -1.355 14.221 -1.291 1.00 3.01 H ATOM 166 HG2 LYS A 12 -1.818 15.970 -2.567 1.00 24.22 H ATOM 167 HG3 LYS A 12 -3.418 15.275 -2.832 1.00 34.44 H ATOM 168 HD2 LYS A 12 -4.004 17.338 -2.029 1.00 43.21 H ATOM 169 HD3 LYS A 12 -3.929 16.431 -0.517 1.00 23.40 H ATOM 170 HE2 LYS A 12 -2.646 18.197 0.098 1.00 45.41 H ATOM 171 HE3 LYS A 12 -1.385 17.218 -0.650 1.00 44.41 H ATOM 172 HZ1 LYS A 12 -2.904 19.345 -2.057 1.00 53.14 H ATOM 173 HZ2 LYS A 12 -1.579 18.480 -2.657 1.00 13.51 H ATOM 174 HZ3 LYS A 12 -1.373 19.561 -1.373 1.00 4.35 H ATOM 175 N CYS A 13 -3.751 11.994 0.682 1.00 31.52 N ATOM 176 CA CYS A 13 -3.509 11.002 1.723 1.00 14.24 C ATOM 177 C CYS A 13 -4.167 9.671 1.371 1.00 55.43 C ATOM 178 O CYS A 13 -4.642 8.949 2.248 1.00 53.44 O ATOM 179 CB CYS A 13 -4.039 11.505 3.068 1.00 24.11 C ATOM 180 SG CYS A 13 -3.011 12.799 3.835 1.00 61.12 S ATOM 181 H CYS A 13 -4.573 12.528 0.713 1.00 3.53 H ATOM 182 HA CYS A 13 -2.443 10.853 1.799 1.00 10.41 H ATOM 183 HB2 CYS A 13 -5.029 11.914 2.926 1.00 25.34 H ATOM 184 HB3 CYS A 13 -4.093 10.676 3.758 1.00 63.43 H ATOM 185 N VAL A 14 -4.192 9.353 0.080 1.00 4.03 N ATOM 186 CA VAL A 14 -4.790 8.109 -0.389 1.00 63.02 C ATOM 187 C VAL A 14 -4.071 6.899 0.196 1.00 63.53 C ATOM 188 O VAL A 14 -4.704 5.939 0.636 1.00 15.13 O ATOM 189 CB VAL A 14 -4.760 8.017 -1.926 1.00 64.24 C ATOM 190 CG1 VAL A 14 -3.344 8.214 -2.446 1.00 4.33 C ATOM 191 CG2 VAL A 14 -5.326 6.683 -2.391 1.00 4.41 C ATOM 192 H VAL A 14 -3.797 9.969 -0.571 1.00 41.34 H ATOM 193 HA VAL A 14 -5.821 8.093 -0.069 1.00 32.54 H ATOM 194 HB VAL A 14 -5.379 8.806 -2.326 1.00 72.03 H ATOM 195 HG11 VAL A 14 -3.377 8.737 -3.390 1.00 42.23 H ATOM 196 HG12 VAL A 14 -2.775 8.793 -1.732 1.00 75.21 H ATOM 197 HG13 VAL A 14 -2.874 7.252 -2.585 1.00 20.44 H ATOM 198 HG21 VAL A 14 -4.728 5.879 -1.989 1.00 74.30 H ATOM 199 HG22 VAL A 14 -6.343 6.585 -2.044 1.00 55.04 H ATOM 200 HG23 VAL A 14 -5.307 6.640 -3.470 1.00 53.54 H ATOM 201 N CYS A 15 -2.743 6.950 0.197 1.00 21.25 N ATOM 202 CA CYS A 15 -1.936 5.858 0.728 1.00 4.13 C ATOM 203 C CYS A 15 -2.050 5.786 2.248 1.00 0.13 C ATOM 204 O CYS A 15 -1.556 4.848 2.876 1.00 43.35 O ATOM 205 CB CYS A 15 -0.471 6.036 0.324 1.00 62.31 C ATOM 206 SG CYS A 15 0.571 4.576 0.644 1.00 41.12 S ATOM 207 H CYS A 15 -2.294 7.742 -0.168 1.00 31.03 H ATOM 208 HA CYS A 15 -2.307 4.936 0.308 1.00 63.13 H ATOM 209 HB2 CYS A 15 -0.421 6.249 -0.734 1.00 62.51 H ATOM 210 HB3 CYS A 15 -0.052 6.866 0.873 1.00 41.11 H ATOM 211 N LEU A 16 -2.705 6.782 2.834 1.00 1.23 N ATOM 212 CA LEU A 16 -2.885 6.833 4.281 1.00 33.31 C ATOM 213 C LEU A 16 -4.112 7.661 4.648 1.00 14.02 C ATOM 214 O LEU A 16 -4.003 8.693 5.311 1.00 70.11 O ATOM 215 CB LEU A 16 -1.641 7.420 4.950 1.00 60.42 C ATOM 216 CG LEU A 16 -1.266 8.844 4.538 1.00 60.44 C ATOM 217 CD1 LEU A 16 -0.663 9.598 5.712 1.00 13.14 C ATOM 218 CD2 LEU A 16 -0.299 8.822 3.363 1.00 61.52 C ATOM 219 H LEU A 16 -3.076 7.501 2.282 1.00 14.02 H ATOM 220 HA LEU A 16 -3.030 5.822 4.632 1.00 21.13 H ATOM 221 HB2 LEU A 16 -1.806 7.417 6.016 1.00 15.11 H ATOM 222 HB3 LEU A 16 -0.806 6.775 4.715 1.00 5.23 H ATOM 223 HG LEU A 16 -2.159 9.369 4.227 1.00 22.31 H ATOM 224 HD11 LEU A 16 0.119 9.004 6.159 1.00 63.43 H ATOM 225 HD12 LEU A 16 -1.431 9.793 6.447 1.00 43.12 H ATOM 226 HD13 LEU A 16 -0.252 10.535 5.365 1.00 25.34 H ATOM 227 HD21 LEU A 16 0.605 8.305 3.650 1.00 11.33 H ATOM 228 HD22 LEU A 16 -0.059 9.835 3.075 1.00 34.34 H ATOM 229 HD23 LEU A 16 -0.757 8.310 2.529 1.00 72.31 H ATOM 230 N LYS A 17 -5.281 7.201 4.215 1.00 13.21 N ATOM 231 CA LYS A 17 -6.531 7.897 4.500 1.00 22.44 C ATOM 232 C LYS A 17 -6.606 8.299 5.970 1.00 73.22 C ATOM 233 O LYS A 17 -7.298 9.253 6.329 1.00 64.31 O ATOM 234 CB LYS A 17 -7.725 7.010 4.141 1.00 33.14 C ATOM 235 CG LYS A 17 -7.742 5.683 4.881 1.00 41.14 C ATOM 236 CD LYS A 17 -8.864 5.629 5.904 1.00 71.13 C ATOM 237 CE LYS A 17 -8.443 4.870 7.153 1.00 73.33 C ATOM 238 NZ LYS A 17 -9.136 5.376 8.370 1.00 55.35 N ATOM 239 H LYS A 17 -5.304 6.373 3.691 1.00 33.30 H ATOM 240 HA LYS A 17 -6.560 8.789 3.893 1.00 31.34 H ATOM 241 HB2 LYS A 17 -8.636 7.541 4.377 1.00 60.25 H ATOM 242 HB3 LYS A 17 -7.701 6.806 3.080 1.00 11.54 H ATOM 243 HG2 LYS A 17 -7.881 4.885 4.167 1.00 55.14 H ATOM 244 HG3 LYS A 17 -6.797 5.553 5.389 1.00 60.12 H ATOM 245 HD2 LYS A 17 -9.134 6.636 6.183 1.00 55.43 H ATOM 246 HD3 LYS A 17 -9.718 5.134 5.463 1.00 41.04 H ATOM 247 HE2 LYS A 17 -8.682 3.826 7.021 1.00 33.42 H ATOM 248 HE3 LYS A 17 -7.377 4.981 7.283 1.00 0.25 H ATOM 249 HZ1 LYS A 17 -9.926 4.747 8.620 1.00 63.05 H ATOM 250 HZ2 LYS A 17 -9.510 6.331 8.196 1.00 50.40 H ATOM 251 HZ3 LYS A 17 -8.472 5.416 9.169 1.00 53.25 H ATOM 252 N THR A 18 -5.890 7.566 6.817 1.00 43.50 N ATOM 253 CA THR A 18 -5.875 7.847 8.247 1.00 14.20 C ATOM 254 C THR A 18 -4.917 8.987 8.574 1.00 34.11 C ATOM 255 O THR A 18 -4.319 9.019 9.650 1.00 52.51 O ATOM 256 CB THR A 18 -5.471 6.603 9.060 1.00 71.32 C ATOM 257 OG1 THR A 18 -5.735 6.819 10.450 1.00 33.34 O ATOM 258 CG2 THR A 18 -3.997 6.283 8.862 1.00 31.32 C ATOM 259 H THR A 18 -5.359 6.819 6.470 1.00 1.33 H ATOM 260 HA THR A 18 -6.875 8.134 8.541 1.00 43.14 H ATOM 261 HB THR A 18 -6.056 5.761 8.716 1.00 12.53 H ATOM 262 HG1 THR A 18 -5.972 5.985 10.865 1.00 51.25 H ATOM 263 HG21 THR A 18 -3.446 6.567 9.746 1.00 70.31 H ATOM 264 HG22 THR A 18 -3.620 6.831 8.012 1.00 53.43 H ATOM 265 HG23 THR A 18 -3.879 5.223 8.689 1.00 41.53 H ATOM 266 N CYS A 19 -4.776 9.921 7.640 1.00 13.50 N ATOM 267 CA CYS A 19 -3.891 11.064 7.829 1.00 41.34 C ATOM 268 C CYS A 19 -4.148 11.735 9.175 1.00 41.21 C ATOM 269 O CYS A 19 -3.243 11.860 10.000 1.00 64.41 O ATOM 270 CB CYS A 19 -4.082 12.076 6.697 1.00 13.32 C ATOM 271 SG CYS A 19 -2.582 12.380 5.709 1.00 30.34 S ATOM 272 H CYS A 19 -5.280 9.841 6.802 1.00 32.33 H ATOM 273 HA CYS A 19 -2.874 10.703 7.809 1.00 50.24 H ATOM 274 HB2 CYS A 19 -4.848 11.715 6.027 1.00 74.41 H ATOM 275 HB3 CYS A 19 -4.396 13.020 7.118 1.00 1.11 H TER 276 CYS A 19 ENDMDL CONECT 18 206 CONECT 180 271 CONECT 206 18 CONECT 271 180 MASTER 141 0 0 1 0 0 0 6 139 1 4 2 END