USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -152:sc= -0.236! (180deg=-3.79!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= 0.809 F(o=-10!,f=0.57) USER MOD Set 2.1: A 48 CYS SG : rot -44:sc= 0.00349! USER MOD Set 2.2: A 59 CYS SG : rot 133:sc= -9.11! USER MOD Set 3.1: A 29 CYS SG : rot -140:sc= -2.69! USER MOD Set 3.2: A 33 CYS SG : rot -54:sc= 1.56 USER MOD Set 3.3: A 38 LYS NZ :NH3+ -109:sc= 1.37 (180deg=0) USER MOD Set 4.1: A 5 THR OG1 : rot -26:sc= 1.25! USER MOD Set 4.2: A 8 THR OG1 : rot 77:sc= -1.27 USER MOD Set 4.3: A 9 SER OG : rot 180:sc= 0.053 USER MOD Set 5.1: A 3 CYS SG : rot -84:sc= -15.9! USER MOD Set 5.2: A 16 CYS SG : rot 124:sc= -5.31! USER MOD Set 5.3: A 23 CYS SG : rot -87:sc= -14.9! USER MOD Set 5.4: A 44 CYS SG : rot -75:sc= -13.5! USER MOD Set 5.5: A 60 CYS SG : rot -40:sc= -22.3! USER MOD Set 5.6: A 62 THR OG1 : rot 54:sc= -1.53! USER MOD Set 5.7: A 65 CYS SG : rot 17:sc= -27.5! USER MOD Set 5.8: A 66 ASN : amide:sc= -11.2! C(o=-1.1e+02!,f=-1.2e+02!) USER MOD Single : A 1 ILE N :NH3+ -112:sc= -0.172 (180deg=-0.484) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -12.1! C(o=-14!,f=-12!) USER MOD Single : A 6 THR OG1 : rot -77:sc= -2.55 USER MOD Single : A 12 SER OG : rot 180:sc= -1.09 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 21 ASN :FLIP amide:sc= -1.72 F(o=-5.2!,f=-1.7) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 139:sc= -1.35 (180deg=-1.76!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 49:sc= 1.11 USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= -1.1 (180deg=-1.53) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 75:sc= -0.0833 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -37.5! C(o=-38!,f=-44!) USER MOD Single : B 1 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-7.6!) USER MOD Single : B 1 HIS N :NH3+ 168:sc= -7.61! (180deg=-8.66!) USER MOD Single : B 3 TYR OH : rot 126:sc= 0.165 USER MOD Single : B 4 TYR OH : rot -115:sc= -0.798 USER MOD Single : B 6 SER OG : rot -37:sc= 0.162 USER MOD Single : B 7 SER OG : rot 59:sc= -7.91! USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -5.864 6.490 12.462 1.00 0.00 N ATOM 2 CA ILE A 1 -6.489 6.622 11.157 1.00 0.00 C ATOM 3 C ILE A 1 -6.761 5.229 10.584 1.00 0.00 C ATOM 4 O ILE A 1 -6.645 4.230 11.290 1.00 0.00 O ATOM 5 CB ILE A 1 -5.641 7.509 10.244 1.00 0.00 C ATOM 6 CG1 ILE A 1 -4.247 6.911 10.038 1.00 0.00 C ATOM 7 CG2 ILE A 1 -5.578 8.942 10.774 1.00 0.00 C ATOM 8 CD1 ILE A 1 -3.554 7.538 8.828 1.00 0.00 C ATOM 0 H1 ILE A 1 -6.521 6.823 13.197 1.00 0.00 H new ATOM 0 H2 ILE A 1 -5.628 5.492 12.635 1.00 0.00 H new ATOM 0 H3 ILE A 1 -4.995 7.061 12.490 1.00 0.00 H new ATOM 0 HA ILE A 1 -7.452 7.125 11.244 1.00 0.00 H new ATOM 0 HB ILE A 1 -6.121 7.549 9.266 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -3.643 7.072 10.931 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -4.327 5.833 9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -4.969 9.551 10.106 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -6.585 9.356 10.825 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -5.135 8.942 11.770 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -2.566 7.095 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.148 7.354 7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -3.453 8.612 8.983 1.00 0.00 H new ATOM 20 N VAL A 2 -7.116 5.209 9.307 1.00 0.00 N ATOM 21 CA VAL A 2 -7.405 3.955 8.630 1.00 0.00 C ATOM 22 C VAL A 2 -6.537 3.848 7.375 1.00 0.00 C ATOM 23 O VAL A 2 -6.097 4.859 6.831 1.00 0.00 O ATOM 24 CB VAL A 2 -8.903 3.854 8.334 1.00 0.00 C ATOM 25 CG1 VAL A 2 -9.302 2.413 8.016 1.00 0.00 C ATOM 26 CG2 VAL A 2 -9.730 4.411 9.495 1.00 0.00 C ATOM 0 H VAL A 2 -7.210 6.040 8.724 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.157 3.108 9.269 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.113 4.461 7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -10.371 2.369 7.809 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.749 2.067 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.070 1.775 8.869 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.791 4.327 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.514 3.844 10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.475 5.459 9.653 1.00 0.00 H new ATOM 36 N CYS A 3 -6.321 2.613 6.949 1.00 0.00 N ATOM 37 CA CYS A 3 -5.514 2.358 5.767 1.00 0.00 C ATOM 38 C CYS A 3 -6.102 1.150 5.035 1.00 0.00 C ATOM 39 O CYS A 3 -6.678 0.261 5.659 1.00 0.00 O ATOM 40 CB CYS A 3 -4.041 2.150 6.122 1.00 0.00 C ATOM 41 SG CYS A 3 -3.587 3.195 7.553 1.00 0.00 S ATOM 0 H CYS A 3 -6.691 1.777 7.401 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.541 3.227 5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.860 1.101 6.356 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.414 2.399 5.266 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.292 4.392 7.140 1.00 0.00 H new ATOM 47 N HIS A 4 -5.937 1.158 3.720 1.00 0.00 N ATOM 48 CA HIS A 4 -6.444 0.074 2.896 1.00 0.00 C ATOM 49 C HIS A 4 -5.443 -1.083 2.897 1.00 0.00 C ATOM 50 O HIS A 4 -4.235 -0.865 2.965 1.00 0.00 O ATOM 51 CB HIS A 4 -6.773 0.572 1.487 1.00 0.00 C ATOM 52 CG HIS A 4 -7.433 1.930 1.453 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.010 3.113 0.921 1.00 0.00 N flip ATOM 54 CD2 HIS A 4 -8.674 2.174 2.013 1.00 0.00 C flip ATOM 55 CE1 HIS A 4 -7.944 4.029 1.143 1.00 0.00 C flip ATOM 56 NE2 HIS A 4 -8.975 3.450 1.821 1.00 0.00 N flip ATOM 0 H HIS A 4 -5.459 1.898 3.205 1.00 0.00 H new ATOM 0 HA HIS A 4 -7.378 -0.300 3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.853 0.612 0.903 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.428 -0.151 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -9.292 1.448 2.520 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -7.895 5.064 0.837 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -9.829 3.917 2.127 1.00 0.00 H new ATOM 65 N THR A 5 -5.984 -2.291 2.821 1.00 0.00 N ATOM 66 CA THR A 5 -5.154 -3.483 2.814 1.00 0.00 C ATOM 67 C THR A 5 -5.228 -4.175 1.451 1.00 0.00 C ATOM 68 O THR A 5 -6.283 -4.668 1.056 1.00 0.00 O ATOM 69 CB THR A 5 -5.600 -4.376 3.972 1.00 0.00 C ATOM 70 OG1 THR A 5 -6.619 -5.196 3.408 1.00 0.00 O ATOM 71 CG2 THR A 5 -6.319 -3.593 5.073 1.00 0.00 C ATOM 0 H THR A 5 -6.987 -2.469 2.764 1.00 0.00 H new ATOM 0 HA THR A 5 -4.103 -3.234 2.962 1.00 0.00 H new ATOM 0 HB THR A 5 -4.731 -4.882 4.394 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.038 -4.727 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 5 -6.614 -4.275 5.871 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.650 -2.832 5.475 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.206 -3.114 4.659 1.00 0.00 H new ATOM 79 N THR A 6 -4.092 -4.189 0.768 1.00 0.00 N ATOM 80 CA THR A 6 -4.013 -4.812 -0.542 1.00 0.00 C ATOM 81 C THR A 6 -3.322 -6.173 -0.445 1.00 0.00 C ATOM 82 O THR A 6 -3.431 -6.995 -1.355 1.00 0.00 O ATOM 83 CB THR A 6 -3.308 -3.838 -1.488 1.00 0.00 C ATOM 84 OG1 THR A 6 -2.899 -2.767 -0.641 1.00 0.00 O ATOM 85 CG2 THR A 6 -4.272 -3.181 -2.478 1.00 0.00 C ATOM 0 H THR A 6 -3.219 -3.778 1.098 1.00 0.00 H new ATOM 0 HA THR A 6 -5.006 -5.015 -0.943 1.00 0.00 H new ATOM 0 HB THR A 6 -2.528 -4.366 -2.037 1.00 0.00 H new ATOM 0 HG1 THR A 6 -3.671 -2.199 -0.436 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.720 -2.500 -3.125 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.751 -3.950 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.033 -2.625 -1.930 1.00 0.00 H new ATOM 93 N ALA A 7 -2.626 -6.370 0.666 1.00 0.00 N ATOM 94 CA ALA A 7 -1.917 -7.617 0.892 1.00 0.00 C ATOM 95 C ALA A 7 -2.880 -8.646 1.488 1.00 0.00 C ATOM 96 O ALA A 7 -2.956 -9.778 1.013 1.00 0.00 O ATOM 97 CB ALA A 7 -0.708 -7.360 1.794 1.00 0.00 C ATOM 0 H ALA A 7 -2.539 -5.687 1.418 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.543 -8.022 -0.048 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.175 -8.296 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.041 -6.645 1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.045 -6.956 2.748 1.00 0.00 H new ATOM 103 N THR A 8 -3.592 -8.216 2.519 1.00 0.00 N ATOM 104 CA THR A 8 -4.547 -9.084 3.185 1.00 0.00 C ATOM 105 C THR A 8 -5.805 -9.248 2.330 1.00 0.00 C ATOM 106 O THR A 8 -5.796 -9.975 1.339 1.00 0.00 O ATOM 107 CB THR A 8 -4.826 -8.506 4.573 1.00 0.00 C ATOM 108 OG1 THR A 8 -4.699 -7.097 4.394 1.00 0.00 O ATOM 109 CG2 THR A 8 -3.730 -8.853 5.584 1.00 0.00 C ATOM 0 H THR A 8 -3.526 -7.276 2.910 1.00 0.00 H new ATOM 0 HA THR A 8 -4.145 -10.089 3.312 1.00 0.00 H new ATOM 0 HB THR A 8 -5.784 -8.878 4.935 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.500 -6.750 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.978 -8.418 6.552 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.654 -9.936 5.681 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.777 -8.452 5.239 1.00 0.00 H new ATOM 117 N SER A 9 -6.857 -8.558 2.746 1.00 0.00 N ATOM 118 CA SER A 9 -8.120 -8.618 2.032 1.00 0.00 C ATOM 119 C SER A 9 -7.951 -8.058 0.618 1.00 0.00 C ATOM 120 O SER A 9 -6.831 -7.961 0.116 1.00 0.00 O ATOM 121 CB SER A 9 -9.213 -7.848 2.778 1.00 0.00 C ATOM 122 OG SER A 9 -8.930 -7.737 4.170 1.00 0.00 O ATOM 0 H SER A 9 -6.860 -7.955 3.568 1.00 0.00 H new ATOM 0 HA SER A 9 -8.426 -9.662 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.313 -6.852 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.170 -8.352 2.641 1.00 0.00 H new ATOM 0 HG SER A 9 -9.649 -7.238 4.611 1.00 0.00 H new ATOM 128 N PRO A 10 -9.105 -7.697 -0.001 1.00 0.00 N ATOM 129 CA PRO A 10 -9.093 -7.150 -1.347 1.00 0.00 C ATOM 130 C PRO A 10 -8.599 -5.701 -1.346 1.00 0.00 C ATOM 131 O PRO A 10 -7.651 -5.365 -2.053 1.00 0.00 O ATOM 132 CB PRO A 10 -10.524 -7.289 -1.840 1.00 0.00 C ATOM 133 CG PRO A 10 -11.377 -7.477 -0.597 1.00 0.00 C ATOM 134 CD PRO A 10 -10.449 -7.799 0.562 1.00 0.00 C ATOM 0 HA PRO A 10 -8.404 -7.675 -2.009 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.833 -6.404 -2.396 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.624 -8.140 -2.514 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.950 -6.574 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.096 -8.283 -0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.587 -7.099 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.639 -8.797 0.956 1.00 0.00 H new ATOM 142 N ILE A 11 -9.267 -4.883 -0.546 1.00 0.00 N ATOM 143 CA ILE A 11 -8.908 -3.478 -0.445 1.00 0.00 C ATOM 144 C ILE A 11 -10.025 -2.723 0.277 1.00 0.00 C ATOM 145 O ILE A 11 -11.071 -2.446 -0.307 1.00 0.00 O ATOM 146 CB ILE A 11 -8.572 -2.910 -1.825 1.00 0.00 C ATOM 147 CG1 ILE A 11 -7.074 -2.626 -1.951 1.00 0.00 C ATOM 148 CG2 ILE A 11 -9.419 -1.672 -2.127 1.00 0.00 C ATOM 149 CD1 ILE A 11 -6.735 -2.082 -3.341 1.00 0.00 C ATOM 0 H ILE A 11 -10.054 -5.166 0.038 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.004 -3.357 0.151 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.820 -3.661 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.771 -1.906 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.510 -3.540 -1.767 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -9.161 -1.287 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.475 -1.940 -2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.224 -0.906 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.664 -1.888 -3.405 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.017 -2.815 -4.097 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.282 -1.155 -3.512 1.00 0.00 H new ATOM 161 N SER A 12 -9.765 -2.409 1.537 1.00 0.00 N ATOM 162 CA SER A 12 -10.736 -1.690 2.347 1.00 0.00 C ATOM 163 C SER A 12 -10.026 -0.951 3.482 1.00 0.00 C ATOM 164 O SER A 12 -9.105 -1.487 4.097 1.00 0.00 O ATOM 165 CB SER A 12 -11.793 -2.640 2.911 1.00 0.00 C ATOM 166 OG SER A 12 -11.284 -3.426 3.985 1.00 0.00 O ATOM 0 H SER A 12 -8.896 -2.639 2.018 1.00 0.00 H new ATOM 0 HA SER A 12 -11.242 -0.964 1.711 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.651 -2.064 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.150 -3.297 2.118 1.00 0.00 H new ATOM 0 HG SER A 12 -11.989 -4.019 4.319 1.00 0.00 H new ATOM 172 N ALA A 13 -10.480 0.271 3.724 1.00 0.00 N ATOM 173 CA ALA A 13 -9.900 1.091 4.774 1.00 0.00 C ATOM 174 C ALA A 13 -10.386 0.586 6.136 1.00 0.00 C ATOM 175 O ALA A 13 -11.490 0.918 6.566 1.00 0.00 O ATOM 176 CB ALA A 13 -10.258 2.559 4.533 1.00 0.00 C ATOM 0 H ALA A 13 -11.243 0.712 3.211 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.813 1.016 4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.823 3.174 5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.865 2.875 3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.342 2.675 4.539 1.00 0.00 H new ATOM 182 N VAL A 14 -9.538 -0.205 6.775 1.00 0.00 N ATOM 183 CA VAL A 14 -9.868 -0.757 8.078 1.00 0.00 C ATOM 184 C VAL A 14 -8.750 -0.422 9.067 1.00 0.00 C ATOM 185 O VAL A 14 -7.578 -0.678 8.796 1.00 0.00 O ATOM 186 CB VAL A 14 -10.129 -2.260 7.958 1.00 0.00 C ATOM 187 CG1 VAL A 14 -10.719 -2.607 6.590 1.00 0.00 C ATOM 188 CG2 VAL A 14 -8.853 -3.061 8.224 1.00 0.00 C ATOM 0 H VAL A 14 -8.623 -0.477 6.415 1.00 0.00 H new ATOM 0 HA VAL A 14 -10.786 -0.310 8.461 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.861 -2.534 8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.895 -3.681 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.662 -2.077 6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.021 -2.310 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.066 -4.126 8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.089 -2.780 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.493 -2.848 9.231 1.00 0.00 H new ATOM 198 N THR A 15 -9.152 0.148 10.194 1.00 0.00 N ATOM 199 CA THR A 15 -8.200 0.522 11.225 1.00 0.00 C ATOM 200 C THR A 15 -7.227 -0.629 11.495 1.00 0.00 C ATOM 201 O THR A 15 -7.617 -1.793 11.470 1.00 0.00 O ATOM 202 CB THR A 15 -8.988 0.955 12.462 1.00 0.00 C ATOM 203 OG1 THR A 15 -10.010 1.802 11.945 1.00 0.00 O ATOM 204 CG2 THR A 15 -8.175 1.869 13.384 1.00 0.00 C ATOM 0 H THR A 15 -10.125 0.360 10.415 1.00 0.00 H new ATOM 0 HA THR A 15 -7.581 1.361 10.907 1.00 0.00 H new ATOM 0 HB THR A 15 -9.307 0.072 13.016 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.570 2.126 12.681 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.781 2.147 14.247 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.282 1.343 13.722 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.883 2.768 12.840 1.00 0.00 H new ATOM 212 N CYS A 16 -5.979 -0.259 11.746 1.00 0.00 N ATOM 213 CA CYS A 16 -4.948 -1.246 12.021 1.00 0.00 C ATOM 214 C CYS A 16 -4.751 -1.326 13.535 1.00 0.00 C ATOM 215 O CYS A 16 -5.402 -0.606 14.289 1.00 0.00 O ATOM 216 CB CYS A 16 -3.644 -0.917 11.291 1.00 0.00 C ATOM 217 SG CYS A 16 -3.219 -2.265 10.130 1.00 0.00 S ATOM 0 H CYS A 16 -5.659 0.709 11.765 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.262 -2.220 11.646 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.749 0.022 10.748 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.838 -0.780 12.012 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.079 -1.778 8.933 1.00 0.00 H new ATOM 223 N PRO A 17 -3.826 -2.234 13.947 1.00 0.00 N ATOM 224 CA PRO A 17 -3.535 -2.419 15.358 1.00 0.00 C ATOM 225 C PRO A 17 -2.692 -1.263 15.901 1.00 0.00 C ATOM 226 O PRO A 17 -2.433 -0.291 15.189 1.00 0.00 O ATOM 227 CB PRO A 17 -2.825 -3.760 15.441 1.00 0.00 C ATOM 228 CG PRO A 17 -2.333 -4.059 14.035 1.00 0.00 C ATOM 229 CD PRO A 17 -3.034 -3.106 13.082 1.00 0.00 C ATOM 0 HA PRO A 17 -4.433 -2.419 15.975 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.994 -3.719 16.145 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.502 -4.539 15.792 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.252 -3.933 13.974 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.549 -5.093 13.767 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.316 -2.534 12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.667 -3.645 12.377 1.00 0.00 H new ATOM 237 N PRO A 18 -2.276 -1.408 17.186 1.00 0.00 N ATOM 238 CA PRO A 18 -1.467 -0.387 17.832 1.00 0.00 C ATOM 239 C PRO A 18 -0.024 -0.428 17.324 1.00 0.00 C ATOM 240 O PRO A 18 0.666 -1.433 17.484 1.00 0.00 O ATOM 241 CB PRO A 18 -1.581 -0.677 19.320 1.00 0.00 C ATOM 242 CG PRO A 18 -2.063 -2.115 19.427 1.00 0.00 C ATOM 243 CD PRO A 18 -2.561 -2.544 18.058 1.00 0.00 C ATOM 0 HA PRO A 18 -1.809 0.624 17.609 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.620 -0.549 19.818 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.282 0.007 19.799 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.253 -2.765 19.759 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.860 -2.196 20.166 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.050 -3.444 17.715 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.627 -2.770 18.078 1.00 0.00 H new ATOM 251 N GLY A 19 0.389 0.678 16.722 1.00 0.00 N ATOM 252 CA GLY A 19 1.738 0.781 16.189 1.00 0.00 C ATOM 253 C GLY A 19 1.774 1.699 14.965 1.00 0.00 C ATOM 254 O GLY A 19 2.539 2.662 14.930 1.00 0.00 O ATOM 0 H GLY A 19 -0.186 1.510 16.591 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.408 1.167 16.957 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.102 -0.210 15.916 1.00 0.00 H new ATOM 258 N GLU A 20 0.937 1.367 13.992 1.00 0.00 N ATOM 259 CA GLU A 20 0.866 2.149 12.769 1.00 0.00 C ATOM 260 C GLU A 20 0.287 3.536 13.060 1.00 0.00 C ATOM 261 O GLU A 20 -0.912 3.675 13.297 1.00 0.00 O ATOM 262 CB GLU A 20 0.044 1.424 11.702 1.00 0.00 C ATOM 263 CG GLU A 20 0.634 0.048 11.397 1.00 0.00 C ATOM 264 CD GLU A 20 0.115 -1.004 12.379 1.00 0.00 C ATOM 265 OE1 GLU A 20 -0.923 -0.790 13.024 1.00 0.00 O ATOM 266 OE2 GLU A 20 0.829 -2.075 12.460 1.00 0.00 O ATOM 0 H GLU A 20 0.303 0.568 14.026 1.00 0.00 H new ATOM 0 HA GLU A 20 1.877 2.273 12.380 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.985 1.315 12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.016 2.022 10.791 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.378 -0.243 10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.722 0.095 11.451 1.00 0.00 H new ATOM 274 N ASN A 21 1.166 4.527 13.029 1.00 0.00 N ATOM 275 CA ASN A 21 0.758 5.897 13.286 1.00 0.00 C ATOM 276 C ASN A 21 0.285 6.538 11.980 1.00 0.00 C ATOM 277 O ASN A 21 -0.018 7.730 11.943 1.00 0.00 O ATOM 278 CB ASN A 21 1.924 6.727 13.825 1.00 0.00 C ATOM 279 CG ASN A 21 2.680 5.969 14.919 1.00 0.00 C ATOM 280 OD1 ASN A 21 1.981 4.982 15.472 1.00 0.00 O flip ATOM 281 ND2 ASN A 21 3.821 6.260 15.238 1.00 0.00 N flip ATOM 0 H ASN A 21 2.159 4.408 12.830 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.042 5.877 14.026 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.606 6.973 13.011 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.550 7.670 14.224 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.300 7.030 14.772 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.296 5.733 15.971 1.00 0.00 H new ATOM 288 N LEU A 22 0.237 5.719 10.941 1.00 0.00 N ATOM 289 CA LEU A 22 -0.193 6.190 9.634 1.00 0.00 C ATOM 290 C LEU A 22 -0.337 4.997 8.689 1.00 0.00 C ATOM 291 O LEU A 22 -0.252 3.846 9.115 1.00 0.00 O ATOM 292 CB LEU A 22 0.754 7.274 9.118 1.00 0.00 C ATOM 293 CG LEU A 22 2.164 6.812 8.744 1.00 0.00 C ATOM 294 CD1 LEU A 22 2.432 7.024 7.253 1.00 0.00 C ATOM 295 CD2 LEU A 22 3.217 7.496 9.618 1.00 0.00 C ATOM 0 H LEU A 22 0.489 4.731 10.976 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.173 6.662 9.702 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.301 7.737 8.242 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.837 8.048 9.881 1.00 0.00 H new ATOM 0 HG LEU A 22 2.234 5.741 8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.441 6.688 7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.711 6.453 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.336 8.083 7.013 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.210 7.149 9.331 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.157 8.576 9.483 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.036 7.251 10.665 1.00 0.00 H new ATOM 307 N CYS A 23 -0.550 5.312 7.419 1.00 0.00 N ATOM 308 CA CYS A 23 -0.706 4.280 6.408 1.00 0.00 C ATOM 309 C CYS A 23 0.599 4.184 5.614 1.00 0.00 C ATOM 310 O CYS A 23 1.597 4.802 5.978 1.00 0.00 O ATOM 311 CB CYS A 23 -1.907 4.554 5.502 1.00 0.00 C ATOM 312 SG CYS A 23 -3.211 5.434 6.437 1.00 0.00 S ATOM 0 H CYS A 23 -0.618 6.267 7.068 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.908 3.323 6.889 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.597 5.152 4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.299 3.615 5.111 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.976 4.569 7.034 1.00 0.00 H new ATOM 318 N TYR A 24 0.547 3.403 4.545 1.00 0.00 N ATOM 319 CA TYR A 24 1.712 3.217 3.697 1.00 0.00 C ATOM 320 C TYR A 24 1.329 2.543 2.379 1.00 0.00 C ATOM 321 O TYR A 24 0.218 2.033 2.238 1.00 0.00 O ATOM 322 CB TYR A 24 2.656 2.296 4.473 1.00 0.00 C ATOM 323 CG TYR A 24 2.259 0.819 4.429 1.00 0.00 C ATOM 324 CD1 TYR A 24 1.409 0.305 5.387 1.00 0.00 C ATOM 325 CD2 TYR A 24 2.751 0.002 3.432 1.00 0.00 C ATOM 326 CE1 TYR A 24 1.035 -1.085 5.346 1.00 0.00 C ATOM 327 CE2 TYR A 24 2.377 -1.388 3.391 1.00 0.00 C ATOM 328 CZ TYR A 24 1.537 -1.863 4.351 1.00 0.00 C ATOM 329 OH TYR A 24 1.185 -3.176 4.311 1.00 0.00 O ATOM 0 H TYR A 24 -0.284 2.892 4.247 1.00 0.00 H new ATOM 0 HA TYR A 24 2.169 4.177 3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.663 2.403 4.071 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.691 2.621 5.513 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.024 0.945 6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.416 0.405 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.370 -1.500 6.089 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.754 -2.039 2.616 1.00 0.00 H new ATOM 0 HH TYR A 24 1.618 -3.608 3.545 1.00 0.00 H new ATOM 339 N ARG A 25 2.270 2.559 1.446 1.00 0.00 N ATOM 340 CA ARG A 25 2.044 1.955 0.144 1.00 0.00 C ATOM 341 C ARG A 25 3.277 1.159 -0.293 1.00 0.00 C ATOM 342 O ARG A 25 4.244 1.732 -0.793 1.00 0.00 O ATOM 343 CB ARG A 25 1.734 3.020 -0.910 1.00 0.00 C ATOM 344 CG ARG A 25 0.939 4.177 -0.303 1.00 0.00 C ATOM 345 CD ARG A 25 1.074 5.441 -1.153 1.00 0.00 C ATOM 346 NE ARG A 25 -0.261 5.906 -1.589 1.00 0.00 N ATOM 347 CZ ARG A 25 -0.485 6.624 -2.709 1.00 0.00 C ATOM 348 NH1 ARG A 25 0.538 6.968 -3.518 1.00 0.00 N ATOM 349 NH2 ARG A 25 -1.722 6.987 -3.001 1.00 0.00 N ATOM 0 H ARG A 25 3.191 2.981 1.566 1.00 0.00 H new ATOM 0 HA ARG A 25 1.188 1.286 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.664 3.397 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.167 2.574 -1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.112 3.899 -0.224 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.294 4.375 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.570 6.223 -0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.699 5.239 -2.023 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.063 5.669 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.490 6.685 -3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.360 7.511 -4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.490 6.724 -2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.909 7.530 -3.844 1.00 0.00 H new ATOM 363 N LYS A 26 3.201 -0.147 -0.086 1.00 0.00 N ATOM 364 CA LYS A 26 4.297 -1.027 -0.453 1.00 0.00 C ATOM 365 C LYS A 26 4.205 -1.358 -1.943 1.00 0.00 C ATOM 366 O LYS A 26 3.128 -1.292 -2.532 1.00 0.00 O ATOM 367 CB LYS A 26 4.319 -2.260 0.452 1.00 0.00 C ATOM 368 CG LYS A 26 5.606 -2.313 1.277 1.00 0.00 C ATOM 369 CD LYS A 26 5.546 -3.436 2.315 1.00 0.00 C ATOM 370 CE LYS A 26 5.260 -2.878 3.712 1.00 0.00 C ATOM 371 NZ LYS A 26 6.168 -3.487 4.709 1.00 0.00 N ATOM 0 H LYS A 26 2.398 -0.617 0.331 1.00 0.00 H new ATOM 0 HA LYS A 26 5.254 -0.529 -0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.457 -2.242 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.234 -3.162 -0.154 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.459 -2.468 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.761 -1.357 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.770 -4.150 2.039 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.491 -3.979 2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.386 -1.795 3.710 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.224 -3.078 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.961 -3.098 5.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.028 -4.518 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.154 -3.274 4.456 1.00 0.00 H new ATOM 385 N MET A 27 5.350 -1.708 -2.511 1.00 0.00 N ATOM 386 CA MET A 27 5.412 -2.048 -3.922 1.00 0.00 C ATOM 387 C MET A 27 6.515 -3.075 -4.190 1.00 0.00 C ATOM 388 O MET A 27 7.528 -3.099 -3.494 1.00 0.00 O ATOM 389 CB MET A 27 5.680 -0.785 -4.742 1.00 0.00 C ATOM 390 CG MET A 27 4.434 -0.364 -5.525 1.00 0.00 C ATOM 391 SD MET A 27 4.481 1.390 -5.850 1.00 0.00 S ATOM 392 CE MET A 27 2.783 1.661 -6.330 1.00 0.00 C ATOM 0 H MET A 27 6.242 -1.763 -2.019 1.00 0.00 H new ATOM 0 HA MET A 27 4.456 -2.484 -4.213 1.00 0.00 H new ATOM 0 HB2 MET A 27 5.988 0.024 -4.080 1.00 0.00 H new ATOM 0 HB3 MET A 27 6.504 -0.964 -5.432 1.00 0.00 H new ATOM 0 HG2 MET A 27 4.381 -0.915 -6.464 1.00 0.00 H new ATOM 0 HG3 MET A 27 3.537 -0.613 -4.958 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.425 2.593 -5.892 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.717 1.722 -7.416 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.168 0.834 -5.975 1.00 0.00 H new ATOM 402 N TRP A 28 6.279 -3.898 -5.202 1.00 0.00 N ATOM 403 CA TRP A 28 7.240 -4.924 -5.570 1.00 0.00 C ATOM 404 C TRP A 28 6.849 -5.465 -6.948 1.00 0.00 C ATOM 405 O TRP A 28 7.124 -4.834 -7.966 1.00 0.00 O ATOM 406 CB TRP A 28 7.314 -6.015 -4.499 1.00 0.00 C ATOM 407 CG TRP A 28 5.998 -6.250 -3.756 1.00 0.00 C ATOM 408 CD1 TRP A 28 4.838 -6.701 -4.256 1.00 0.00 C ATOM 409 CD2 TRP A 28 5.751 -6.027 -2.353 1.00 0.00 C ATOM 410 NE1 TRP A 28 3.866 -6.785 -3.280 1.00 0.00 N ATOM 411 CE2 TRP A 28 4.439 -6.361 -2.086 1.00 0.00 C ATOM 412 CE3 TRP A 28 6.607 -5.558 -1.342 1.00 0.00 C ATOM 413 CZ2 TRP A 28 3.866 -6.262 -0.813 1.00 0.00 C ATOM 414 CZ3 TRP A 28 6.021 -5.464 -0.074 1.00 0.00 C ATOM 415 CH2 TRP A 28 4.702 -5.798 0.211 1.00 0.00 C ATOM 0 H TRP A 28 5.437 -3.875 -5.778 1.00 0.00 H new ATOM 0 HA TRP A 28 8.245 -4.507 -5.631 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.626 -6.948 -4.967 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.085 -5.748 -3.776 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.684 -6.965 -5.292 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.905 -7.100 -3.410 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.637 -5.291 -1.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.836 -6.529 -0.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.636 -5.107 0.739 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.323 -5.700 1.218 1.00 0.00 H new ATOM 426 N CYS A 29 6.213 -6.627 -6.933 1.00 0.00 N ATOM 427 CA CYS A 29 5.781 -7.259 -8.168 1.00 0.00 C ATOM 428 C CYS A 29 4.964 -8.502 -7.812 1.00 0.00 C ATOM 429 O CYS A 29 5.456 -9.400 -7.130 1.00 0.00 O ATOM 430 CB CYS A 29 6.967 -7.598 -9.073 1.00 0.00 C ATOM 431 SG CYS A 29 6.901 -6.585 -10.596 1.00 0.00 S ATOM 0 H CYS A 29 5.986 -7.147 -6.085 1.00 0.00 H new ATOM 0 HA CYS A 29 5.159 -6.567 -8.735 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.903 -7.415 -8.545 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.948 -8.657 -9.330 1.00 0.00 H new ATOM 0 HG CYS A 29 7.236 -7.315 -11.618 1.00 0.00 H new ATOM 437 N ASP A 30 3.727 -8.514 -8.287 1.00 0.00 N ATOM 438 CA ASP A 30 2.835 -9.632 -8.027 1.00 0.00 C ATOM 439 C ASP A 30 3.555 -10.940 -8.359 1.00 0.00 C ATOM 440 O ASP A 30 4.700 -10.927 -8.808 1.00 0.00 O ATOM 441 CB ASP A 30 1.579 -9.547 -8.897 1.00 0.00 C ATOM 442 CG ASP A 30 0.476 -10.544 -8.536 1.00 0.00 C ATOM 443 OD1 ASP A 30 0.395 -11.023 -7.394 1.00 0.00 O ATOM 444 OD2 ASP A 30 -0.337 -10.829 -9.497 1.00 0.00 O ATOM 0 H ASP A 30 3.321 -7.767 -8.851 1.00 0.00 H new ATOM 0 HA ASP A 30 2.548 -9.599 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.174 -8.538 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.864 -9.704 -9.937 1.00 0.00 H new ATOM 450 N ALA A 31 2.853 -12.040 -8.125 1.00 0.00 N ATOM 451 CA ALA A 31 3.410 -13.355 -8.394 1.00 0.00 C ATOM 452 C ALA A 31 3.480 -13.575 -9.905 1.00 0.00 C ATOM 453 O ALA A 31 3.946 -14.617 -10.364 1.00 0.00 O ATOM 454 CB ALA A 31 2.569 -14.419 -7.687 1.00 0.00 C ATOM 0 H ALA A 31 1.904 -12.047 -7.752 1.00 0.00 H new ATOM 0 HA ALA A 31 4.425 -13.430 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.986 -15.406 -7.888 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.577 -14.234 -6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.544 -14.377 -8.055 1.00 0.00 H new ATOM 460 N PHE A 32 3.010 -12.576 -10.639 1.00 0.00 N ATOM 461 CA PHE A 32 3.012 -12.649 -12.091 1.00 0.00 C ATOM 462 C PHE A 32 3.903 -11.561 -12.692 1.00 0.00 C ATOM 463 O PHE A 32 4.253 -11.620 -13.871 1.00 0.00 O ATOM 464 CB PHE A 32 1.571 -12.425 -12.553 1.00 0.00 C ATOM 465 CG PHE A 32 0.621 -13.573 -12.204 1.00 0.00 C ATOM 466 CD1 PHE A 32 0.430 -13.927 -10.905 1.00 0.00 C ATOM 467 CD2 PHE A 32 -0.035 -14.236 -13.193 1.00 0.00 C ATOM 468 CE1 PHE A 32 -0.452 -14.992 -10.582 1.00 0.00 C ATOM 469 CE2 PHE A 32 -0.917 -15.301 -12.870 1.00 0.00 C ATOM 470 CZ PHE A 32 -1.108 -15.655 -11.571 1.00 0.00 C ATOM 0 H PHE A 32 2.626 -11.712 -10.256 1.00 0.00 H new ATOM 0 HA PHE A 32 3.396 -13.616 -12.415 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.195 -11.506 -12.104 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.565 -12.277 -13.633 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.949 -13.398 -10.119 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.115 -13.953 -14.224 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.602 -15.275 -9.551 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.436 -15.830 -13.656 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.781 -16.463 -11.325 1.00 0.00 H new ATOM 480 N CYS A 33 4.247 -10.593 -11.856 1.00 0.00 N ATOM 481 CA CYS A 33 5.091 -9.493 -12.290 1.00 0.00 C ATOM 482 C CYS A 33 4.740 -9.161 -13.742 1.00 0.00 C ATOM 483 O CYS A 33 5.589 -9.254 -14.627 1.00 0.00 O ATOM 484 CB CYS A 33 6.577 -9.819 -12.122 1.00 0.00 C ATOM 485 SG CYS A 33 7.582 -8.717 -13.183 1.00 0.00 S ATOM 0 H CYS A 33 3.956 -10.548 -10.879 1.00 0.00 H new ATOM 0 HA CYS A 33 4.905 -8.620 -11.664 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.869 -9.699 -11.079 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.762 -10.860 -12.386 1.00 0.00 H new ATOM 0 HG CYS A 33 7.165 -8.799 -14.412 1.00 0.00 H new ATOM 491 N SER A 34 3.486 -8.785 -13.942 1.00 0.00 N ATOM 492 CA SER A 34 3.011 -8.441 -15.272 1.00 0.00 C ATOM 493 C SER A 34 3.585 -7.089 -15.699 1.00 0.00 C ATOM 494 O SER A 34 4.288 -6.437 -14.928 1.00 0.00 O ATOM 495 CB SER A 34 1.482 -8.407 -15.319 1.00 0.00 C ATOM 496 OG SER A 34 0.914 -9.702 -15.142 1.00 0.00 O ATOM 0 H SER A 34 2.784 -8.711 -13.206 1.00 0.00 H new ATOM 0 HA SER A 34 3.352 -9.209 -15.966 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.110 -7.739 -14.542 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.158 -7.996 -16.275 1.00 0.00 H new ATOM 0 HG SER A 34 -0.063 -9.638 -15.177 1.00 0.00 H new ATOM 502 N SER A 35 3.263 -6.706 -16.926 1.00 0.00 N ATOM 503 CA SER A 35 3.738 -5.443 -17.464 1.00 0.00 C ATOM 504 C SER A 35 3.155 -4.279 -16.661 1.00 0.00 C ATOM 505 O SER A 35 3.562 -3.131 -16.839 1.00 0.00 O ATOM 506 CB SER A 35 3.374 -5.302 -18.944 1.00 0.00 C ATOM 507 OG SER A 35 3.724 -6.463 -19.693 1.00 0.00 O ATOM 0 H SER A 35 2.679 -7.248 -17.563 1.00 0.00 H new ATOM 0 HA SER A 35 4.825 -5.424 -17.382 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.304 -5.119 -19.038 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.884 -4.434 -19.362 1.00 0.00 H new ATOM 0 HG SER A 35 3.474 -6.334 -20.632 1.00 0.00 H new ATOM 513 N ARG A 36 2.209 -4.614 -15.796 1.00 0.00 N ATOM 514 CA ARG A 36 1.565 -3.610 -14.965 1.00 0.00 C ATOM 515 C ARG A 36 2.560 -3.040 -13.953 1.00 0.00 C ATOM 516 O ARG A 36 2.204 -2.194 -13.135 1.00 0.00 O ATOM 517 CB ARG A 36 0.368 -4.201 -14.217 1.00 0.00 C ATOM 518 CG ARG A 36 -0.574 -4.928 -15.177 1.00 0.00 C ATOM 519 CD ARG A 36 -1.290 -3.938 -16.099 1.00 0.00 C ATOM 520 NE ARG A 36 -2.543 -3.471 -15.464 1.00 0.00 N ATOM 521 CZ ARG A 36 -3.586 -2.950 -16.143 1.00 0.00 C ATOM 522 NH1 ARG A 36 -3.535 -2.821 -17.486 1.00 0.00 N ATOM 523 NH2 ARG A 36 -4.657 -2.566 -15.474 1.00 0.00 N ATOM 0 H ARG A 36 1.873 -5.566 -15.652 1.00 0.00 H new ATOM 0 HA ARG A 36 1.213 -2.813 -15.620 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.719 -4.894 -13.452 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.173 -3.406 -13.703 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.009 -5.643 -15.775 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.309 -5.498 -14.609 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.640 -3.088 -16.309 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.512 -4.413 -17.055 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.623 -3.548 -14.450 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.703 -3.119 -17.996 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.328 -2.426 -17.991 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.687 -2.665 -14.459 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.454 -2.170 -15.972 1.00 0.00 H new ATOM 537 N GLY A 37 3.791 -3.528 -14.040 1.00 0.00 N ATOM 538 CA GLY A 37 4.839 -3.078 -13.142 1.00 0.00 C ATOM 539 C GLY A 37 4.799 -3.849 -11.821 1.00 0.00 C ATOM 540 O GLY A 37 4.762 -5.079 -11.817 1.00 0.00 O ATOM 0 H GLY A 37 4.084 -4.230 -14.719 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.811 -3.212 -13.616 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.723 -2.012 -12.948 1.00 0.00 H new ATOM 544 N LYS A 38 4.805 -3.094 -10.731 1.00 0.00 N ATOM 545 CA LYS A 38 4.770 -3.691 -9.408 1.00 0.00 C ATOM 546 C LYS A 38 3.325 -3.721 -8.905 1.00 0.00 C ATOM 547 O LYS A 38 2.393 -3.483 -9.671 1.00 0.00 O ATOM 548 CB LYS A 38 5.734 -2.966 -8.467 1.00 0.00 C ATOM 549 CG LYS A 38 6.914 -2.376 -9.241 1.00 0.00 C ATOM 550 CD LYS A 38 7.432 -3.362 -10.289 1.00 0.00 C ATOM 551 CE LYS A 38 8.960 -3.348 -10.348 1.00 0.00 C ATOM 552 NZ LYS A 38 9.490 -4.729 -10.403 1.00 0.00 N ATOM 0 H LYS A 38 4.834 -2.074 -10.738 1.00 0.00 H new ATOM 0 HA LYS A 38 5.116 -4.724 -9.447 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.206 -2.171 -7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.101 -3.660 -7.711 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.607 -1.450 -9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.716 -2.121 -8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.083 -4.367 -10.052 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.025 -3.106 -11.267 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.291 -2.790 -11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.359 -2.834 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.948 -4.961 -9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.709 -5.394 -10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.186 -4.803 -11.172 1.00 0.00 H new ATOM 566 N VAL A 39 3.185 -4.014 -7.621 1.00 0.00 N ATOM 567 CA VAL A 39 1.869 -4.078 -7.007 1.00 0.00 C ATOM 568 C VAL A 39 1.666 -2.849 -6.119 1.00 0.00 C ATOM 569 O VAL A 39 2.384 -1.858 -6.250 1.00 0.00 O ATOM 570 CB VAL A 39 1.711 -5.397 -6.248 1.00 0.00 C ATOM 571 CG1 VAL A 39 0.235 -5.785 -6.127 1.00 0.00 C ATOM 572 CG2 VAL A 39 2.518 -6.513 -6.912 1.00 0.00 C ATOM 0 H VAL A 39 3.961 -4.210 -6.988 1.00 0.00 H new ATOM 0 HA VAL A 39 1.090 -4.061 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 39 2.105 -5.254 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.150 -6.726 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.303 -5.005 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.194 -5.901 -7.123 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.388 -7.439 -6.352 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.169 -6.655 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.574 -6.241 -6.923 1.00 0.00 H new ATOM 582 N VAL A 40 0.685 -2.952 -5.234 1.00 0.00 N ATOM 583 CA VAL A 40 0.378 -1.862 -4.325 1.00 0.00 C ATOM 584 C VAL A 40 -0.261 -2.426 -3.055 1.00 0.00 C ATOM 585 O VAL A 40 -1.473 -2.330 -2.870 1.00 0.00 O ATOM 586 CB VAL A 40 -0.504 -0.827 -5.029 1.00 0.00 C ATOM 587 CG1 VAL A 40 -0.357 0.550 -4.379 1.00 0.00 C ATOM 588 CG2 VAL A 40 -0.189 -0.765 -6.525 1.00 0.00 C ATOM 0 H VAL A 40 0.092 -3.775 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 40 1.290 -1.345 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.542 -1.140 -4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.994 1.267 -4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.654 0.492 -3.332 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.682 0.874 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.829 -0.022 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.856 -0.487 -6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.369 -1.741 -6.975 1.00 0.00 H new ATOM 598 N GLU A 41 0.583 -3.004 -2.213 1.00 0.00 N ATOM 599 CA GLU A 41 0.116 -3.585 -0.965 1.00 0.00 C ATOM 600 C GLU A 41 0.155 -2.542 0.153 1.00 0.00 C ATOM 601 O GLU A 41 0.963 -2.645 1.074 1.00 0.00 O ATOM 602 CB GLU A 41 0.939 -4.819 -0.593 1.00 0.00 C ATOM 603 CG GLU A 41 1.215 -5.686 -1.825 1.00 0.00 C ATOM 604 CD GLU A 41 1.017 -7.169 -1.506 1.00 0.00 C ATOM 605 OE1 GLU A 41 0.867 -7.537 -0.332 1.00 0.00 O ATOM 606 OE2 GLU A 41 1.020 -7.951 -2.532 1.00 0.00 O ATOM 0 H GLU A 41 1.588 -3.083 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.917 -3.906 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.882 -4.509 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.405 -5.404 0.156 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.550 -5.393 -2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.235 -5.518 -2.172 1.00 0.00 H new ATOM 614 N LEU A 42 -0.728 -1.561 0.035 1.00 0.00 N ATOM 615 CA LEU A 42 -0.803 -0.498 1.025 1.00 0.00 C ATOM 616 C LEU A 42 -1.288 -1.082 2.355 1.00 0.00 C ATOM 617 O LEU A 42 -1.488 -2.289 2.471 1.00 0.00 O ATOM 618 CB LEU A 42 -1.665 0.655 0.509 1.00 0.00 C ATOM 619 CG LEU A 42 -1.634 0.889 -1.003 1.00 0.00 C ATOM 620 CD1 LEU A 42 -2.880 0.309 -1.674 1.00 0.00 C ATOM 621 CD2 LEU A 42 -1.452 2.375 -1.323 1.00 0.00 C ATOM 0 H LEU A 42 -1.397 -1.479 -0.730 1.00 0.00 H new ATOM 0 HA LEU A 42 0.184 -0.071 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.697 0.473 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.346 1.572 1.005 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.773 0.361 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.832 0.489 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.927 -0.764 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.770 0.788 -1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.433 2.515 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.280 2.943 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.513 2.727 -0.895 1.00 0.00 H new ATOM 633 N GLY A 43 -1.461 -0.195 3.323 1.00 0.00 N ATOM 634 CA GLY A 43 -1.918 -0.605 4.641 1.00 0.00 C ATOM 635 C GLY A 43 -1.502 0.410 5.706 1.00 0.00 C ATOM 636 O GLY A 43 -1.412 1.605 5.429 1.00 0.00 O ATOM 0 H GLY A 43 -1.293 0.806 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.003 -0.709 4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.504 -1.584 4.885 1.00 0.00 H new ATOM 640 N CYS A 44 -1.262 -0.101 6.904 1.00 0.00 N ATOM 641 CA CYS A 44 -0.859 0.747 8.013 1.00 0.00 C ATOM 642 C CYS A 44 0.598 0.427 8.358 1.00 0.00 C ATOM 643 O CYS A 44 1.071 -0.678 8.102 1.00 0.00 O ATOM 644 CB CYS A 44 -1.781 0.574 9.221 1.00 0.00 C ATOM 645 SG CYS A 44 -3.531 0.695 8.696 1.00 0.00 S ATOM 0 H CYS A 44 -1.339 -1.092 7.131 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.942 1.794 7.722 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.600 -0.392 9.692 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.563 1.338 9.967 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.829 1.938 8.461 1.00 0.00 H new ATOM 651 N ALA A 45 1.266 1.416 8.932 1.00 0.00 N ATOM 652 CA ALA A 45 2.659 1.255 9.313 1.00 0.00 C ATOM 653 C ALA A 45 3.063 2.397 10.247 1.00 0.00 C ATOM 654 O ALA A 45 2.600 3.527 10.089 1.00 0.00 O ATOM 655 CB ALA A 45 3.529 1.194 8.056 1.00 0.00 C ATOM 0 H ALA A 45 0.869 2.332 9.143 1.00 0.00 H new ATOM 0 HA ALA A 45 2.803 0.320 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.574 1.073 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.221 0.348 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.413 2.117 7.488 1.00 0.00 H new ATOM 661 N ALA A 46 3.923 2.065 11.199 1.00 0.00 N ATOM 662 CA ALA A 46 4.394 3.050 12.157 1.00 0.00 C ATOM 663 C ALA A 46 4.919 4.275 11.407 1.00 0.00 C ATOM 664 O ALA A 46 4.574 5.408 11.742 1.00 0.00 O ATOM 665 CB ALA A 46 5.458 2.418 13.058 1.00 0.00 C ATOM 0 H ALA A 46 4.305 1.128 11.327 1.00 0.00 H new ATOM 0 HA ALA A 46 3.578 3.381 12.799 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.812 3.157 13.777 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.027 1.571 13.591 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.294 2.076 12.448 1.00 0.00 H new ATOM 671 N THR A 47 5.746 4.008 10.408 1.00 0.00 N ATOM 672 CA THR A 47 6.323 5.076 9.607 1.00 0.00 C ATOM 673 C THR A 47 6.823 4.528 8.270 1.00 0.00 C ATOM 674 O THR A 47 7.026 3.323 8.125 1.00 0.00 O ATOM 675 CB THR A 47 7.418 5.748 10.437 1.00 0.00 C ATOM 676 OG1 THR A 47 8.211 4.664 10.913 1.00 0.00 O ATOM 677 CG2 THR A 47 6.873 6.397 11.712 1.00 0.00 C ATOM 0 H THR A 47 6.031 3.068 10.134 1.00 0.00 H new ATOM 0 HA THR A 47 5.577 5.830 9.354 1.00 0.00 H new ATOM 0 HB THR A 47 7.919 6.502 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.946 5.012 11.460 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.692 6.859 12.264 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.138 7.158 11.448 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.400 5.637 12.334 1.00 0.00 H new ATOM 685 N CYS A 48 7.010 5.439 7.327 1.00 0.00 N ATOM 686 CA CYS A 48 7.483 5.062 6.005 1.00 0.00 C ATOM 687 C CYS A 48 8.435 3.874 6.156 1.00 0.00 C ATOM 688 O CYS A 48 9.616 4.053 6.457 1.00 0.00 O ATOM 689 CB CYS A 48 8.148 6.238 5.286 1.00 0.00 C ATOM 690 SG CYS A 48 7.713 7.808 6.120 1.00 0.00 S ATOM 0 H CYS A 48 6.843 6.437 7.451 1.00 0.00 H new ATOM 0 HA CYS A 48 6.637 4.771 5.382 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.230 6.107 5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 48 7.826 6.268 4.245 1.00 0.00 H new ATOM 0 HG CYS A 48 6.443 7.816 6.395 1.00 0.00 H new ATOM 696 N PRO A 49 7.873 2.656 5.937 1.00 0.00 N ATOM 697 CA PRO A 49 8.660 1.439 6.045 1.00 0.00 C ATOM 698 C PRO A 49 9.580 1.271 4.835 1.00 0.00 C ATOM 699 O PRO A 49 10.389 0.344 4.789 1.00 0.00 O ATOM 700 CB PRO A 49 7.637 0.321 6.174 1.00 0.00 C ATOM 701 CG PRO A 49 6.324 0.896 5.668 1.00 0.00 C ATOM 702 CD PRO A 49 6.480 2.405 5.580 1.00 0.00 C ATOM 0 HA PRO A 49 9.333 1.447 6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.934 -0.549 5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.546 -0.008 7.209 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.076 0.480 4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 49 5.508 0.635 6.342 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.257 2.768 4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.799 2.914 6.262 1.00 0.00 H new ATOM 710 N SER A 50 9.427 2.180 3.886 1.00 0.00 N ATOM 711 CA SER A 50 10.234 2.144 2.678 1.00 0.00 C ATOM 712 C SER A 50 11.550 1.414 2.950 1.00 0.00 C ATOM 713 O SER A 50 12.157 1.592 4.005 1.00 0.00 O ATOM 714 CB SER A 50 10.510 3.556 2.156 1.00 0.00 C ATOM 715 OG SER A 50 10.089 3.717 0.804 1.00 0.00 O ATOM 0 H SER A 50 8.756 2.947 3.928 1.00 0.00 H new ATOM 0 HA SER A 50 9.677 1.605 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.995 4.282 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.576 3.768 2.231 1.00 0.00 H new ATOM 0 HG SER A 50 9.172 3.386 0.705 1.00 0.00 H new ATOM 721 N LYS A 51 11.954 0.607 1.979 1.00 0.00 N ATOM 722 CA LYS A 51 13.186 -0.153 2.102 1.00 0.00 C ATOM 723 C LYS A 51 14.328 0.627 1.444 1.00 0.00 C ATOM 724 O LYS A 51 14.701 1.702 1.912 1.00 0.00 O ATOM 725 CB LYS A 51 13.005 -1.565 1.542 1.00 0.00 C ATOM 726 CG LYS A 51 12.458 -2.512 2.611 1.00 0.00 C ATOM 727 CD LYS A 51 13.592 -3.122 3.436 1.00 0.00 C ATOM 728 CE LYS A 51 14.228 -2.075 4.352 1.00 0.00 C ATOM 729 NZ LYS A 51 13.206 -1.464 5.231 1.00 0.00 N ATOM 0 H LYS A 51 11.450 0.463 1.104 1.00 0.00 H new ATOM 0 HA LYS A 51 13.449 -0.283 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.324 -1.538 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 51 13.960 -1.939 1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.777 -1.970 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.880 -3.306 2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.208 -3.948 4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.349 -3.536 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.007 -2.538 4.958 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.709 -1.302 3.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.674 -0.884 5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.574 -0.864 4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.651 -2.214 5.691 1.00 0.00 H new ATOM 743 N LYS A 52 14.851 0.055 0.369 1.00 0.00 N ATOM 744 CA LYS A 52 15.940 0.683 -0.357 1.00 0.00 C ATOM 745 C LYS A 52 15.954 0.165 -1.798 1.00 0.00 C ATOM 746 O LYS A 52 15.958 0.951 -2.743 1.00 0.00 O ATOM 747 CB LYS A 52 17.264 0.478 0.382 1.00 0.00 C ATOM 748 CG LYS A 52 17.174 0.987 1.821 1.00 0.00 C ATOM 749 CD LYS A 52 16.870 -0.156 2.791 1.00 0.00 C ATOM 750 CE LYS A 52 16.749 0.359 4.226 1.00 0.00 C ATOM 751 NZ LYS A 52 18.089 0.510 4.837 1.00 0.00 N ATOM 0 H LYS A 52 14.540 -0.837 -0.016 1.00 0.00 H new ATOM 0 HA LYS A 52 15.792 1.762 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.524 -0.581 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.063 1.002 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.113 1.465 2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.395 1.746 1.893 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.943 -0.649 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.660 -0.905 2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.230 1.317 4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.149 -0.332 4.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.989 0.860 5.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 18.571 -0.411 4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 18.650 1.187 4.281 1.00 0.00 H new ATOM 765 N PRO A 53 15.961 -1.189 -1.921 1.00 0.00 N ATOM 766 CA PRO A 53 15.973 -1.822 -3.229 1.00 0.00 C ATOM 767 C PRO A 53 14.598 -1.732 -3.894 1.00 0.00 C ATOM 768 O PRO A 53 14.189 -0.663 -4.340 1.00 0.00 O ATOM 769 CB PRO A 53 16.417 -3.252 -2.970 1.00 0.00 C ATOM 770 CG PRO A 53 16.188 -3.498 -1.489 1.00 0.00 C ATOM 771 CD PRO A 53 15.957 -2.151 -0.822 1.00 0.00 C ATOM 0 HA PRO A 53 16.649 -1.331 -3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 53 15.844 -3.954 -3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 53 17.467 -3.388 -3.231 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.328 -4.151 -1.339 1.00 0.00 H new ATOM 0 HG3 PRO A 53 17.049 -4.000 -1.048 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.010 -2.133 -0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 53 16.740 -1.928 -0.097 1.00 0.00 H new ATOM 779 N TYR A 54 13.923 -2.871 -3.939 1.00 0.00 N ATOM 780 CA TYR A 54 12.604 -2.936 -4.542 1.00 0.00 C ATOM 781 C TYR A 54 11.526 -2.480 -3.556 1.00 0.00 C ATOM 782 O TYR A 54 10.728 -1.597 -3.868 1.00 0.00 O ATOM 783 CB TYR A 54 12.369 -4.408 -4.889 1.00 0.00 C ATOM 784 CG TYR A 54 12.939 -5.387 -3.861 1.00 0.00 C ATOM 785 CD1 TYR A 54 14.295 -5.649 -3.835 1.00 0.00 C ATOM 786 CD2 TYR A 54 12.099 -6.010 -2.959 1.00 0.00 C ATOM 787 CE1 TYR A 54 14.831 -6.570 -2.867 1.00 0.00 C ATOM 788 CE2 TYR A 54 12.637 -6.931 -1.993 1.00 0.00 C ATOM 789 CZ TYR A 54 13.976 -7.166 -1.995 1.00 0.00 C ATOM 790 OH TYR A 54 14.484 -8.037 -1.081 1.00 0.00 O ATOM 0 H TYR A 54 14.266 -3.757 -3.567 1.00 0.00 H new ATOM 0 HA TYR A 54 12.551 -2.287 -5.416 1.00 0.00 H new ATOM 0 HB2 TYR A 54 11.297 -4.581 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.815 -4.617 -5.861 1.00 0.00 H new ATOM 0 HD1 TYR A 54 14.953 -5.163 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 54 11.039 -5.806 -2.979 1.00 0.00 H new ATOM 0 HE1 TYR A 54 15.889 -6.783 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.991 -7.425 -1.282 1.00 0.00 H new ATOM 0 HH TYR A 54 13.758 -8.386 -0.523 1.00 0.00 H new ATOM 800 N GLU A 55 11.540 -3.101 -2.385 1.00 0.00 N ATOM 801 CA GLU A 55 10.574 -2.769 -1.352 1.00 0.00 C ATOM 802 C GLU A 55 10.279 -1.268 -1.362 1.00 0.00 C ATOM 803 O GLU A 55 10.707 -0.542 -0.466 1.00 0.00 O ATOM 804 CB GLU A 55 11.066 -3.223 0.024 1.00 0.00 C ATOM 805 CG GLU A 55 10.652 -4.668 0.306 1.00 0.00 C ATOM 806 CD GLU A 55 10.923 -5.041 1.764 1.00 0.00 C ATOM 807 OE1 GLU A 55 10.120 -4.710 2.649 1.00 0.00 O ATOM 808 OE2 GLU A 55 12.014 -5.701 1.965 1.00 0.00 O ATOM 0 H GLU A 55 12.205 -3.831 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 55 9.647 -3.302 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.151 -3.136 0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.659 -2.568 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.592 -4.796 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.199 -5.342 -0.353 1.00 0.00 H new ATOM 816 N GLU A 56 9.551 -0.847 -2.386 1.00 0.00 N ATOM 817 CA GLU A 56 9.195 0.554 -2.524 1.00 0.00 C ATOM 818 C GLU A 56 7.916 0.857 -1.740 1.00 0.00 C ATOM 819 O GLU A 56 6.815 0.757 -2.278 1.00 0.00 O ATOM 820 CB GLU A 56 9.038 0.937 -3.996 1.00 0.00 C ATOM 821 CG GLU A 56 9.938 2.120 -4.354 1.00 0.00 C ATOM 822 CD GLU A 56 9.315 2.967 -5.467 1.00 0.00 C ATOM 823 OE1 GLU A 56 8.895 4.107 -5.218 1.00 0.00 O ATOM 824 OE2 GLU A 56 9.276 2.401 -6.625 1.00 0.00 O ATOM 0 H GLU A 56 9.198 -1.452 -3.128 1.00 0.00 H new ATOM 0 HA GLU A 56 10.003 1.156 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.286 0.083 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.998 1.192 -4.200 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.102 2.737 -3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.914 1.755 -4.673 1.00 0.00 H new ATOM 832 N VAL A 57 8.105 1.223 -0.481 1.00 0.00 N ATOM 833 CA VAL A 57 6.980 1.541 0.384 1.00 0.00 C ATOM 834 C VAL A 57 6.783 3.057 0.420 1.00 0.00 C ATOM 835 O VAL A 57 7.709 3.814 0.134 1.00 0.00 O ATOM 836 CB VAL A 57 7.198 0.933 1.770 1.00 0.00 C ATOM 837 CG1 VAL A 57 5.875 0.804 2.528 1.00 0.00 C ATOM 838 CG2 VAL A 57 7.908 -0.419 1.672 1.00 0.00 C ATOM 0 H VAL A 57 9.020 1.307 -0.038 1.00 0.00 H new ATOM 0 HA VAL A 57 6.061 1.103 -0.007 1.00 0.00 H new ATOM 0 HB VAL A 57 7.842 1.609 2.333 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.059 0.369 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.426 1.790 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.196 0.161 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.050 -0.829 2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.302 -1.106 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.878 -0.287 1.193 1.00 0.00 H new ATOM 848 N THR A 58 5.571 3.456 0.773 1.00 0.00 N ATOM 849 CA THR A 58 5.240 4.869 0.850 1.00 0.00 C ATOM 850 C THR A 58 4.622 5.199 2.209 1.00 0.00 C ATOM 851 O THR A 58 4.989 4.606 3.223 1.00 0.00 O ATOM 852 CB THR A 58 4.326 5.206 -0.331 1.00 0.00 C ATOM 853 OG1 THR A 58 4.798 4.369 -1.384 1.00 0.00 O ATOM 854 CG2 THR A 58 4.546 6.626 -0.856 1.00 0.00 C ATOM 0 H THR A 58 4.805 2.825 1.009 1.00 0.00 H new ATOM 0 HA THR A 58 6.134 5.489 0.776 1.00 0.00 H new ATOM 0 HB THR A 58 3.285 5.089 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.504 3.448 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.873 6.813 -1.693 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.344 7.343 -0.061 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.578 6.735 -1.189 1.00 0.00 H new ATOM 862 N CYS A 59 3.696 6.146 2.188 1.00 0.00 N ATOM 863 CA CYS A 59 3.023 6.563 3.408 1.00 0.00 C ATOM 864 C CYS A 59 1.635 7.088 3.036 1.00 0.00 C ATOM 865 O CYS A 59 1.319 7.235 1.856 1.00 0.00 O ATOM 866 CB CYS A 59 3.841 7.603 4.176 1.00 0.00 C ATOM 867 SG CYS A 59 5.115 6.772 5.193 1.00 0.00 S ATOM 0 H CYS A 59 3.395 6.637 1.346 1.00 0.00 H new ATOM 0 HA CYS A 59 2.919 5.711 4.079 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.315 8.293 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.185 8.195 4.813 1.00 0.00 H new ATOM 0 HG CYS A 59 6.257 7.371 5.033 1.00 0.00 H new ATOM 873 N CYS A 60 0.845 7.357 4.064 1.00 0.00 N ATOM 874 CA CYS A 60 -0.502 7.862 3.861 1.00 0.00 C ATOM 875 C CYS A 60 -1.155 8.059 5.230 1.00 0.00 C ATOM 876 O CYS A 60 -1.372 7.094 5.962 1.00 0.00 O ATOM 877 CB CYS A 60 -1.326 6.934 2.964 1.00 0.00 C ATOM 878 SG CYS A 60 -2.990 6.687 3.682 1.00 0.00 S ATOM 0 H CYS A 60 1.112 7.235 5.041 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.458 8.819 3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.412 7.362 1.965 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.821 5.974 2.858 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.891 6.559 4.972 1.00 0.00 H new ATOM 884 N SER A 61 -1.449 9.314 5.535 1.00 0.00 N ATOM 885 CA SER A 61 -2.071 9.649 6.806 1.00 0.00 C ATOM 886 C SER A 61 -3.513 10.108 6.576 1.00 0.00 C ATOM 887 O SER A 61 -4.392 9.836 7.392 1.00 0.00 O ATOM 888 CB SER A 61 -1.279 10.733 7.538 1.00 0.00 C ATOM 889 OG SER A 61 -1.510 12.027 6.989 1.00 0.00 O ATOM 0 H SER A 61 -1.268 10.111 4.925 1.00 0.00 H new ATOM 0 HA SER A 61 -2.075 8.756 7.432 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.554 10.733 8.593 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.215 10.502 7.486 1.00 0.00 H new ATOM 0 HG SER A 61 -0.987 12.691 7.485 1.00 0.00 H new ATOM 895 N THR A 62 -3.710 10.797 5.461 1.00 0.00 N ATOM 896 CA THR A 62 -5.029 11.297 5.115 1.00 0.00 C ATOM 897 C THR A 62 -6.073 10.187 5.249 1.00 0.00 C ATOM 898 O THR A 62 -5.725 9.010 5.345 1.00 0.00 O ATOM 899 CB THR A 62 -4.955 11.894 3.708 1.00 0.00 C ATOM 900 OG1 THR A 62 -3.598 11.698 3.320 1.00 0.00 O ATOM 901 CG2 THR A 62 -5.127 13.415 3.708 1.00 0.00 C ATOM 0 H THR A 62 -2.978 11.020 4.786 1.00 0.00 H new ATOM 0 HA THR A 62 -5.346 12.083 5.801 1.00 0.00 H new ATOM 0 HB THR A 62 -5.723 11.442 3.080 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.362 10.753 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.066 13.788 2.686 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.098 13.671 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.339 13.870 4.308 1.00 0.00 H new ATOM 909 N ASP A 63 -7.333 10.598 5.251 1.00 0.00 N ATOM 910 CA ASP A 63 -8.429 9.653 5.372 1.00 0.00 C ATOM 911 C ASP A 63 -8.544 8.842 4.079 1.00 0.00 C ATOM 912 O ASP A 63 -9.031 9.347 3.067 1.00 0.00 O ATOM 913 CB ASP A 63 -9.759 10.377 5.595 1.00 0.00 C ATOM 914 CG ASP A 63 -10.168 10.540 7.060 1.00 0.00 C ATOM 915 OD1 ASP A 63 -10.572 9.572 7.722 1.00 0.00 O ATOM 916 OD2 ASP A 63 -10.055 11.736 7.528 1.00 0.00 O ATOM 0 H ASP A 63 -7.619 11.574 5.171 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.223 9.006 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.699 11.365 5.138 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.545 9.831 5.073 1.00 0.00 H new ATOM 922 N LYS A 64 -8.087 7.601 4.153 1.00 0.00 N ATOM 923 CA LYS A 64 -8.132 6.717 3.001 1.00 0.00 C ATOM 924 C LYS A 64 -7.228 7.276 1.899 1.00 0.00 C ATOM 925 O LYS A 64 -7.656 7.422 0.756 1.00 0.00 O ATOM 926 CB LYS A 64 -9.577 6.491 2.555 1.00 0.00 C ATOM 927 CG LYS A 64 -10.404 5.858 3.676 1.00 0.00 C ATOM 928 CD LYS A 64 -11.888 5.822 3.309 1.00 0.00 C ATOM 929 CE LYS A 64 -12.599 4.664 4.011 1.00 0.00 C ATOM 930 NZ LYS A 64 -14.038 4.964 4.180 1.00 0.00 N ATOM 0 H LYS A 64 -7.684 7.187 4.993 1.00 0.00 H new ATOM 0 HA LYS A 64 -7.746 5.732 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.023 7.441 2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.594 5.845 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.049 4.846 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.267 6.424 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.358 6.765 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.997 5.719 2.229 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.478 3.750 3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.142 4.486 4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.505 4.167 4.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.148 5.825 4.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.474 5.111 3.247 1.00 0.00 H new ATOM 944 N CYS A 65 -5.995 7.573 2.283 1.00 0.00 N ATOM 945 CA CYS A 65 -5.029 8.113 1.342 1.00 0.00 C ATOM 946 C CYS A 65 -4.117 6.973 0.884 1.00 0.00 C ATOM 947 O CYS A 65 -2.966 7.204 0.516 1.00 0.00 O ATOM 948 CB CYS A 65 -4.233 9.270 1.950 1.00 0.00 C ATOM 949 SG CYS A 65 -3.859 8.918 3.707 1.00 0.00 S ATOM 0 H CYS A 65 -5.643 7.450 3.232 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.550 8.530 0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.307 9.416 1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.802 10.196 1.869 1.00 0.00 H new ATOM 0 HG CYS A 65 -4.036 7.652 3.943 1.00 0.00 H new ATOM 955 N ASN A 66 -4.666 5.768 0.921 1.00 0.00 N ATOM 956 CA ASN A 66 -3.916 4.591 0.513 1.00 0.00 C ATOM 957 C ASN A 66 -4.472 4.072 -0.814 1.00 0.00 C ATOM 958 O ASN A 66 -4.119 2.979 -1.255 1.00 0.00 O ATOM 959 CB ASN A 66 -4.042 3.472 1.550 1.00 0.00 C ATOM 960 CG ASN A 66 -2.677 3.129 2.153 1.00 0.00 C ATOM 961 OD1 ASN A 66 -2.431 2.023 2.606 1.00 0.00 O ATOM 962 ND2 ASN A 66 -1.808 4.135 2.132 1.00 0.00 N ATOM 0 H ASN A 66 -5.621 5.581 1.227 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.868 4.875 0.414 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.726 3.779 2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.471 2.585 1.084 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.870 4.006 2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.080 5.036 1.738 1.00 0.00 H new ATOM 969 N PRO A 67 -5.360 4.900 -1.429 1.00 0.00 N ATOM 970 CA PRO A 67 -5.969 4.535 -2.696 1.00 0.00 C ATOM 971 C PRO A 67 -4.972 4.688 -3.848 1.00 0.00 C ATOM 972 O PRO A 67 -5.123 5.573 -4.688 1.00 0.00 O ATOM 973 CB PRO A 67 -7.176 5.447 -2.830 1.00 0.00 C ATOM 974 CG PRO A 67 -6.937 6.599 -1.867 1.00 0.00 C ATOM 975 CD PRO A 67 -5.804 6.201 -0.936 1.00 0.00 C ATOM 0 HA PRO A 67 -6.272 3.489 -2.731 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.281 5.808 -3.853 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.096 4.916 -2.584 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.681 7.507 -2.414 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.841 6.814 -1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -4.995 6.931 -0.961 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.144 6.138 0.098 1.00 0.00 H new ATOM 983 N HIS A 68 -3.978 3.811 -3.848 1.00 0.00 N ATOM 984 CA HIS A 68 -2.959 3.839 -4.883 1.00 0.00 C ATOM 985 C HIS A 68 -3.601 4.179 -6.229 1.00 0.00 C ATOM 986 O HIS A 68 -4.801 3.984 -6.414 1.00 0.00 O ATOM 987 CB HIS A 68 -2.180 2.522 -4.913 1.00 0.00 C ATOM 988 CG HIS A 68 -3.054 1.294 -5.010 1.00 0.00 C ATOM 989 ND1 HIS A 68 -2.922 0.360 -6.023 1.00 0.00 N ATOM 990 CD2 HIS A 68 -4.070 0.857 -4.211 1.00 0.00 C ATOM 991 CE1 HIS A 68 -3.825 -0.591 -5.833 1.00 0.00 C ATOM 992 NE2 HIS A 68 -4.534 -0.281 -4.711 1.00 0.00 N ATOM 0 H HIS A 68 -3.857 3.078 -3.149 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.232 4.620 -4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -1.495 2.536 -5.761 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.571 2.452 -4.012 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -2.245 0.397 -6.785 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.434 1.353 -3.323 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.973 -1.459 -6.458 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.751 4.693 -7.158 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.223 5.061 -8.482 1.00 0.00 C ATOM 1003 C PRO A 69 -3.468 3.820 -9.343 1.00 0.00 C ATOM 1004 O PRO A 69 -2.521 3.192 -9.816 1.00 0.00 O ATOM 1005 CB PRO A 69 -2.144 5.972 -9.046 1.00 0.00 C ATOM 1006 CG PRO A 69 -0.900 5.708 -8.213 1.00 0.00 C ATOM 1007 CD PRO A 69 -1.324 4.936 -6.974 1.00 0.00 C ATOM 0 HA PRO A 69 -4.185 5.573 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.962 5.757 -10.099 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.443 7.018 -8.981 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -0.170 5.137 -8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -0.422 6.647 -7.933 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.772 4.001 -6.882 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.134 5.509 -6.066 1.00 0.00 H new ATOM 1015 N LYS A 70 -4.741 3.502 -9.519 1.00 0.00 N ATOM 1016 CA LYS A 70 -5.122 2.348 -10.312 1.00 0.00 C ATOM 1017 C LYS A 70 -6.582 2.491 -10.749 1.00 0.00 C ATOM 1018 O LYS A 70 -6.926 2.178 -11.887 1.00 0.00 O ATOM 1019 CB LYS A 70 -4.835 1.053 -9.548 1.00 0.00 C ATOM 1020 CG LYS A 70 -3.976 1.326 -8.312 1.00 0.00 C ATOM 1021 CD LYS A 70 -4.717 2.223 -7.318 1.00 0.00 C ATOM 1022 CE LYS A 70 -6.207 1.875 -7.269 1.00 0.00 C ATOM 1023 NZ LYS A 70 -6.967 2.945 -6.588 1.00 0.00 N ATOM 0 H LYS A 70 -5.523 4.025 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.520 2.297 -11.220 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.774 0.588 -9.248 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.324 0.346 -10.202 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.714 0.384 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.042 1.802 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.281 2.110 -6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.593 3.268 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.588 1.738 -8.281 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.349 0.930 -6.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.816 2.539 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.370 3.384 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.250 3.665 -7.282 1.00 0.00 H new ATOM 1037 N GLN A 71 -7.399 2.967 -9.822 1.00 0.00 N ATOM 1038 CA GLN A 71 -8.813 3.158 -10.095 1.00 0.00 C ATOM 1039 C GLN A 71 -9.001 4.040 -11.331 1.00 0.00 C ATOM 1040 O GLN A 71 -9.261 5.236 -11.210 1.00 0.00 O ATOM 1041 CB GLN A 71 -9.532 3.752 -8.884 1.00 0.00 C ATOM 1042 CG GLN A 71 -9.890 2.663 -7.870 1.00 0.00 C ATOM 1043 CD GLN A 71 -10.326 3.276 -6.537 1.00 0.00 C ATOM 1044 OE1 GLN A 71 -9.516 2.994 -5.521 1.00 0.00 O flip ATOM 1045 NE2 GLN A 71 -11.332 3.961 -6.439 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.108 3.227 -8.879 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.257 2.183 -10.297 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.897 4.500 -8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.438 4.263 -9.209 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.692 2.041 -8.267 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.030 2.012 -7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.910 4.139 -7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.594 4.356 -5.536 1.00 0.00 H new ATOM 1054 N ARG A 72 -8.859 3.416 -12.491 1.00 0.00 N ATOM 1055 CA ARG A 72 -9.009 4.130 -13.749 1.00 0.00 C ATOM 1056 C ARG A 72 -9.210 3.142 -14.899 1.00 0.00 C ATOM 1057 O ARG A 72 -8.481 2.158 -15.012 1.00 0.00 O ATOM 1058 CB ARG A 72 -7.783 4.997 -14.039 1.00 0.00 C ATOM 1059 CG ARG A 72 -7.884 5.644 -15.421 1.00 0.00 C ATOM 1060 CD ARG A 72 -6.542 5.583 -16.154 1.00 0.00 C ATOM 1061 NE ARG A 72 -6.476 6.647 -17.181 1.00 0.00 N ATOM 1062 CZ ARG A 72 -5.422 6.845 -18.000 1.00 0.00 C ATOM 1063 NH1 ARG A 72 -4.333 6.050 -17.919 1.00 0.00 N ATOM 1064 NH2 ARG A 72 -5.472 7.827 -18.882 1.00 0.00 N ATOM 0 H ARG A 72 -8.642 2.424 -12.587 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.884 4.775 -13.662 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.692 5.771 -13.277 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.881 4.388 -13.984 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.648 5.135 -16.010 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.200 6.682 -15.318 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.724 5.702 -15.443 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.418 4.606 -16.622 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.278 7.270 -17.276 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.303 5.294 -17.235 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.540 6.206 -18.542 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.299 8.422 -18.936 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.684 7.990 -19.509 1.00 0.00 H new ATOM 1078 N PRO A 73 -10.229 3.447 -15.747 1.00 0.00 N ATOM 1079 CA PRO A 73 -10.535 2.597 -16.886 1.00 0.00 C ATOM 1080 C PRO A 73 -9.504 2.784 -18.001 1.00 0.00 C ATOM 1081 O PRO A 73 -9.412 3.858 -18.594 1.00 0.00 O ATOM 1082 CB PRO A 73 -11.941 2.993 -17.304 1.00 0.00 C ATOM 1083 CG PRO A 73 -12.191 4.360 -16.687 1.00 0.00 C ATOM 1084 CD PRO A 73 -11.113 4.605 -15.646 1.00 0.00 C ATOM 0 HA PRO A 73 -10.490 1.535 -16.644 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.029 3.033 -18.390 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.672 2.266 -16.951 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.165 5.135 -17.453 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.179 4.397 -16.229 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -10.575 5.532 -15.844 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -11.540 4.691 -14.647 1.00 0.00 H new ATOM 1092 N GLY A 74 -8.756 1.721 -18.254 1.00 0.00 N ATOM 1093 CA GLY A 74 -7.734 1.753 -19.288 1.00 0.00 C ATOM 1094 C GLY A 74 -6.948 0.441 -19.322 1.00 0.00 C ATOM 1095 O GLY A 74 -6.034 0.282 -20.131 1.00 0.00 O ATOM 0 H GLY A 74 -8.836 0.832 -17.761 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.199 1.928 -20.258 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.053 2.584 -19.106 1.00 0.00 H new ATOM 1100 N HIS B 1 -7.194 -10.427 -10.753 1.00 0.00 N ATOM 1101 CA HIS B 1 -7.546 -10.056 -9.393 1.00 0.00 C ATOM 1102 C HIS B 1 -6.294 -9.587 -8.650 1.00 0.00 C ATOM 1103 O HIS B 1 -5.572 -10.397 -8.069 1.00 0.00 O ATOM 1104 CB HIS B 1 -8.262 -11.206 -8.683 1.00 0.00 C ATOM 1105 CG HIS B 1 -9.506 -11.687 -9.392 1.00 0.00 C ATOM 1106 ND1 HIS B 1 -9.655 -11.627 -10.767 1.00 0.00 N ATOM 1107 CD2 HIS B 1 -10.654 -12.238 -8.903 1.00 0.00 C ATOM 1108 CE1 HIS B 1 -10.844 -12.120 -11.080 1.00 0.00 C ATOM 1109 NE2 HIS B 1 -11.462 -12.498 -9.923 1.00 0.00 N ATOM 0 H1 HIS B 1 -7.990 -10.932 -11.192 1.00 0.00 H new ATOM 0 H2 HIS B 1 -6.982 -9.570 -11.303 1.00 0.00 H new ATOM 0 H3 HIS B 1 -6.358 -11.045 -10.739 1.00 0.00 H new ATOM 0 HA HIS B 1 -8.250 -9.224 -9.410 1.00 0.00 H new ATOM 0 HB2 HIS B 1 -7.570 -12.042 -8.578 1.00 0.00 H new ATOM 0 HB3 HIS B 1 -8.531 -10.887 -7.676 1.00 0.00 H new ATOM 0 HD2 HIS B 1 -10.869 -12.430 -7.862 1.00 0.00 H new ATOM 0 HE1 HIS B 1 -11.253 -12.208 -12.076 1.00 0.00 H new ATOM 0 HE2 HIS B 1 -12.392 -12.912 -9.854 1.00 0.00 H new ATOM 1118 N ARG B 2 -6.074 -8.282 -8.690 1.00 0.00 N ATOM 1119 CA ARG B 2 -4.921 -7.696 -8.028 1.00 0.00 C ATOM 1120 C ARG B 2 -5.095 -6.180 -7.901 1.00 0.00 C ATOM 1121 O ARG B 2 -5.988 -5.602 -8.517 1.00 0.00 O ATOM 1122 CB ARG B 2 -3.632 -7.991 -8.799 1.00 0.00 C ATOM 1123 CG ARG B 2 -2.835 -9.108 -8.126 1.00 0.00 C ATOM 1124 CD ARG B 2 -1.552 -8.565 -7.496 1.00 0.00 C ATOM 1125 NE ARG B 2 -1.100 -9.461 -6.410 1.00 0.00 N ATOM 1126 CZ ARG B 2 -1.825 -9.739 -5.306 1.00 0.00 C ATOM 1127 NH1 ARG B 2 -3.046 -9.189 -5.132 1.00 0.00 N ATOM 1128 NH2 ARG B 2 -1.323 -10.556 -4.398 1.00 0.00 N ATOM 0 H ARG B 2 -6.675 -7.613 -9.171 1.00 0.00 H new ATOM 0 HA ARG B 2 -4.847 -8.142 -7.036 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -3.874 -8.278 -9.822 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -3.023 -7.089 -8.856 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -3.447 -9.585 -7.360 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -2.587 -9.875 -8.860 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -0.774 -8.479 -8.254 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -1.726 -7.563 -7.103 1.00 0.00 H new ATOM 0 HE ARG B 2 -0.182 -9.897 -6.501 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -3.427 -8.558 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -3.588 -9.404 -4.295 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -0.400 -10.967 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -1.858 -10.776 -3.558 1.00 0.00 H new ATOM 1142 N TYR B 3 -4.228 -5.582 -7.098 1.00 0.00 N ATOM 1143 CA TYR B 3 -4.274 -4.146 -6.883 1.00 0.00 C ATOM 1144 C TYR B 3 -2.998 -3.473 -7.392 1.00 0.00 C ATOM 1145 O TYR B 3 -2.390 -2.671 -6.685 1.00 0.00 O ATOM 1146 CB TYR B 3 -4.370 -3.950 -5.368 1.00 0.00 C ATOM 1147 CG TYR B 3 -4.595 -5.245 -4.586 1.00 0.00 C ATOM 1148 CD1 TYR B 3 -3.522 -6.047 -4.255 1.00 0.00 C ATOM 1149 CD2 TYR B 3 -5.873 -5.614 -4.213 1.00 0.00 C ATOM 1150 CE1 TYR B 3 -3.734 -7.266 -3.519 1.00 0.00 C ATOM 1151 CE2 TYR B 3 -6.084 -6.833 -3.477 1.00 0.00 C ATOM 1152 CZ TYR B 3 -5.004 -7.599 -3.165 1.00 0.00 C ATOM 1153 OH TYR B 3 -5.205 -8.750 -2.470 1.00 0.00 O ATOM 0 H TYR B 3 -3.489 -6.066 -6.588 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.116 -3.705 -7.417 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.453 -3.479 -5.014 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -5.186 -3.261 -5.152 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.523 -5.760 -4.548 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -6.714 -4.988 -4.474 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.902 -7.902 -3.254 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -7.078 -7.133 -3.179 1.00 0.00 H new ATOM 0 HH TYR B 3 -5.709 -8.555 -1.652 1.00 0.00 H new ATOM 1163 N TYR B 4 -2.628 -3.826 -8.615 1.00 0.00 N ATOM 1164 CA TYR B 4 -1.436 -3.266 -9.227 1.00 0.00 C ATOM 1165 C TYR B 4 -1.502 -1.737 -9.260 1.00 0.00 C ATOM 1166 O TYR B 4 -2.330 -1.134 -8.583 1.00 0.00 O ATOM 1167 CB TYR B 4 -1.409 -3.797 -10.661 1.00 0.00 C ATOM 1168 CG TYR B 4 -0.453 -4.972 -10.872 1.00 0.00 C ATOM 1169 CD1 TYR B 4 -0.882 -6.262 -10.626 1.00 0.00 C ATOM 1170 CD2 TYR B 4 0.836 -4.745 -11.308 1.00 0.00 C ATOM 1171 CE1 TYR B 4 0.018 -7.369 -10.825 1.00 0.00 C ATOM 1172 CE2 TYR B 4 1.735 -5.852 -11.506 1.00 0.00 C ATOM 1173 CZ TYR B 4 1.282 -7.110 -11.254 1.00 0.00 C ATOM 1174 OH TYR B 4 2.131 -8.155 -11.442 1.00 0.00 O ATOM 0 H TYR B 4 -3.133 -4.493 -9.198 1.00 0.00 H new ATOM 0 HA TYR B 4 -0.547 -3.546 -8.662 1.00 0.00 H new ATOM 0 HB2 TYR B 4 -2.416 -4.106 -10.942 1.00 0.00 H new ATOM 0 HB3 TYR B 4 -1.126 -2.986 -11.332 1.00 0.00 H new ATOM 0 HD1 TYR B 4 -1.891 -6.440 -10.285 1.00 0.00 H new ATOM 0 HD2 TYR B 4 1.171 -3.737 -11.501 1.00 0.00 H new ATOM 0 HE1 TYR B 4 -0.304 -8.383 -10.638 1.00 0.00 H new ATOM 0 HE2 TYR B 4 2.746 -5.688 -11.847 1.00 0.00 H new ATOM 0 HH TYR B 4 2.873 -8.093 -10.804 1.00 0.00 H new ATOM 1184 N GLU B 5 -0.619 -1.158 -10.059 1.00 0.00 N ATOM 1185 CA GLU B 5 -0.567 0.290 -10.193 1.00 0.00 C ATOM 1186 C GLU B 5 -1.125 0.719 -11.550 1.00 0.00 C ATOM 1187 O GLU B 5 -0.652 1.688 -12.142 1.00 0.00 O ATOM 1188 CB GLU B 5 0.860 0.806 -9.998 1.00 0.00 C ATOM 1189 CG GLU B 5 1.724 0.504 -11.224 1.00 0.00 C ATOM 1190 CD GLU B 5 3.015 1.325 -11.201 1.00 0.00 C ATOM 1191 OE1 GLU B 5 4.011 0.899 -10.595 1.00 0.00 O ATOM 1192 OE2 GLU B 5 2.962 2.444 -11.841 1.00 0.00 O ATOM 0 H GLU B 5 0.066 -1.663 -10.620 1.00 0.00 H new ATOM 0 HA GLU B 5 -1.188 0.730 -9.413 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.841 1.881 -9.818 1.00 0.00 H new ATOM 0 HB3 GLU B 5 1.301 0.343 -9.115 1.00 0.00 H new ATOM 0 HG2 GLU B 5 1.965 -0.559 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU B 5 1.164 0.726 -12.132 1.00 0.00 H new ATOM 1200 N SER B 6 -2.124 -0.025 -12.006 1.00 0.00 N ATOM 1201 CA SER B 6 -2.752 0.267 -13.283 1.00 0.00 C ATOM 1202 C SER B 6 -4.247 -0.051 -13.216 1.00 0.00 C ATOM 1203 O SER B 6 -4.968 0.130 -14.196 1.00 0.00 O ATOM 1204 CB SER B 6 -2.090 -0.522 -14.414 1.00 0.00 C ATOM 1205 OG SER B 6 -2.671 -0.227 -15.682 1.00 0.00 O ATOM 0 H SER B 6 -2.513 -0.829 -11.513 1.00 0.00 H new ATOM 0 HA SER B 6 -2.623 1.329 -13.494 1.00 0.00 H new ATOM 0 HB2 SER B 6 -1.025 -0.292 -14.441 1.00 0.00 H new ATOM 0 HB3 SER B 6 -2.181 -1.589 -14.213 1.00 0.00 H new ATOM 0 HG SER B 6 -3.637 -0.097 -15.577 1.00 0.00 H new ATOM 1211 N SER B 7 -4.667 -0.522 -12.051 1.00 0.00 N ATOM 1212 CA SER B 7 -6.062 -0.869 -11.843 1.00 0.00 C ATOM 1213 C SER B 7 -6.293 -1.266 -10.383 1.00 0.00 C ATOM 1214 O SER B 7 -5.339 -1.498 -9.643 1.00 0.00 O ATOM 1215 CB SER B 7 -6.493 -2.003 -12.775 1.00 0.00 C ATOM 1216 OG SER B 7 -7.757 -2.548 -12.406 1.00 0.00 O ATOM 0 H SER B 7 -4.065 -0.671 -11.241 1.00 0.00 H new ATOM 0 HA SER B 7 -6.669 0.007 -12.075 1.00 0.00 H new ATOM 0 HB2 SER B 7 -6.544 -1.631 -13.798 1.00 0.00 H new ATOM 0 HB3 SER B 7 -5.740 -2.791 -12.759 1.00 0.00 H new ATOM 0 HG SER B 7 -8.436 -1.842 -12.427 1.00 0.00 H new ATOM 1222 N LEU B 8 -7.563 -1.329 -10.015 1.00 0.00 N ATOM 1223 CA LEU B 8 -7.931 -1.691 -8.657 1.00 0.00 C ATOM 1224 C LEU B 8 -8.938 -2.843 -8.695 1.00 0.00 C ATOM 1225 O LEU B 8 -9.059 -3.599 -7.734 1.00 0.00 O ATOM 1226 CB LEU B 8 -8.429 -0.465 -7.890 1.00 0.00 C ATOM 1227 CG LEU B 8 -8.377 -0.561 -6.364 1.00 0.00 C ATOM 1228 CD1 LEU B 8 -9.553 -1.378 -5.826 1.00 0.00 C ATOM 1229 CD2 LEU B 8 -7.031 -1.119 -5.894 1.00 0.00 C ATOM 0 H LEU B 8 -8.351 -1.136 -10.633 1.00 0.00 H new ATOM 0 HA LEU B 8 -7.058 -2.047 -8.110 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -7.839 0.397 -8.200 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -9.459 -0.269 -8.187 1.00 0.00 H new ATOM 0 HG LEU B 8 -8.469 0.446 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -9.492 -1.431 -4.739 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -10.490 -0.901 -6.114 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -9.516 -2.385 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -7.021 -1.177 -4.806 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -6.884 -2.115 -6.311 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -6.228 -0.463 -6.230 1.00 0.00 H new ATOM 1241 N GLU B 9 -9.635 -2.938 -9.817 1.00 0.00 N ATOM 1242 CA GLU B 9 -10.629 -3.984 -9.995 1.00 0.00 C ATOM 1243 C GLU B 9 -9.955 -5.290 -10.420 1.00 0.00 C ATOM 1244 O GLU B 9 -8.970 -5.273 -11.157 1.00 0.00 O ATOM 1245 CB GLU B 9 -11.695 -3.561 -11.008 1.00 0.00 C ATOM 1246 CG GLU B 9 -12.175 -2.134 -10.737 1.00 0.00 C ATOM 1247 CD GLU B 9 -12.988 -2.066 -9.442 1.00 0.00 C ATOM 1248 OE1 GLU B 9 -12.425 -1.809 -8.369 1.00 0.00 O ATOM 1249 OE2 GLU B 9 -14.251 -2.290 -9.580 1.00 0.00 O ATOM 0 H GLU B 9 -9.532 -2.308 -10.613 1.00 0.00 H new ATOM 0 HA GLU B 9 -11.128 -4.150 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU B 9 -11.288 -3.626 -12.017 1.00 0.00 H new ATOM 0 HB3 GLU B 9 -12.540 -4.248 -10.960 1.00 0.00 H new ATOM 0 HG2 GLU B 9 -11.317 -1.465 -10.668 1.00 0.00 H new ATOM 0 HG3 GLU B 9 -12.784 -1.787 -11.572 1.00 0.00 H new ATOM 1257 N PRO B 10 -10.527 -6.420 -9.926 1.00 0.00 N ATOM 1258 CA PRO B 10 -9.993 -7.732 -10.246 1.00 0.00 C ATOM 1259 C PRO B 10 -10.352 -8.136 -11.677 1.00 0.00 C ATOM 1260 O PRO B 10 -10.412 -9.322 -11.996 1.00 0.00 O ATOM 1261 CB PRO B 10 -10.584 -8.664 -9.201 1.00 0.00 C ATOM 1262 CG PRO B 10 -11.785 -7.933 -8.622 1.00 0.00 C ATOM 1263 CD PRO B 10 -11.695 -6.477 -9.052 1.00 0.00 C ATOM 0 HA PRO B 10 -8.904 -7.761 -10.216 1.00 0.00 H new ATOM 0 HB2 PRO B 10 -10.882 -9.613 -9.648 1.00 0.00 H new ATOM 0 HB3 PRO B 10 -9.854 -8.893 -8.424 1.00 0.00 H new ATOM 0 HG2 PRO B 10 -12.713 -8.380 -8.979 1.00 0.00 H new ATOM 0 HG3 PRO B 10 -11.792 -8.010 -7.535 1.00 0.00 H new ATOM 0 HD2 PRO B 10 -12.597 -6.162 -9.576 1.00 0.00 H new ATOM 0 HD3 PRO B 10 -11.579 -5.817 -8.193 1.00 0.00 H new ATOM 1271 N TRP B 11 -10.580 -7.125 -12.504 1.00 0.00 N ATOM 1272 CA TRP B 11 -10.933 -7.359 -13.894 1.00 0.00 C ATOM 1273 C TRP B 11 -9.941 -6.588 -14.768 1.00 0.00 C ATOM 1274 O TRP B 11 -9.537 -7.070 -15.826 1.00 0.00 O ATOM 1275 CB TRP B 11 -12.390 -6.977 -14.162 1.00 0.00 C ATOM 1276 CG TRP B 11 -13.069 -7.830 -15.237 1.00 0.00 C ATOM 1277 CD1 TRP B 11 -13.035 -7.663 -16.566 1.00 0.00 C ATOM 1278 CD2 TRP B 11 -13.889 -8.996 -15.016 1.00 0.00 C ATOM 1279 NE1 TRP B 11 -13.771 -8.632 -17.215 1.00 0.00 N ATOM 1280 CE2 TRP B 11 -14.306 -9.470 -16.243 1.00 0.00 C ATOM 1281 CE3 TRP B 11 -14.264 -9.632 -13.820 1.00 0.00 C ATOM 1282 CZ2 TRP B 11 -15.121 -10.597 -16.394 1.00 0.00 C ATOM 1283 CZ3 TRP B 11 -15.079 -10.758 -13.986 1.00 0.00 C ATOM 1284 CH2 TRP B 11 -15.508 -11.246 -15.215 1.00 0.00 C ATOM 0 H TRP B 11 -10.527 -6.142 -12.237 1.00 0.00 H new ATOM 0 HA TRP B 11 -10.862 -8.419 -14.138 1.00 0.00 H new ATOM 0 HB2 TRP B 11 -12.954 -7.064 -13.234 1.00 0.00 H new ATOM 0 HB3 TRP B 11 -12.431 -5.930 -14.463 1.00 0.00 H new ATOM 0 HD1 TRP B 11 -12.499 -6.870 -17.066 1.00 0.00 H new ATOM 0 HE1 TRP B 11 -13.899 -8.718 -18.223 1.00 0.00 H new ATOM 0 HE3 TRP B 11 -13.948 -9.280 -12.849 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 -15.434 -10.947 -17.366 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 -15.396 -11.284 -13.098 1.00 0.00 H new ATOM 0 HH2 TRP B 11 -16.137 -12.122 -15.260 1.00 0.00 H new ATOM 1295 N TYR B 12 -9.580 -5.405 -14.295 1.00 0.00 N ATOM 1296 CA TYR B 12 -8.644 -4.564 -15.022 1.00 0.00 C ATOM 1297 C TYR B 12 -7.208 -4.804 -14.547 1.00 0.00 C ATOM 1298 O TYR B 12 -6.271 -4.754 -15.343 1.00 0.00 O ATOM 1299 CB TYR B 12 -9.039 -3.120 -14.703 1.00 0.00 C ATOM 1300 CG TYR B 12 -10.244 -2.614 -15.498 1.00 0.00 C ATOM 1301 CD1 TYR B 12 -11.423 -3.330 -15.494 1.00 0.00 C ATOM 1302 CD2 TYR B 12 -10.151 -1.443 -16.221 1.00 0.00 C ATOM 1303 CE1 TYR B 12 -12.557 -2.855 -16.244 1.00 0.00 C ATOM 1304 CE2 TYR B 12 -11.286 -0.968 -16.970 1.00 0.00 C ATOM 1305 CZ TYR B 12 -12.432 -1.697 -16.945 1.00 0.00 C ATOM 1306 OH TYR B 12 -13.504 -1.247 -17.653 1.00 0.00 O ATOM 0 H TYR B 12 -9.918 -5.009 -13.418 1.00 0.00 H new ATOM 0 HA TYR B 12 -8.681 -4.782 -16.089 1.00 0.00 H new ATOM 0 HB2 TYR B 12 -9.260 -3.041 -13.639 1.00 0.00 H new ATOM 0 HB3 TYR B 12 -8.187 -2.469 -14.900 1.00 0.00 H new ATOM 0 HD1 TYR B 12 -11.496 -4.247 -14.928 1.00 0.00 H new ATOM 0 HD2 TYR B 12 -9.228 -0.883 -16.226 1.00 0.00 H new ATOM 0 HE1 TYR B 12 -13.486 -3.406 -16.249 1.00 0.00 H new ATOM 0 HE2 TYR B 12 -11.227 -0.052 -17.539 1.00 0.00 H new ATOM 0 HH TYR B 12 -13.270 -0.409 -18.103 1.00 0.00 H new ATOM 1316 N PRO B 13 -7.078 -5.063 -13.218 1.00 0.00 N ATOM 1317 CA PRO B 13 -5.773 -5.310 -12.628 1.00 0.00 C ATOM 1318 C PRO B 13 -5.265 -6.709 -12.988 1.00 0.00 C ATOM 1319 O PRO B 13 -4.079 -6.891 -13.256 1.00 0.00 O ATOM 1320 CB PRO B 13 -5.974 -5.117 -11.135 1.00 0.00 C ATOM 1321 CG PRO B 13 -7.471 -5.226 -10.898 1.00 0.00 C ATOM 1322 CD PRO B 13 -8.165 -5.129 -12.246 1.00 0.00 C ATOM 0 HA PRO B 13 -5.006 -4.633 -13.004 1.00 0.00 H new ATOM 0 HB2 PRO B 13 -5.433 -5.874 -10.567 1.00 0.00 H new ATOM 0 HB3 PRO B 13 -5.597 -4.146 -10.813 1.00 0.00 H new ATOM 0 HG2 PRO B 13 -7.713 -6.171 -10.412 1.00 0.00 H new ATOM 0 HG3 PRO B 13 -7.811 -4.430 -10.235 1.00 0.00 H new ATOM 0 HD2 PRO B 13 -8.805 -5.993 -12.425 1.00 0.00 H new ATOM 0 HD3 PRO B 13 -8.800 -4.245 -12.302 1.00 0.00 H new ATOM 1330 N ASP B 14 -6.189 -7.659 -12.981 1.00 0.00 N ATOM 1331 CA ASP B 14 -5.849 -9.034 -13.303 1.00 0.00 C ATOM 1332 C ASP B 14 -7.123 -9.882 -13.302 1.00 0.00 C ATOM 1333 O ASP B 14 -7.306 -10.733 -14.172 1.00 0.00 O ATOM 1334 CB ASP B 14 -4.891 -9.621 -12.266 1.00 0.00 C ATOM 1335 CG ASP B 14 -4.722 -11.141 -12.326 1.00 0.00 C ATOM 1336 OD1 ASP B 14 -5.377 -11.887 -11.585 1.00 0.00 O ATOM 1337 OD2 ASP B 14 -3.864 -11.559 -13.195 1.00 0.00 O ATOM 0 H ASP B 14 -7.172 -7.503 -12.758 1.00 0.00 H new ATOM 0 HA ASP B 14 -5.371 -9.043 -14.282 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -3.913 -9.157 -12.394 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.245 -9.349 -11.272 1.00 0.00 H new