USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 723 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 69 TYR OH : rot 139:sc= 0.746 USER MOD Set 1.2: A 95 ASN : amide:sc= -0.242 K(o=0.5,f=-5.1!) USER MOD Set 2.1: A 37 CYS SG : rot -169:sc= 0.206 USER MOD Set 2.2: A 40 CYS SG : rot -65:sc= 0.241 USER MOD Set 2.3: A 57 HIS : no HD1:sc= -0.243 K(o=0.079,f=-0.59) USER MOD Set 2.4: A 61 THR OG1 : rot 126:sc= 0.571 USER MOD Set 2.5: A 63 HIS : no HD1:sc= -0.696 X(o=0.079,f=0.35) USER MOD Set 3.1: A 21 CYS SG : rot 50:sc= -0.862! USER MOD Set 3.2: A 24 CYS SG : rot 81:sc= 1.24 USER MOD Set 3.3: A 45 CYS SG : rot 71:sc= 0.789 USER MOD Set 3.4: A 51 HIS : no HD1:sc= -0.277 X(o=0.89,f=1.1) USER MOD Set 4.1: A 5 CYS SG : rot -172:sc= -2.11! USER MOD Set 4.2: A 7 HIS : no HE2:sc= 0.00251 X(o=-2.3,f=-2.4) USER MOD Set 4.3: A 78 CYS SG : rot 140:sc= -0.166 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -41:sc= 0.69 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= -0.193 USER MOD Single : A 33 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-7.5!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.0159! C(o=0.016!,f=-6.4!) USER MOD Single : A 46 CYS SG : rot -170:sc= -1.06 USER MOD Single : A 49 SER OG : rot 130:sc= -0.586 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.759 X(o=-0.76,f=-0.49) USER MOD Single : A 55 THR OG1 : rot 141:sc= -1.21 USER MOD Single : A 59 HIS : no HD1:sc= -0.634 K(o=-0.63,f=0.16) USER MOD Single : A 79 TYR OH : rot -110:sc= 0.367 USER MOD Single : A 84 MET CE :methyl -143:sc= -0.13 (180deg=-0.618) USER MOD Single : A 88 SER OG : rot 82:sc= 1.04 USER MOD Single : A 91 MET CE :methyl -153:sc= -0.211 (180deg=-1.24) USER MOD Single : A 92 THR OG1 : rot 160:sc= 0 USER MOD Single : A 94 HIS : no HE2:sc= 0.968 K(o=0.97,f=-4.1!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N CYS A 5 -0.013 -8.444 3.689 1.00 0.00 N ATOM 59 CA CYS A 5 0.075 -9.893 3.645 1.00 0.00 C ATOM 60 C CYS A 5 -0.967 -10.473 4.591 1.00 0.00 C ATOM 61 O CYS A 5 -1.543 -9.733 5.387 1.00 0.00 O ATOM 62 CB CYS A 5 1.484 -10.361 4.029 1.00 0.00 C ATOM 63 SG CYS A 5 1.999 -9.904 5.720 1.00 0.00 S ATOM 0 HA CYS A 5 -0.120 -10.243 2.631 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.533 -11.445 3.928 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.198 -9.942 3.320 1.00 0.00 H new ATOM 0 HG CYS A 5 3.253 -10.205 5.888 1.00 0.00 H new ATOM 68 N ARG A 6 -1.205 -11.778 4.521 1.00 0.00 N ATOM 69 CA ARG A 6 -2.241 -12.415 5.336 1.00 0.00 C ATOM 70 C ARG A 6 -1.970 -12.237 6.833 1.00 0.00 C ATOM 71 O ARG A 6 -2.892 -12.299 7.646 1.00 0.00 O ATOM 72 CB ARG A 6 -2.363 -13.899 4.988 1.00 0.00 C ATOM 73 CG ARG A 6 -1.118 -14.711 5.298 1.00 0.00 C ATOM 74 CD ARG A 6 -1.280 -16.152 4.856 1.00 0.00 C ATOM 75 NE ARG A 6 -2.434 -16.792 5.484 1.00 0.00 N ATOM 76 CZ ARG A 6 -2.881 -18.003 5.161 1.00 0.00 C ATOM 77 NH1 ARG A 6 -2.278 -18.705 4.208 1.00 0.00 N ATOM 78 NH2 ARG A 6 -3.936 -18.507 5.792 1.00 0.00 N ATOM 0 H ARG A 6 -0.697 -12.418 3.910 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.187 -11.923 5.109 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.206 -14.322 5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.592 -13.995 3.927 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.258 -14.268 4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.915 -14.677 6.368 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.391 -16.188 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.377 -16.710 5.103 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.927 -16.279 6.215 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.470 -18.316 3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.623 -19.633 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.401 -17.966 6.521 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.281 -19.435 5.547 1.00 0.00 H new ATOM 92 N HIS A 7 -0.704 -12.002 7.184 1.00 0.00 N ATOM 93 CA HIS A 7 -0.321 -11.704 8.568 1.00 0.00 C ATOM 94 C HIS A 7 -1.057 -10.466 9.086 1.00 0.00 C ATOM 95 O HIS A 7 -1.255 -10.308 10.289 1.00 0.00 O ATOM 96 CB HIS A 7 1.192 -11.471 8.686 1.00 0.00 C ATOM 97 CG HIS A 7 2.033 -12.690 8.464 1.00 0.00 C ATOM 98 ND1 HIS A 7 3.199 -12.636 7.737 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.859 -13.954 8.922 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.702 -13.855 7.771 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.927 -14.691 8.476 1.00 0.00 N ATOM 0 H HIS A 7 0.077 -12.012 6.527 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.599 -12.568 9.171 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.485 -10.708 7.965 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.408 -11.073 9.677 1.00 0.00 H new ATOM 0 HD1 HIS A 7 3.594 -11.821 7.268 1.00 0.00 H new ATOM 0 HD2 HIS A 7 1.037 -14.313 9.523 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.625 -14.144 7.290 1.00 0.00 H new ATOM 109 N VAL A 8 -1.455 -9.591 8.163 1.00 0.00 N ATOM 110 CA VAL A 8 -2.104 -8.329 8.508 1.00 0.00 C ATOM 111 C VAL A 8 -3.415 -8.573 9.265 1.00 0.00 C ATOM 112 O VAL A 8 -3.853 -7.741 10.051 1.00 0.00 O ATOM 113 CB VAL A 8 -2.353 -7.455 7.248 1.00 0.00 C ATOM 114 CG1 VAL A 8 -3.780 -7.575 6.742 1.00 0.00 C ATOM 115 CG2 VAL A 8 -2.009 -6.002 7.523 1.00 0.00 C ATOM 0 H VAL A 8 -1.337 -9.737 7.160 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.427 -7.783 9.165 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.695 -7.830 6.464 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.907 -6.947 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.988 -8.613 6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.471 -7.252 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.191 -5.409 6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.630 -5.629 8.337 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.958 -5.923 7.803 1.00 0.00 H new ATOM 125 N ALA A 9 -4.041 -9.718 9.021 1.00 0.00 N ATOM 126 CA ALA A 9 -5.298 -10.056 9.679 1.00 0.00 C ATOM 127 C ALA A 9 -5.092 -10.363 11.164 1.00 0.00 C ATOM 128 O ALA A 9 -6.056 -10.552 11.907 1.00 0.00 O ATOM 129 CB ALA A 9 -5.957 -11.235 8.981 1.00 0.00 C ATOM 0 H ALA A 9 -3.699 -10.428 8.373 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.954 -9.188 9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.894 -11.477 9.482 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.158 -10.977 7.941 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.292 -12.098 9.019 1.00 0.00 H new ATOM 135 N GLY A 10 -3.837 -10.406 11.594 1.00 0.00 N ATOM 136 CA GLY A 10 -3.534 -10.715 12.977 1.00 0.00 C ATOM 137 C GLY A 10 -3.140 -9.489 13.779 1.00 0.00 C ATOM 138 O GLY A 10 -2.855 -9.588 14.975 1.00 0.00 O ATOM 0 H GLY A 10 -3.021 -10.232 11.007 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.403 -11.182 13.439 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.724 -11.443 13.013 1.00 0.00 H new ATOM 142 N ILE A 11 -3.104 -8.336 13.123 1.00 0.00 N ATOM 143 CA ILE A 11 -2.772 -7.087 13.798 1.00 0.00 C ATOM 144 C ILE A 11 -4.034 -6.286 14.091 1.00 0.00 C ATOM 145 O ILE A 11 -5.037 -6.414 13.388 1.00 0.00 O ATOM 146 CB ILE A 11 -1.793 -6.226 12.975 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.428 -5.810 11.647 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.500 -6.992 12.742 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.553 -4.922 10.790 1.00 0.00 C ATOM 0 H ILE A 11 -3.300 -8.239 12.127 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.282 -7.352 14.735 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.564 -5.319 13.535 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.680 -6.707 11.081 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.363 -5.289 11.852 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.187 -6.378 12.160 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.044 -7.237 13.701 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.715 -7.911 12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.079 -4.674 9.868 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.322 -4.006 11.333 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.627 -5.445 10.550 1.00 0.00 H new ATOM 161 N ARG A 12 -3.986 -5.465 15.128 1.00 0.00 N ATOM 162 CA ARG A 12 -5.149 -4.689 15.530 1.00 0.00 C ATOM 163 C ARG A 12 -4.778 -3.227 15.780 1.00 0.00 C ATOM 164 O ARG A 12 -3.641 -2.815 15.536 1.00 0.00 O ATOM 165 CB ARG A 12 -5.801 -5.330 16.765 1.00 0.00 C ATOM 166 CG ARG A 12 -4.879 -5.500 17.967 1.00 0.00 C ATOM 167 CD ARG A 12 -5.019 -4.357 18.961 1.00 0.00 C ATOM 168 NE ARG A 12 -6.400 -4.192 19.416 1.00 0.00 N ATOM 169 CZ ARG A 12 -6.750 -3.548 20.529 1.00 0.00 C ATOM 170 NH1 ARG A 12 -5.821 -3.062 21.344 1.00 0.00 N ATOM 171 NH2 ARG A 12 -8.032 -3.396 20.833 1.00 0.00 N ATOM 0 H ARG A 12 -3.158 -5.319 15.705 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.876 -4.696 14.717 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.654 -4.721 17.064 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.191 -6.308 16.484 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.104 -6.443 18.465 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.846 -5.558 17.625 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.374 -4.543 19.820 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.676 -3.431 18.499 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.142 -4.596 18.845 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.833 -3.181 21.120 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.095 -2.570 22.194 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.751 -3.772 20.215 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.299 -2.903 21.685 1.00 0.00 H new ATOM 185 N THR A 13 -5.745 -2.442 16.238 1.00 0.00 N ATOM 186 CA THR A 13 -5.521 -1.033 16.529 1.00 0.00 C ATOM 187 C THR A 13 -4.885 -0.877 17.907 1.00 0.00 C ATOM 188 O THR A 13 -5.561 -0.973 18.931 1.00 0.00 O ATOM 189 CB THR A 13 -6.843 -0.243 16.471 1.00 0.00 C ATOM 190 OG1 THR A 13 -7.561 -0.593 15.278 1.00 0.00 O ATOM 191 CG2 THR A 13 -6.582 1.256 16.485 1.00 0.00 C ATOM 0 H THR A 13 -6.697 -2.761 16.417 1.00 0.00 H new ATOM 0 HA THR A 13 -4.846 -0.632 15.773 1.00 0.00 H new ATOM 0 HB THR A 13 -7.436 -0.499 17.349 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.402 -0.091 15.243 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.531 1.791 16.443 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.054 1.525 17.400 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.974 1.528 15.622 1.00 0.00 H new ATOM 199 N VAL A 14 -3.581 -0.652 17.926 1.00 0.00 N ATOM 200 CA VAL A 14 -2.822 -0.667 19.169 1.00 0.00 C ATOM 201 C VAL A 14 -2.635 0.724 19.759 1.00 0.00 C ATOM 202 O VAL A 14 -2.848 1.736 19.093 1.00 0.00 O ATOM 203 CB VAL A 14 -1.441 -1.320 18.965 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.598 -2.790 18.634 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.662 -0.615 17.866 1.00 0.00 C ATOM 0 H VAL A 14 -3.024 -0.456 17.094 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.408 -1.256 19.874 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.881 -1.225 19.895 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.615 -3.238 18.493 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.112 -3.294 19.452 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.180 -2.897 17.719 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.309 -1.095 17.742 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.218 -0.674 16.930 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.517 0.431 18.136 1.00 0.00 H new ATOM 215 N THR A 15 -2.232 0.750 21.019 1.00 0.00 N ATOM 216 CA THR A 15 -1.982 1.986 21.731 1.00 0.00 C ATOM 217 C THR A 15 -0.535 2.019 22.223 1.00 0.00 C ATOM 218 O THR A 15 -0.065 1.066 22.849 1.00 0.00 O ATOM 219 CB THR A 15 -2.947 2.124 22.928 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.302 1.993 22.473 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.772 3.465 23.629 1.00 0.00 C ATOM 0 H THR A 15 -2.070 -0.089 21.575 1.00 0.00 H new ATOM 0 HA THR A 15 -2.149 2.821 21.050 1.00 0.00 H new ATOM 0 HB THR A 15 -2.717 1.334 23.642 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.913 2.079 23.235 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.466 3.531 24.467 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.750 3.553 23.997 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.975 4.273 22.926 1.00 0.00 H new ATOM 229 N PRO A 16 0.199 3.099 21.919 1.00 0.00 N ATOM 230 CA PRO A 16 1.597 3.241 22.325 1.00 0.00 C ATOM 231 C PRO A 16 1.746 3.513 23.820 1.00 0.00 C ATOM 232 O PRO A 16 0.943 4.232 24.417 1.00 0.00 O ATOM 233 CB PRO A 16 2.082 4.437 21.511 1.00 0.00 C ATOM 234 CG PRO A 16 0.860 5.244 21.247 1.00 0.00 C ATOM 235 CD PRO A 16 -0.278 4.266 21.152 1.00 0.00 C ATOM 0 HA PRO A 16 2.167 2.329 22.148 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.825 5.014 22.062 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.552 4.117 20.581 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.689 5.964 22.048 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.962 5.813 20.323 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.195 4.676 21.576 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.495 4.003 20.117 1.00 0.00 H new ATOM 243 N SER A 17 2.774 2.933 24.422 1.00 0.00 N ATOM 244 CA SER A 17 3.021 3.106 25.846 1.00 0.00 C ATOM 245 C SER A 17 4.287 3.929 26.083 1.00 0.00 C ATOM 246 O SER A 17 4.745 4.067 27.217 1.00 0.00 O ATOM 247 CB SER A 17 3.140 1.737 26.525 1.00 0.00 C ATOM 248 OG SER A 17 3.271 1.859 27.933 1.00 0.00 O ATOM 0 H SER A 17 3.452 2.338 23.946 1.00 0.00 H new ATOM 0 HA SER A 17 2.180 3.647 26.280 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.260 1.138 26.292 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.003 1.206 26.124 1.00 0.00 H new ATOM 0 HG SER A 17 3.867 2.609 28.142 1.00 0.00 H new ATOM 254 N ALA A 18 4.845 4.483 25.014 1.00 0.00 N ATOM 255 CA ALA A 18 6.066 5.271 25.115 1.00 0.00 C ATOM 256 C ALA A 18 6.086 6.355 24.049 1.00 0.00 C ATOM 257 O ALA A 18 5.576 6.153 22.947 1.00 0.00 O ATOM 258 CB ALA A 18 7.292 4.375 24.986 1.00 0.00 C ATOM 0 H ALA A 18 4.472 4.401 24.068 1.00 0.00 H new ATOM 0 HA ALA A 18 6.090 5.748 26.095 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.195 4.981 25.064 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.284 3.631 25.783 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.275 3.872 24.019 1.00 0.00 H new ATOM 264 N LEU A 19 6.663 7.503 24.384 1.00 0.00 N ATOM 265 CA LEU A 19 6.743 8.621 23.450 1.00 0.00 C ATOM 266 C LEU A 19 7.701 8.296 22.313 1.00 0.00 C ATOM 267 O LEU A 19 7.375 8.465 21.142 1.00 0.00 O ATOM 268 CB LEU A 19 7.206 9.893 24.165 1.00 0.00 C ATOM 269 CG LEU A 19 6.310 10.365 25.311 1.00 0.00 C ATOM 270 CD1 LEU A 19 6.864 11.642 25.921 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.885 10.582 24.824 1.00 0.00 C ATOM 0 H LEU A 19 7.083 7.685 25.296 1.00 0.00 H new ATOM 0 HA LEU A 19 5.747 8.790 23.041 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.209 9.725 24.557 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.281 10.695 23.431 1.00 0.00 H new ATOM 0 HG LEU A 19 6.294 9.591 26.078 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.217 11.967 26.735 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.866 11.456 26.306 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.907 12.420 25.159 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.264 10.918 25.654 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.880 11.338 24.039 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.489 9.646 24.430 1.00 0.00 H new ATOM 283 N GLY A 20 8.883 7.825 22.677 1.00 0.00 N ATOM 284 CA GLY A 20 9.876 7.454 21.695 1.00 0.00 C ATOM 285 C GLY A 20 10.451 6.087 21.984 1.00 0.00 C ATOM 286 O GLY A 20 9.733 5.187 22.421 1.00 0.00 O ATOM 0 H GLY A 20 9.173 7.692 23.646 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.428 7.459 20.702 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.677 8.193 21.687 1.00 0.00 H new ATOM 290 N CYS A 21 11.745 5.923 21.758 1.00 0.00 N ATOM 291 CA CYS A 21 12.390 4.652 22.027 1.00 0.00 C ATOM 292 C CYS A 21 12.568 4.456 23.523 1.00 0.00 C ATOM 293 O CYS A 21 13.428 5.082 24.143 1.00 0.00 O ATOM 294 CB CYS A 21 13.741 4.557 21.321 1.00 0.00 C ATOM 295 SG CYS A 21 14.602 2.990 21.600 1.00 0.00 S ATOM 0 H CYS A 21 12.363 6.648 21.392 1.00 0.00 H new ATOM 0 HA CYS A 21 11.748 3.862 21.638 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.591 4.693 20.250 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.376 5.375 21.660 1.00 0.00 H new ATOM 0 HG CYS A 21 13.791 2.001 21.364 1.00 0.00 H new ATOM 301 N GLU A 22 11.731 3.590 24.083 1.00 0.00 N ATOM 302 CA GLU A 22 11.756 3.254 25.505 1.00 0.00 C ATOM 303 C GLU A 22 13.177 2.976 25.998 1.00 0.00 C ATOM 304 O GLU A 22 13.584 3.466 27.052 1.00 0.00 O ATOM 305 CB GLU A 22 10.878 2.027 25.740 1.00 0.00 C ATOM 306 CG GLU A 22 10.903 1.509 27.164 1.00 0.00 C ATOM 307 CD GLU A 22 10.215 0.171 27.287 1.00 0.00 C ATOM 308 OE1 GLU A 22 10.648 -0.784 26.607 1.00 0.00 O ATOM 309 OE2 GLU A 22 9.227 0.066 28.038 1.00 0.00 O ATOM 0 H GLU A 22 11.009 3.096 23.559 1.00 0.00 H new ATOM 0 HA GLU A 22 11.375 4.107 26.066 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.850 2.273 25.473 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.200 1.230 25.070 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.936 1.418 27.500 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.416 2.230 27.821 1.00 0.00 H new ATOM 316 N GLU A 23 13.926 2.202 25.219 1.00 0.00 N ATOM 317 CA GLU A 23 15.287 1.832 25.584 1.00 0.00 C ATOM 318 C GLU A 23 16.166 3.072 25.710 1.00 0.00 C ATOM 319 O GLU A 23 16.836 3.276 26.714 1.00 0.00 O ATOM 320 CB GLU A 23 15.876 0.889 24.533 1.00 0.00 C ATOM 321 CG GLU A 23 17.204 0.272 24.939 1.00 0.00 C ATOM 322 CD GLU A 23 17.047 -0.853 25.944 1.00 0.00 C ATOM 323 OE1 GLU A 23 16.256 -0.704 26.898 1.00 0.00 O ATOM 324 OE2 GLU A 23 17.696 -1.902 25.763 1.00 0.00 O ATOM 0 H GLU A 23 13.611 1.818 24.328 1.00 0.00 H new ATOM 0 HA GLU A 23 15.256 1.324 26.548 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.161 0.091 24.333 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.011 1.437 23.601 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.709 -0.108 24.051 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.844 1.045 25.363 1.00 0.00 H new ATOM 331 N CYS A 24 16.143 3.908 24.689 1.00 0.00 N ATOM 332 CA CYS A 24 16.969 5.103 24.667 1.00 0.00 C ATOM 333 C CYS A 24 16.537 6.095 25.748 1.00 0.00 C ATOM 334 O CYS A 24 17.369 6.788 26.334 1.00 0.00 O ATOM 335 CB CYS A 24 16.894 5.749 23.287 1.00 0.00 C ATOM 336 SG CYS A 24 17.362 4.642 21.937 1.00 0.00 S ATOM 0 H CYS A 24 15.560 3.782 23.861 1.00 0.00 H new ATOM 0 HA CYS A 24 18.000 4.817 24.876 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.878 6.104 23.117 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.545 6.623 23.270 1.00 0.00 H new ATOM 0 HG CYS A 24 16.359 3.869 21.642 1.00 0.00 H new ATOM 342 N LEU A 25 15.240 6.133 26.029 1.00 0.00 N ATOM 343 CA LEU A 25 14.685 7.066 27.006 1.00 0.00 C ATOM 344 C LEU A 25 15.168 6.773 28.425 1.00 0.00 C ATOM 345 O LEU A 25 15.148 7.657 29.280 1.00 0.00 O ATOM 346 CB LEU A 25 13.156 7.028 26.969 1.00 0.00 C ATOM 347 CG LEU A 25 12.515 7.682 25.744 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.019 7.418 25.721 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.788 9.179 25.739 1.00 0.00 C ATOM 0 H LEU A 25 14.548 5.525 25.592 1.00 0.00 H new ATOM 0 HA LEU A 25 15.037 8.060 26.732 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.834 5.988 27.015 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.775 7.520 27.864 1.00 0.00 H new ATOM 0 HG LEU A 25 12.957 7.245 24.849 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.580 7.891 24.843 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.840 6.344 25.683 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.563 7.830 26.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.325 9.630 24.861 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.371 9.628 26.640 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.864 9.353 25.712 1.00 0.00 H new ATOM 361 N LYS A 26 15.616 5.547 28.678 1.00 0.00 N ATOM 362 CA LYS A 26 16.012 5.157 30.029 1.00 0.00 C ATOM 363 C LYS A 26 17.340 5.805 30.424 1.00 0.00 C ATOM 364 O LYS A 26 17.620 5.984 31.608 1.00 0.00 O ATOM 365 CB LYS A 26 16.103 3.629 30.151 1.00 0.00 C ATOM 366 CG LYS A 26 17.371 3.029 29.563 1.00 0.00 C ATOM 367 CD LYS A 26 17.258 1.522 29.400 1.00 0.00 C ATOM 368 CE LYS A 26 17.031 0.823 30.732 1.00 0.00 C ATOM 369 NZ LYS A 26 16.786 -0.632 30.556 1.00 0.00 N ATOM 0 H LYS A 26 15.714 4.814 27.976 1.00 0.00 H new ATOM 0 HA LYS A 26 15.244 5.513 30.716 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.040 3.356 31.204 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.240 3.184 29.655 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.574 3.485 28.594 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.217 3.263 30.209 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.435 1.291 28.724 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.168 1.137 28.939 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.900 0.970 31.373 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.180 1.276 31.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.636 -1.074 31.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.942 -0.773 29.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.609 -1.069 30.094 1.00 0.00 H new ATOM 383 N ILE A 27 18.148 6.170 29.432 1.00 0.00 N ATOM 384 CA ILE A 27 19.461 6.756 29.699 1.00 0.00 C ATOM 385 C ILE A 27 19.621 8.119 29.035 1.00 0.00 C ATOM 386 O ILE A 27 20.576 8.846 29.312 1.00 0.00 O ATOM 387 CB ILE A 27 20.604 5.834 29.221 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.391 5.435 27.756 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.706 4.605 30.110 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.516 4.602 27.177 1.00 0.00 C ATOM 0 H ILE A 27 17.920 6.072 28.443 1.00 0.00 H new ATOM 0 HA ILE A 27 19.523 6.877 30.781 1.00 0.00 H new ATOM 0 HB ILE A 27 21.545 6.380 29.292 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.459 4.876 27.674 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.275 6.338 27.157 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.517 3.967 29.758 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.907 4.914 31.136 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.768 4.052 30.075 1.00 0.00 H new ATOM 0 HD11 ILE A 27 21.292 4.360 26.138 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.448 5.165 27.225 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.619 3.681 27.750 1.00 0.00 H new ATOM 402 N GLY A 28 18.683 8.468 28.168 1.00 0.00 N ATOM 403 CA GLY A 28 18.801 9.700 27.415 1.00 0.00 C ATOM 404 C GLY A 28 19.668 9.513 26.189 1.00 0.00 C ATOM 405 O GLY A 28 20.631 10.246 25.972 1.00 0.00 O ATOM 0 H GLY A 28 17.844 7.922 27.972 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.810 10.041 27.114 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.227 10.477 28.049 1.00 0.00 H new ATOM 409 N SER A 29 19.331 8.508 25.401 1.00 0.00 N ATOM 410 CA SER A 29 20.080 8.182 24.202 1.00 0.00 C ATOM 411 C SER A 29 19.292 8.616 22.966 1.00 0.00 C ATOM 412 O SER A 29 18.061 8.541 22.952 1.00 0.00 O ATOM 413 CB SER A 29 20.358 6.673 24.174 1.00 0.00 C ATOM 414 OG SER A 29 21.242 6.314 23.127 1.00 0.00 O ATOM 0 H SER A 29 18.533 7.897 25.574 1.00 0.00 H new ATOM 0 HA SER A 29 21.032 8.713 24.202 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.784 6.365 25.129 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.418 6.134 24.056 1.00 0.00 H new ATOM 0 HG SER A 29 21.394 5.346 23.145 1.00 0.00 H new ATOM 420 N PRO A 30 19.982 9.109 21.927 1.00 0.00 N ATOM 421 CA PRO A 30 19.338 9.521 20.679 1.00 0.00 C ATOM 422 C PRO A 30 18.870 8.332 19.841 1.00 0.00 C ATOM 423 O PRO A 30 19.299 7.195 20.053 1.00 0.00 O ATOM 424 CB PRO A 30 20.443 10.288 19.949 1.00 0.00 C ATOM 425 CG PRO A 30 21.711 9.705 20.465 1.00 0.00 C ATOM 426 CD PRO A 30 21.441 9.321 21.893 1.00 0.00 C ATOM 0 HA PRO A 30 18.438 10.108 20.861 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.362 10.167 18.869 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.386 11.357 20.155 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.008 8.837 19.877 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.526 10.426 20.403 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.984 8.419 22.175 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.748 10.106 22.584 1.00 0.00 H new ATOM 434 N TRP A 31 17.982 8.603 18.898 1.00 0.00 N ATOM 435 CA TRP A 31 17.481 7.581 17.994 1.00 0.00 C ATOM 436 C TRP A 31 17.233 8.183 16.619 1.00 0.00 C ATOM 437 O TRP A 31 17.170 9.405 16.475 1.00 0.00 O ATOM 438 CB TRP A 31 16.190 6.950 18.536 1.00 0.00 C ATOM 439 CG TRP A 31 15.098 7.940 18.830 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.330 8.615 17.924 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.642 8.350 20.124 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.440 9.432 18.576 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.608 9.283 19.925 1.00 0.00 C ATOM 444 CE3 TRP A 31 15.011 8.022 21.430 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.940 9.889 20.984 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.346 8.624 22.480 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.320 9.548 22.252 1.00 0.00 C ATOM 0 H TRP A 31 17.591 9.531 18.738 1.00 0.00 H new ATOM 0 HA TRP A 31 18.233 6.796 17.913 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.822 6.224 17.811 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.422 6.400 19.448 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.411 8.520 16.851 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.764 10.050 18.127 1.00 0.00 H new ATOM 0 HE3 TRP A 31 15.802 7.311 21.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.149 10.604 20.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.622 8.377 23.494 1.00 0.00 H new ATOM 0 HH2 TRP A 31 12.818 10.001 23.095 1.00 0.00 H new ATOM 458 N VAL A 32 17.097 7.329 15.616 1.00 0.00 N ATOM 459 CA VAL A 32 16.815 7.788 14.265 1.00 0.00 C ATOM 460 C VAL A 32 15.305 7.889 14.044 1.00 0.00 C ATOM 461 O VAL A 32 14.761 8.985 13.914 1.00 0.00 O ATOM 462 CB VAL A 32 17.450 6.855 13.211 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.214 7.376 11.804 1.00 0.00 C ATOM 464 CG2 VAL A 32 18.939 6.702 13.472 1.00 0.00 C ATOM 0 H VAL A 32 17.177 6.317 15.712 1.00 0.00 H new ATOM 0 HA VAL A 32 17.258 8.777 14.147 1.00 0.00 H new ATOM 0 HB VAL A 32 16.973 5.878 13.294 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.672 6.699 11.084 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.142 7.437 11.614 1.00 0.00 H new ATOM 0 HG13 VAL A 32 17.658 8.367 11.704 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.374 6.042 12.722 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.420 7.679 13.419 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.093 6.276 14.463 1.00 0.00 H new ATOM 474 N HIS A 33 14.629 6.745 14.014 1.00 0.00 N ATOM 475 CA HIS A 33 13.173 6.716 13.893 1.00 0.00 C ATOM 476 C HIS A 33 12.604 5.632 14.801 1.00 0.00 C ATOM 477 O HIS A 33 13.348 4.783 15.306 1.00 0.00 O ATOM 478 CB HIS A 33 12.728 6.483 12.440 1.00 0.00 C ATOM 479 CG HIS A 33 13.133 7.576 11.491 1.00 0.00 C ATOM 480 ND1 HIS A 33 12.507 8.804 11.432 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.129 7.627 10.576 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.102 9.556 10.527 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.088 8.866 9.995 1.00 0.00 N ATOM 0 H HIS A 33 15.065 5.825 14.072 1.00 0.00 H new ATOM 0 HA HIS A 33 12.788 7.688 14.201 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.146 5.539 12.090 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.643 6.379 12.416 1.00 0.00 H new ATOM 0 HD1 HIS A 33 11.708 9.086 12.000 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.828 6.836 10.346 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.827 10.567 10.266 1.00 0.00 H new ATOM 492 N LEU A 34 11.294 5.658 15.007 1.00 0.00 N ATOM 493 CA LEU A 34 10.650 4.744 15.942 1.00 0.00 C ATOM 494 C LEU A 34 9.768 3.734 15.220 1.00 0.00 C ATOM 495 O LEU A 34 9.165 4.037 14.187 1.00 0.00 O ATOM 496 CB LEU A 34 9.804 5.506 16.974 1.00 0.00 C ATOM 497 CG LEU A 34 10.573 6.422 17.933 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.820 5.729 18.456 1.00 0.00 C ATOM 499 CD2 LEU A 34 10.923 7.742 17.266 1.00 0.00 C ATOM 0 H LEU A 34 10.656 6.302 14.539 1.00 0.00 H new ATOM 0 HA LEU A 34 11.448 4.210 16.457 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.070 6.109 16.438 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.248 4.779 17.566 1.00 0.00 H new ATOM 0 HG LEU A 34 9.925 6.640 18.782 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.350 6.397 19.135 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.536 4.822 18.989 1.00 0.00 H new ATOM 0 HD13 LEU A 34 12.470 5.470 17.620 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.468 8.372 17.969 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.544 7.554 16.391 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.008 8.249 16.959 1.00 0.00 H new ATOM 511 N ARG A 35 9.698 2.539 15.786 1.00 0.00 N ATOM 512 CA ARG A 35 8.863 1.468 15.266 1.00 0.00 C ATOM 513 C ARG A 35 7.940 0.955 16.364 1.00 0.00 C ATOM 514 O ARG A 35 8.369 0.755 17.502 1.00 0.00 O ATOM 515 CB ARG A 35 9.726 0.311 14.760 1.00 0.00 C ATOM 516 CG ARG A 35 10.607 0.660 13.574 1.00 0.00 C ATOM 517 CD ARG A 35 11.547 -0.485 13.243 1.00 0.00 C ATOM 518 NE ARG A 35 12.330 -0.233 12.036 1.00 0.00 N ATOM 519 CZ ARG A 35 13.230 -1.084 11.546 1.00 0.00 C ATOM 520 NH1 ARG A 35 13.402 -2.275 12.103 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.937 -0.757 10.476 1.00 0.00 N ATOM 0 H ARG A 35 10.222 2.284 16.623 1.00 0.00 H new ATOM 0 HA ARG A 35 8.274 1.863 14.439 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.358 -0.039 15.576 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.075 -0.518 14.482 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.985 0.887 12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.184 1.557 13.796 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.222 -0.651 14.082 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.969 -1.400 13.113 1.00 0.00 H new ATOM 0 HE ARG A 35 12.179 0.645 11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.843 -2.545 12.912 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.093 -2.921 11.722 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.793 0.147 10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.626 -1.409 10.101 1.00 0.00 H new ATOM 535 N ILE A 36 6.681 0.749 16.026 1.00 0.00 N ATOM 536 CA ILE A 36 5.714 0.212 16.971 1.00 0.00 C ATOM 537 C ILE A 36 5.041 -1.021 16.374 1.00 0.00 C ATOM 538 O ILE A 36 4.750 -1.052 15.185 1.00 0.00 O ATOM 539 CB ILE A 36 4.646 1.273 17.344 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.670 0.719 18.387 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.895 1.745 16.102 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.621 1.716 18.831 1.00 0.00 C ATOM 0 H ILE A 36 6.301 0.946 15.100 1.00 0.00 H new ATOM 0 HA ILE A 36 6.243 -0.067 17.882 1.00 0.00 H new ATOM 0 HB ILE A 36 5.159 2.131 17.779 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.172 -0.159 17.975 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.234 0.386 19.258 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.151 2.489 16.387 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.599 2.188 15.397 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.398 0.896 15.633 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.967 1.252 19.569 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.109 2.585 19.273 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.031 2.031 17.970 1.00 0.00 H new ATOM 554 N CYS A 37 4.837 -2.057 17.178 1.00 0.00 N ATOM 555 CA CYS A 37 4.117 -3.235 16.697 1.00 0.00 C ATOM 556 C CYS A 37 2.679 -2.879 16.388 1.00 0.00 C ATOM 557 O CYS A 37 2.081 -2.054 17.073 1.00 0.00 O ATOM 558 CB CYS A 37 4.054 -4.348 17.733 1.00 0.00 C ATOM 559 SG CYS A 37 5.620 -5.082 18.259 1.00 0.00 S ATOM 0 H CYS A 37 5.151 -2.109 18.147 1.00 0.00 H new ATOM 0 HA CYS A 37 4.663 -3.574 15.816 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.551 -3.957 18.617 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.425 -5.144 17.334 1.00 0.00 H new ATOM 0 HG CYS A 37 5.384 -6.150 18.962 1.00 0.00 H new ATOM 564 N ARG A 38 2.111 -3.538 15.398 1.00 0.00 N ATOM 565 CA ARG A 38 0.678 -3.467 15.178 1.00 0.00 C ATOM 566 C ARG A 38 -0.017 -4.549 15.998 1.00 0.00 C ATOM 567 O ARG A 38 -1.223 -4.760 15.890 1.00 0.00 O ATOM 568 CB ARG A 38 0.352 -3.623 13.696 1.00 0.00 C ATOM 569 CG ARG A 38 0.755 -2.425 12.858 1.00 0.00 C ATOM 570 CD ARG A 38 0.113 -1.152 13.382 1.00 0.00 C ATOM 571 NE ARG A 38 -1.327 -1.311 13.590 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.216 -0.348 13.372 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.825 0.831 12.915 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.503 -0.562 13.616 1.00 0.00 N ATOM 0 H ARG A 38 2.616 -4.126 14.735 1.00 0.00 H new ATOM 0 HA ARG A 38 0.317 -2.490 15.499 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.856 -4.510 13.313 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.719 -3.791 13.584 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.840 -2.319 12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.459 -2.586 11.821 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.586 -0.867 14.322 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.290 -0.340 12.677 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.668 -2.213 13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.837 1.004 12.728 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.512 1.567 12.749 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.811 -1.467 13.972 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.184 0.179 13.448 1.00 0.00 H new ATOM 588 N THR A 39 0.772 -5.225 16.825 1.00 0.00 N ATOM 589 CA THR A 39 0.277 -6.298 17.668 1.00 0.00 C ATOM 590 C THR A 39 0.087 -5.832 19.114 1.00 0.00 C ATOM 591 O THR A 39 -1.035 -5.735 19.598 1.00 0.00 O ATOM 592 CB THR A 39 1.256 -7.483 17.661 1.00 0.00 C ATOM 593 OG1 THR A 39 1.940 -7.540 16.401 1.00 0.00 O ATOM 594 CG2 THR A 39 0.523 -8.789 17.915 1.00 0.00 C ATOM 0 H THR A 39 1.770 -5.043 16.927 1.00 0.00 H new ATOM 0 HA THR A 39 -0.687 -6.606 17.263 1.00 0.00 H new ATOM 0 HB THR A 39 1.983 -7.338 18.460 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.564 -8.296 16.401 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.235 -9.614 17.906 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.030 -8.747 18.886 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.223 -8.945 17.136 1.00 0.00 H new ATOM 602 N CYS A 40 1.195 -5.534 19.797 1.00 0.00 N ATOM 603 CA CYS A 40 1.137 -5.209 21.222 1.00 0.00 C ATOM 604 C CYS A 40 1.123 -3.696 21.464 1.00 0.00 C ATOM 605 O CYS A 40 0.474 -3.222 22.391 1.00 0.00 O ATOM 606 CB CYS A 40 2.304 -5.871 21.977 1.00 0.00 C ATOM 607 SG CYS A 40 3.936 -5.092 21.713 1.00 0.00 S ATOM 0 H CYS A 40 2.131 -5.511 19.392 1.00 0.00 H new ATOM 0 HA CYS A 40 0.199 -5.608 21.609 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.080 -5.858 23.044 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.365 -6.917 21.676 1.00 0.00 H new ATOM 0 HG CYS A 40 4.284 -5.224 20.467 1.00 0.00 H new ATOM 612 N GLY A 41 1.822 -2.935 20.623 1.00 0.00 N ATOM 613 CA GLY A 41 1.847 -1.487 20.791 1.00 0.00 C ATOM 614 C GLY A 41 3.063 -0.988 21.557 1.00 0.00 C ATOM 615 O GLY A 41 3.124 0.177 21.945 1.00 0.00 O ATOM 0 H GLY A 41 2.366 -3.289 19.836 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.827 -1.014 19.809 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.944 -1.174 21.314 1.00 0.00 H new ATOM 619 N HIS A 42 4.036 -1.862 21.775 1.00 0.00 N ATOM 620 CA HIS A 42 5.258 -1.476 22.472 1.00 0.00 C ATOM 621 C HIS A 42 6.209 -0.812 21.482 1.00 0.00 C ATOM 622 O HIS A 42 6.453 -1.347 20.398 1.00 0.00 O ATOM 623 CB HIS A 42 5.918 -2.701 23.116 1.00 0.00 C ATOM 624 CG HIS A 42 6.819 -2.380 24.274 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.467 -2.622 25.584 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.067 -1.855 24.316 1.00 0.00 C ATOM 627 CE1 HIS A 42 7.454 -2.260 26.380 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.435 -1.793 25.635 1.00 0.00 N ATOM 0 H HIS A 42 4.005 -2.838 21.482 1.00 0.00 H new ATOM 0 HA HIS A 42 5.015 -0.770 23.266 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.138 -3.383 23.455 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.495 -3.229 22.357 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.661 -1.544 23.469 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.458 -2.334 27.457 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.327 -1.441 25.984 1.00 0.00 H new ATOM 637 N VAL A 43 6.731 0.349 21.855 1.00 0.00 N ATOM 638 CA VAL A 43 7.549 1.154 20.954 1.00 0.00 C ATOM 639 C VAL A 43 9.034 0.805 21.078 1.00 0.00 C ATOM 640 O VAL A 43 9.522 0.476 22.163 1.00 0.00 O ATOM 641 CB VAL A 43 7.359 2.664 21.235 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.053 3.505 20.174 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.878 3.018 21.320 1.00 0.00 C ATOM 0 H VAL A 43 6.602 0.757 22.781 1.00 0.00 H new ATOM 0 HA VAL A 43 7.219 0.928 19.940 1.00 0.00 H new ATOM 0 HB VAL A 43 7.818 2.887 22.198 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.905 4.562 20.394 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.120 3.281 20.172 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.632 3.275 19.195 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.770 4.084 21.518 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.391 2.773 20.376 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.414 2.450 22.126 1.00 0.00 H new ATOM 653 N GLY A 44 9.739 0.863 19.956 1.00 0.00 N ATOM 654 CA GLY A 44 11.173 0.652 19.945 1.00 0.00 C ATOM 655 C GLY A 44 11.836 1.433 18.829 1.00 0.00 C ATOM 656 O GLY A 44 11.152 2.017 17.993 1.00 0.00 O ATOM 0 H GLY A 44 9.335 1.056 19.039 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.595 0.955 20.904 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.385 -0.410 19.824 1.00 0.00 H new ATOM 660 N CYS A 45 13.160 1.462 18.810 1.00 0.00 N ATOM 661 CA CYS A 45 13.881 2.164 17.756 1.00 0.00 C ATOM 662 C CYS A 45 14.152 1.228 16.589 1.00 0.00 C ATOM 663 O CYS A 45 14.194 0.007 16.765 1.00 0.00 O ATOM 664 CB CYS A 45 15.205 2.715 18.287 1.00 0.00 C ATOM 665 SG CYS A 45 16.383 1.437 18.789 1.00 0.00 S ATOM 0 H CYS A 45 13.754 1.012 19.506 1.00 0.00 H new ATOM 0 HA CYS A 45 13.262 2.994 17.415 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.664 3.336 17.517 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.002 3.363 19.140 1.00 0.00 H new ATOM 0 HG CYS A 45 16.832 0.823 17.735 1.00 0.00 H new ATOM 671 N CYS A 46 14.333 1.802 15.405 1.00 0.00 N ATOM 672 CA CYS A 46 14.690 1.031 14.220 1.00 0.00 C ATOM 673 C CYS A 46 15.999 0.277 14.439 1.00 0.00 C ATOM 674 O CYS A 46 16.790 0.632 15.318 1.00 0.00 O ATOM 675 CB CYS A 46 14.821 1.961 13.012 1.00 0.00 C ATOM 676 SG CYS A 46 13.318 2.888 12.630 1.00 0.00 S ATOM 0 H CYS A 46 14.238 2.804 15.240 1.00 0.00 H new ATOM 0 HA CYS A 46 13.900 0.304 14.031 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.633 2.665 13.195 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.102 1.370 12.140 1.00 0.00 H new ATOM 0 HG CYS A 46 13.455 3.482 11.482 1.00 0.00 H new ATOM 682 N ASP A 47 16.232 -0.756 13.634 1.00 0.00 N ATOM 683 CA ASP A 47 17.451 -1.550 13.754 1.00 0.00 C ATOM 684 C ASP A 47 18.639 -0.806 13.155 1.00 0.00 C ATOM 685 O ASP A 47 19.774 -1.268 13.232 1.00 0.00 O ATOM 686 CB ASP A 47 17.293 -2.926 13.092 1.00 0.00 C ATOM 687 CG ASP A 47 17.075 -2.856 11.593 1.00 0.00 C ATOM 688 OD1 ASP A 47 15.911 -2.707 11.167 1.00 0.00 O ATOM 689 OD2 ASP A 47 18.060 -2.973 10.834 1.00 0.00 O ATOM 0 H ASP A 47 15.597 -1.061 12.896 1.00 0.00 H new ATOM 0 HA ASP A 47 17.637 -1.709 14.816 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.183 -3.522 13.294 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.451 -3.446 13.549 1.00 0.00 H new ATOM 694 N ASP A 48 18.367 0.345 12.552 1.00 0.00 N ATOM 695 CA ASP A 48 19.429 1.218 12.071 1.00 0.00 C ATOM 696 C ASP A 48 20.238 1.739 13.252 1.00 0.00 C ATOM 697 O ASP A 48 21.468 1.739 13.225 1.00 0.00 O ATOM 698 CB ASP A 48 18.852 2.390 11.276 1.00 0.00 C ATOM 699 CG ASP A 48 19.935 3.305 10.738 1.00 0.00 C ATOM 700 OD1 ASP A 48 20.657 2.894 9.808 1.00 0.00 O ATOM 701 OD2 ASP A 48 20.071 4.440 11.241 1.00 0.00 O ATOM 0 H ASP A 48 17.423 0.694 12.385 1.00 0.00 H new ATOM 0 HA ASP A 48 20.078 0.644 11.410 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.257 2.007 10.447 1.00 0.00 H new ATOM 0 HB3 ASP A 48 18.178 2.963 11.913 1.00 0.00 H new ATOM 706 N SER A 49 19.528 2.164 14.291 1.00 0.00 N ATOM 707 CA SER A 49 20.157 2.624 15.515 1.00 0.00 C ATOM 708 C SER A 49 20.752 1.437 16.268 1.00 0.00 C ATOM 709 O SER A 49 20.074 0.430 16.461 1.00 0.00 O ATOM 710 CB SER A 49 19.130 3.351 16.384 1.00 0.00 C ATOM 711 OG SER A 49 18.495 4.387 15.652 1.00 0.00 O ATOM 0 H SER A 49 18.509 2.198 14.305 1.00 0.00 H new ATOM 0 HA SER A 49 20.960 3.319 15.270 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.383 2.642 16.743 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.621 3.769 17.263 1.00 0.00 H new ATOM 0 HG SER A 49 17.523 4.308 15.749 1.00 0.00 H new ATOM 717 N PRO A 50 22.022 1.559 16.696 1.00 0.00 N ATOM 718 CA PRO A 50 22.791 0.476 17.336 1.00 0.00 C ATOM 719 C PRO A 50 22.009 -0.340 18.370 1.00 0.00 C ATOM 720 O PRO A 50 22.171 -1.558 18.450 1.00 0.00 O ATOM 721 CB PRO A 50 23.931 1.228 18.013 1.00 0.00 C ATOM 722 CG PRO A 50 24.168 2.409 17.140 1.00 0.00 C ATOM 723 CD PRO A 50 22.826 2.792 16.575 1.00 0.00 C ATOM 0 HA PRO A 50 23.096 -0.269 16.601 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.661 1.530 19.025 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.824 0.608 18.093 1.00 0.00 H new ATOM 0 HG2 PRO A 50 24.600 3.233 17.709 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.871 2.169 16.343 1.00 0.00 H new ATOM 0 HD2 PRO A 50 22.379 3.616 17.131 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.907 3.115 15.537 1.00 0.00 H new ATOM 731 N HIS A 51 21.175 0.330 19.163 1.00 0.00 N ATOM 732 CA HIS A 51 20.367 -0.339 20.185 1.00 0.00 C ATOM 733 C HIS A 51 19.500 -1.443 19.580 1.00 0.00 C ATOM 734 O HIS A 51 19.385 -2.531 20.147 1.00 0.00 O ATOM 735 CB HIS A 51 19.472 0.671 20.908 1.00 0.00 C ATOM 736 CG HIS A 51 19.964 1.061 22.270 1.00 0.00 C ATOM 737 ND1 HIS A 51 20.005 2.368 22.716 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.386 0.299 23.308 1.00 0.00 C ATOM 739 CE1 HIS A 51 20.424 2.388 23.971 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.661 1.148 24.349 1.00 0.00 N ATOM 0 H HIS A 51 21.040 1.340 19.118 1.00 0.00 H new ATOM 0 HA HIS A 51 21.056 -0.792 20.898 1.00 0.00 H new ATOM 0 HB2 HIS A 51 19.385 1.568 20.294 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.471 0.251 21.002 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.487 -0.776 23.314 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.550 3.270 24.581 1.00 0.00 H new ATOM 0 HE2 HIS A 51 20.996 0.865 25.270 1.00 0.00 H new ATOM 749 N LYS A 52 18.907 -1.144 18.424 1.00 0.00 N ATOM 750 CA LYS A 52 18.022 -2.070 17.713 1.00 0.00 C ATOM 751 C LYS A 52 16.982 -2.680 18.653 1.00 0.00 C ATOM 752 O LYS A 52 16.822 -3.899 18.720 1.00 0.00 O ATOM 753 CB LYS A 52 18.837 -3.179 17.037 1.00 0.00 C ATOM 754 CG LYS A 52 20.008 -2.661 16.220 1.00 0.00 C ATOM 755 CD LYS A 52 20.545 -3.707 15.259 1.00 0.00 C ATOM 756 CE LYS A 52 20.904 -5.005 15.961 1.00 0.00 C ATOM 757 NZ LYS A 52 21.458 -6.002 15.009 1.00 0.00 N ATOM 0 H LYS A 52 19.027 -0.248 17.951 1.00 0.00 H new ATOM 0 HA LYS A 52 17.494 -1.501 16.948 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.211 -3.861 17.801 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.180 -3.757 16.388 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.696 -1.781 15.658 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.806 -2.344 16.892 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.799 -3.907 14.490 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.427 -3.314 14.754 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.633 -4.806 16.746 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.018 -5.416 16.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.693 -6.877 15.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.752 -6.209 14.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.317 -5.619 14.566 1.00 0.00 H new ATOM 771 N HIS A 53 16.260 -1.824 19.368 1.00 0.00 N ATOM 772 CA HIS A 53 15.316 -2.290 20.379 1.00 0.00 C ATOM 773 C HIS A 53 14.120 -2.991 19.737 1.00 0.00 C ATOM 774 O HIS A 53 13.511 -3.867 20.347 1.00 0.00 O ATOM 775 CB HIS A 53 14.835 -1.124 21.249 1.00 0.00 C ATOM 776 CG HIS A 53 14.135 -1.561 22.503 1.00 0.00 C ATOM 777 ND1 HIS A 53 12.858 -1.160 22.844 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.558 -2.352 23.515 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.535 -1.686 24.012 1.00 0.00 C ATOM 780 NE2 HIS A 53 13.549 -2.413 24.438 1.00 0.00 N ATOM 0 H HIS A 53 16.309 -0.810 19.268 1.00 0.00 H new ATOM 0 HA HIS A 53 15.837 -3.010 21.010 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.691 -0.504 21.517 1.00 0.00 H new ATOM 0 HB3 HIS A 53 14.160 -0.499 20.664 1.00 0.00 H new ATOM 0 HD2 HIS A 53 15.516 -2.845 23.583 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.598 -1.544 24.530 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.577 -2.936 25.313 1.00 0.00 H new ATOM 789 N ALA A 54 13.790 -2.607 18.508 1.00 0.00 N ATOM 790 CA ALA A 54 12.651 -3.191 17.811 1.00 0.00 C ATOM 791 C ALA A 54 12.914 -4.644 17.436 1.00 0.00 C ATOM 792 O ALA A 54 12.041 -5.496 17.590 1.00 0.00 O ATOM 793 CB ALA A 54 12.306 -2.380 16.572 1.00 0.00 C ATOM 0 H ALA A 54 14.293 -1.897 17.976 1.00 0.00 H new ATOM 0 HA ALA A 54 11.801 -3.168 18.492 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.453 -2.833 16.066 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.055 -1.360 16.863 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.162 -2.365 15.897 1.00 0.00 H new ATOM 799 N THR A 55 14.120 -4.927 16.957 1.00 0.00 N ATOM 800 CA THR A 55 14.474 -6.276 16.543 1.00 0.00 C ATOM 801 C THR A 55 14.646 -7.195 17.748 1.00 0.00 C ATOM 802 O THR A 55 14.209 -8.347 17.722 1.00 0.00 O ATOM 803 CB THR A 55 15.755 -6.279 15.692 1.00 0.00 C ATOM 804 OG1 THR A 55 16.705 -5.365 16.249 1.00 0.00 O ATOM 805 CG2 THR A 55 15.452 -5.893 14.252 1.00 0.00 C ATOM 0 H THR A 55 14.866 -4.241 16.847 1.00 0.00 H new ATOM 0 HA THR A 55 13.653 -6.653 15.934 1.00 0.00 H new ATOM 0 HB THR A 55 16.170 -7.287 15.697 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.604 -5.749 16.185 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.374 -5.903 13.671 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.747 -6.606 13.825 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.018 -4.894 14.227 1.00 0.00 H new ATOM 813 N ARG A 56 15.267 -6.677 18.809 1.00 0.00 N ATOM 814 CA ARG A 56 15.404 -7.435 20.051 1.00 0.00 C ATOM 815 C ARG A 56 14.026 -7.825 20.572 1.00 0.00 C ATOM 816 O ARG A 56 13.777 -8.983 20.911 1.00 0.00 O ATOM 817 CB ARG A 56 16.142 -6.625 21.121 1.00 0.00 C ATOM 818 CG ARG A 56 17.579 -6.269 20.769 1.00 0.00 C ATOM 819 CD ARG A 56 18.280 -5.629 21.957 1.00 0.00 C ATOM 820 NE ARG A 56 19.633 -5.166 21.641 1.00 0.00 N ATOM 821 CZ ARG A 56 20.727 -5.578 22.285 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.641 -6.522 23.214 1.00 0.00 N ATOM 823 NH2 ARG A 56 21.909 -5.047 22.004 1.00 0.00 N ATOM 0 H ARG A 56 15.679 -5.744 18.833 1.00 0.00 H new ATOM 0 HA ARG A 56 15.988 -8.330 19.835 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.589 -5.704 21.307 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.140 -7.191 22.052 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.117 -7.166 20.463 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.592 -5.585 19.921 1.00 0.00 H new ATOM 0 HD2 ARG A 56 17.687 -4.786 22.311 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.330 -6.349 22.774 1.00 0.00 H new ATOM 0 HE ARG A 56 19.746 -4.490 20.886 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.736 -6.936 23.438 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.480 -6.834 23.704 1.00 0.00 H new ATOM 0 HH21 ARG A 56 21.985 -4.320 21.293 1.00 0.00 H new ATOM 0 HH22 ARG A 56 22.742 -5.366 22.499 1.00 0.00 H new ATOM 837 N HIS A 57 13.127 -6.848 20.604 1.00 0.00 N ATOM 838 CA HIS A 57 11.761 -7.069 21.054 1.00 0.00 C ATOM 839 C HIS A 57 11.023 -8.030 20.118 1.00 0.00 C ATOM 840 O HIS A 57 10.201 -8.833 20.568 1.00 0.00 O ATOM 841 CB HIS A 57 11.022 -5.727 21.157 1.00 0.00 C ATOM 842 CG HIS A 57 9.551 -5.860 21.394 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.958 -5.854 22.637 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.549 -6.022 20.502 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.640 -6.015 22.462 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.346 -6.121 21.179 1.00 0.00 N ATOM 0 H HIS A 57 13.324 -5.888 20.321 1.00 0.00 H new ATOM 0 HA HIS A 57 11.789 -7.530 22.041 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.459 -5.144 21.968 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.182 -5.164 20.238 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.668 -6.067 19.430 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.916 -6.053 23.262 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.420 -6.250 20.770 1.00 0.00 H new ATOM 854 N PHE A 58 11.306 -7.937 18.821 1.00 0.00 N ATOM 855 CA PHE A 58 10.718 -8.846 17.841 1.00 0.00 C ATOM 856 C PHE A 58 11.062 -10.291 18.184 1.00 0.00 C ATOM 857 O PHE A 58 10.192 -11.155 18.190 1.00 0.00 O ATOM 858 CB PHE A 58 11.198 -8.498 16.424 1.00 0.00 C ATOM 859 CG PHE A 58 10.914 -9.563 15.393 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.673 -10.174 15.312 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.901 -9.953 14.505 1.00 0.00 C ATOM 862 CE1 PHE A 58 9.426 -11.153 14.368 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.660 -10.929 13.558 1.00 0.00 C ATOM 864 CZ PHE A 58 10.421 -11.531 13.490 1.00 0.00 C ATOM 0 H PHE A 58 11.938 -7.242 18.425 1.00 0.00 H new ATOM 0 HA PHE A 58 9.634 -8.732 17.871 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.723 -7.569 16.110 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.272 -8.313 16.452 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.889 -9.882 15.995 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.874 -9.487 14.553 1.00 0.00 H new ATOM 0 HE1 PHE A 58 8.454 -11.622 14.318 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.441 -11.221 12.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.230 -12.296 12.752 1.00 0.00 H new ATOM 874 N HIS A 59 12.324 -10.542 18.493 1.00 0.00 N ATOM 875 CA HIS A 59 12.760 -11.887 18.850 1.00 0.00 C ATOM 876 C HIS A 59 12.195 -12.306 20.203 1.00 0.00 C ATOM 877 O HIS A 59 11.993 -13.491 20.461 1.00 0.00 O ATOM 878 CB HIS A 59 14.288 -11.976 18.869 1.00 0.00 C ATOM 879 CG HIS A 59 14.903 -12.044 17.505 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.202 -13.233 16.877 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.276 -11.065 16.649 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.733 -12.983 15.694 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.787 -11.675 15.532 1.00 0.00 N ATOM 0 H HIS A 59 13.062 -9.838 18.505 1.00 0.00 H new ATOM 0 HA HIS A 59 12.379 -12.570 18.091 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.687 -11.109 19.395 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.585 -12.858 19.436 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.188 -10.001 16.814 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.066 -13.723 14.981 1.00 0.00 H new ATOM 0 HE2 HIS A 59 16.150 -11.195 14.709 1.00 0.00 H new ATOM 892 N ALA A 60 11.931 -11.327 21.055 1.00 0.00 N ATOM 893 CA ALA A 60 11.431 -11.591 22.397 1.00 0.00 C ATOM 894 C ALA A 60 9.951 -11.975 22.395 1.00 0.00 C ATOM 895 O ALA A 60 9.557 -12.951 23.031 1.00 0.00 O ATOM 896 CB ALA A 60 11.654 -10.375 23.283 1.00 0.00 C ATOM 0 H ALA A 60 12.055 -10.338 20.840 1.00 0.00 H new ATOM 0 HA ALA A 60 11.987 -12.440 22.793 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.277 -10.581 24.285 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.720 -10.153 23.335 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.125 -9.518 22.865 1.00 0.00 H new ATOM 902 N THR A 61 9.134 -11.212 21.678 1.00 0.00 N ATOM 903 CA THR A 61 7.684 -11.400 21.728 1.00 0.00 C ATOM 904 C THR A 61 7.124 -12.007 20.443 1.00 0.00 C ATOM 905 O THR A 61 5.940 -12.337 20.371 1.00 0.00 O ATOM 906 CB THR A 61 6.967 -10.065 22.002 1.00 0.00 C ATOM 907 OG1 THR A 61 7.476 -9.048 21.128 1.00 0.00 O ATOM 908 CG2 THR A 61 7.143 -9.634 23.450 1.00 0.00 C ATOM 0 H THR A 61 9.445 -10.463 21.059 1.00 0.00 H new ATOM 0 HA THR A 61 7.498 -12.099 22.543 1.00 0.00 H new ATOM 0 HB THR A 61 5.903 -10.208 21.815 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.733 -8.631 20.644 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.626 -8.688 23.614 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.725 -10.395 24.109 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.204 -9.509 23.666 1.00 0.00 H new ATOM 916 N GLY A 62 7.968 -12.145 19.429 1.00 0.00 N ATOM 917 CA GLY A 62 7.520 -12.684 18.158 1.00 0.00 C ATOM 918 C GLY A 62 6.480 -11.804 17.492 1.00 0.00 C ATOM 919 O GLY A 62 5.386 -12.263 17.164 1.00 0.00 O ATOM 0 H GLY A 62 8.956 -11.893 19.463 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.376 -12.798 17.493 1.00 0.00 H new ATOM 0 HA3 GLY A 62 7.104 -13.679 18.315 1.00 0.00 H new ATOM 923 N HIS A 63 6.811 -10.532 17.306 1.00 0.00 N ATOM 924 CA HIS A 63 5.898 -9.591 16.660 1.00 0.00 C ATOM 925 C HIS A 63 6.526 -9.057 15.380 1.00 0.00 C ATOM 926 O HIS A 63 7.260 -8.069 15.405 1.00 0.00 O ATOM 927 CB HIS A 63 5.530 -8.435 17.602 1.00 0.00 C ATOM 928 CG HIS A 63 4.734 -8.867 18.797 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.747 -8.163 19.984 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.926 -9.945 18.935 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.954 -8.837 20.802 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.435 -9.920 20.212 1.00 0.00 N ATOM 0 H HIS A 63 7.702 -10.127 17.592 1.00 0.00 H new ATOM 0 HA HIS A 63 4.978 -10.121 16.413 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.444 -7.948 17.941 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.960 -7.691 17.046 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.710 -10.685 18.179 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.750 -8.548 21.822 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.797 -10.596 20.633 1.00 0.00 H new ATOM 940 N PRO A 64 6.253 -9.722 14.247 1.00 0.00 N ATOM 941 CA PRO A 64 6.917 -9.434 12.972 1.00 0.00 C ATOM 942 C PRO A 64 6.374 -8.202 12.257 1.00 0.00 C ATOM 943 O PRO A 64 7.002 -7.694 11.329 1.00 0.00 O ATOM 944 CB PRO A 64 6.622 -10.686 12.148 1.00 0.00 C ATOM 945 CG PRO A 64 5.310 -11.170 12.659 1.00 0.00 C ATOM 946 CD PRO A 64 5.277 -10.824 14.123 1.00 0.00 C ATOM 0 HA PRO A 64 7.975 -9.215 13.118 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.573 -10.458 11.083 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.400 -11.438 12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.486 -10.694 12.128 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.207 -12.245 12.510 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.281 -10.513 14.438 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.556 -11.677 14.742 1.00 0.00 H new ATOM 954 N ILE A 65 5.206 -7.729 12.664 1.00 0.00 N ATOM 955 CA ILE A 65 4.596 -6.593 11.995 1.00 0.00 C ATOM 956 C ILE A 65 4.707 -5.329 12.830 1.00 0.00 C ATOM 957 O ILE A 65 4.208 -5.249 13.960 1.00 0.00 O ATOM 958 CB ILE A 65 3.121 -6.851 11.628 1.00 0.00 C ATOM 959 CG1 ILE A 65 3.030 -8.021 10.647 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.495 -5.596 11.025 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.619 -8.349 10.217 1.00 0.00 C ATOM 0 H ILE A 65 4.669 -8.109 13.443 1.00 0.00 H new ATOM 0 HA ILE A 65 5.152 -6.452 11.068 1.00 0.00 H new ATOM 0 HB ILE A 65 2.569 -7.105 12.533 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.624 -7.789 9.763 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.474 -8.904 11.107 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.454 -5.795 10.771 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.543 -4.782 11.748 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.040 -5.314 10.124 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.636 -9.189 9.522 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.024 -8.614 11.091 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.177 -7.482 9.727 1.00 0.00 H new ATOM 973 N ILE A 66 5.368 -4.347 12.249 1.00 0.00 N ATOM 974 CA ILE A 66 5.561 -3.055 12.874 1.00 0.00 C ATOM 975 C ILE A 66 4.986 -1.958 11.991 1.00 0.00 C ATOM 976 O ILE A 66 4.650 -2.199 10.834 1.00 0.00 O ATOM 977 CB ILE A 66 7.055 -2.767 13.106 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.826 -2.978 11.799 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.604 -3.654 14.215 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.279 -2.575 11.865 1.00 0.00 C ATOM 0 H ILE A 66 5.789 -4.425 11.323 1.00 0.00 H new ATOM 0 HA ILE A 66 5.048 -3.073 13.836 1.00 0.00 H new ATOM 0 HB ILE A 66 7.177 -1.731 13.421 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.765 -4.030 11.520 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.339 -2.409 11.007 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.661 -3.436 14.365 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.059 -3.461 15.139 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.485 -4.701 13.936 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.751 -2.757 10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.352 -1.516 12.111 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.785 -3.161 12.632 1.00 0.00 H new ATOM 992 N GLU A 67 4.878 -0.767 12.544 1.00 0.00 N ATOM 993 CA GLU A 67 4.421 0.393 11.804 1.00 0.00 C ATOM 994 C GLU A 67 5.325 1.576 12.122 1.00 0.00 C ATOM 995 O GLU A 67 5.929 1.626 13.202 1.00 0.00 O ATOM 996 CB GLU A 67 2.964 0.703 12.165 1.00 0.00 C ATOM 997 CG GLU A 67 2.382 1.912 11.448 1.00 0.00 C ATOM 998 CD GLU A 67 0.897 2.068 11.691 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.480 2.088 12.867 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.136 2.147 10.710 1.00 0.00 O ATOM 0 H GLU A 67 5.105 -0.575 13.520 1.00 0.00 H new ATOM 0 HA GLU A 67 4.468 0.192 10.734 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.352 -0.169 11.936 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.896 0.866 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.898 2.812 11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.564 1.818 10.377 1.00 0.00 H new ATOM 1007 N GLY A 68 5.450 2.497 11.175 1.00 0.00 N ATOM 1008 CA GLY A 68 6.254 3.683 11.390 1.00 0.00 C ATOM 1009 C GLY A 68 5.653 4.589 12.445 1.00 0.00 C ATOM 1010 O GLY A 68 4.713 5.330 12.172 1.00 0.00 O ATOM 0 H GLY A 68 5.006 2.443 10.258 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.259 3.390 11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.350 4.231 10.453 1.00 0.00 H new ATOM 1014 N TYR A 69 6.204 4.527 13.648 1.00 0.00 N ATOM 1015 CA TYR A 69 5.677 5.280 14.777 1.00 0.00 C ATOM 1016 C TYR A 69 6.154 6.728 14.736 1.00 0.00 C ATOM 1017 O TYR A 69 5.453 7.646 15.175 1.00 0.00 O ATOM 1018 CB TYR A 69 6.114 4.614 16.083 1.00 0.00 C ATOM 1019 CG TYR A 69 5.505 5.228 17.320 1.00 0.00 C ATOM 1020 CD1 TYR A 69 4.135 5.186 17.530 1.00 0.00 C ATOM 1021 CD2 TYR A 69 6.298 5.848 18.275 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.572 5.744 18.657 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.742 6.409 19.406 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.380 6.353 19.592 1.00 0.00 C ATOM 1025 OH TYR A 69 3.819 6.918 20.713 1.00 0.00 O ATOM 0 H TYR A 69 7.022 3.959 13.869 1.00 0.00 H new ATOM 0 HA TYR A 69 4.589 5.284 14.719 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.849 3.557 16.046 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.200 4.668 16.160 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.499 4.709 16.799 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.367 5.892 18.131 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.503 5.704 18.807 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.372 6.889 20.141 1.00 0.00 H new ATOM 0 HH TYR A 69 4.371 6.710 21.495 1.00 0.00 H new ATOM 1035 N ASP A 70 7.350 6.925 14.204 1.00 0.00 N ATOM 1036 CA ASP A 70 7.928 8.260 14.092 1.00 0.00 C ATOM 1037 C ASP A 70 7.338 9.030 12.901 1.00 0.00 C ATOM 1038 O ASP A 70 6.872 10.155 13.078 1.00 0.00 O ATOM 1039 CB ASP A 70 9.459 8.179 14.006 1.00 0.00 C ATOM 1040 CG ASP A 70 10.115 9.526 13.782 1.00 0.00 C ATOM 1041 OD1 ASP A 70 10.351 10.250 14.769 1.00 0.00 O ATOM 1042 OD2 ASP A 70 10.437 9.842 12.620 1.00 0.00 O ATOM 0 H ASP A 70 7.942 6.178 13.842 1.00 0.00 H new ATOM 0 HA ASP A 70 7.669 8.817 14.993 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.846 7.742 14.927 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.736 7.507 13.193 1.00 0.00 H new ATOM 1047 N PRO A 71 7.321 8.452 11.675 1.00 0.00 N ATOM 1048 CA PRO A 71 6.723 9.110 10.513 1.00 0.00 C ATOM 1049 C PRO A 71 5.197 9.007 10.525 1.00 0.00 C ATOM 1050 O PRO A 71 4.644 7.908 10.499 1.00 0.00 O ATOM 1051 CB PRO A 71 7.296 8.344 9.308 1.00 0.00 C ATOM 1052 CG PRO A 71 8.274 7.363 9.872 1.00 0.00 C ATOM 1053 CD PRO A 71 7.870 7.144 11.298 1.00 0.00 C ATOM 0 HA PRO A 71 6.950 10.176 10.493 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.505 7.834 8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.784 9.024 8.609 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.253 6.427 9.313 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.292 7.748 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.129 6.350 11.393 1.00 0.00 H new ATOM 0 HD3 PRO A 71 8.719 6.865 11.922 1.00 0.00 H new ATOM 1061 N PRO A 72 4.496 10.153 10.551 1.00 0.00 N ATOM 1062 CA PRO A 72 3.028 10.200 10.613 1.00 0.00 C ATOM 1063 C PRO A 72 2.362 9.843 9.281 1.00 0.00 C ATOM 1064 O PRO A 72 1.325 10.404 8.923 1.00 0.00 O ATOM 1065 CB PRO A 72 2.725 11.665 10.977 1.00 0.00 C ATOM 1066 CG PRO A 72 4.045 12.297 11.278 1.00 0.00 C ATOM 1067 CD PRO A 72 5.072 11.500 10.532 1.00 0.00 C ATOM 0 HA PRO A 72 2.640 9.474 11.327 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.226 12.176 10.154 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.059 11.723 11.838 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.058 13.340 10.962 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.247 12.286 12.349 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.213 11.868 9.516 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.046 11.533 11.021 1.00 0.00 H new ATOM 1075 N GLU A 73 2.946 8.890 8.568 1.00 0.00 N ATOM 1076 CA GLU A 73 2.426 8.462 7.277 1.00 0.00 C ATOM 1077 C GLU A 73 1.437 7.316 7.449 1.00 0.00 C ATOM 1078 O GLU A 73 0.325 7.347 6.919 1.00 0.00 O ATOM 1079 CB GLU A 73 3.567 8.006 6.372 1.00 0.00 C ATOM 1080 CG GLU A 73 4.644 9.053 6.159 1.00 0.00 C ATOM 1081 CD GLU A 73 5.757 8.552 5.267 1.00 0.00 C ATOM 1082 OE1 GLU A 73 5.574 8.546 4.031 1.00 0.00 O ATOM 1083 OE2 GLU A 73 6.815 8.151 5.794 1.00 0.00 O ATOM 0 H GLU A 73 3.787 8.395 8.865 1.00 0.00 H new ATOM 0 HA GLU A 73 1.915 9.310 6.821 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.023 7.114 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.156 7.720 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.200 9.945 5.717 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.058 9.348 7.123 1.00 0.00 H new ATOM 1090 N GLY A 74 1.856 6.305 8.196 1.00 0.00 N ATOM 1091 CA GLY A 74 1.034 5.130 8.376 1.00 0.00 C ATOM 1092 C GLY A 74 1.410 4.020 7.416 1.00 0.00 C ATOM 1093 O GLY A 74 0.670 3.715 6.481 1.00 0.00 O ATOM 0 H GLY A 74 2.753 6.279 8.681 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.133 4.772 9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -0.013 5.395 8.231 1.00 0.00 H new ATOM 1097 N TRP A 75 2.574 3.433 7.627 1.00 0.00 N ATOM 1098 CA TRP A 75 3.012 2.304 6.824 1.00 0.00 C ATOM 1099 C TRP A 75 3.557 1.207 7.721 1.00 0.00 C ATOM 1100 O TRP A 75 4.144 1.485 8.770 1.00 0.00 O ATOM 1101 CB TRP A 75 4.054 2.726 5.776 1.00 0.00 C ATOM 1102 CG TRP A 75 5.186 3.557 6.311 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.277 4.917 6.285 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.393 3.088 6.931 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.459 5.326 6.850 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.161 4.222 7.256 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.896 1.821 7.245 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.404 4.126 7.878 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.129 1.728 7.862 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.870 2.874 8.173 1.00 0.00 C ATOM 0 H TRP A 75 3.235 3.720 8.349 1.00 0.00 H new ATOM 0 HA TRP A 75 2.149 1.918 6.282 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.467 1.830 5.314 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.550 3.287 4.989 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.526 5.578 5.878 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.765 6.294 6.951 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.331 0.931 7.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.979 5.008 8.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.527 0.755 8.108 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.830 2.768 8.656 1.00 0.00 H new ATOM 1121 N GLY A 76 3.353 -0.031 7.309 1.00 0.00 N ATOM 1122 CA GLY A 76 3.751 -1.154 8.120 1.00 0.00 C ATOM 1123 C GLY A 76 4.836 -1.982 7.475 1.00 0.00 C ATOM 1124 O GLY A 76 4.937 -2.049 6.248 1.00 0.00 O ATOM 0 H GLY A 76 2.916 -0.278 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.101 -0.793 9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.883 -1.785 8.311 1.00 0.00 H new ATOM 1128 N TRP A 77 5.638 -2.621 8.306 1.00 0.00 N ATOM 1129 CA TRP A 77 6.725 -3.464 7.843 1.00 0.00 C ATOM 1130 C TRP A 77 6.590 -4.851 8.454 1.00 0.00 C ATOM 1131 O TRP A 77 6.327 -4.991 9.648 1.00 0.00 O ATOM 1132 CB TRP A 77 8.075 -2.840 8.220 1.00 0.00 C ATOM 1133 CG TRP A 77 9.268 -3.645 7.789 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.934 -4.590 8.522 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.947 -3.567 6.530 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.977 -5.105 7.791 1.00 0.00 N ATOM 1137 CE2 TRP A 77 11.008 -4.492 6.568 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.760 -2.806 5.375 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.875 -4.675 5.496 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.622 -2.988 4.310 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.669 -3.915 4.377 1.00 0.00 C ATOM 0 H TRP A 77 5.554 -2.570 9.321 1.00 0.00 H new ATOM 0 HA TRP A 77 6.678 -3.549 6.757 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.141 -1.847 7.775 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.112 -2.707 9.301 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.677 -4.887 9.528 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.624 -5.827 8.108 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.956 -2.088 5.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.682 -5.391 5.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.486 -2.405 3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.327 -4.033 3.529 1.00 0.00 H new ATOM 1152 N CYS A 78 6.745 -5.870 7.633 1.00 0.00 N ATOM 1153 CA CYS A 78 6.667 -7.242 8.107 1.00 0.00 C ATOM 1154 C CYS A 78 8.055 -7.864 8.067 1.00 0.00 C ATOM 1155 O CYS A 78 8.530 -8.225 6.997 1.00 0.00 O ATOM 1156 CB CYS A 78 5.693 -8.046 7.237 1.00 0.00 C ATOM 1157 SG CYS A 78 5.158 -9.635 7.956 1.00 0.00 S ATOM 0 H CYS A 78 6.926 -5.777 6.634 1.00 0.00 H new ATOM 0 HA CYS A 78 6.298 -7.254 9.133 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.811 -7.435 7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.164 -8.240 6.273 1.00 0.00 H new ATOM 0 HG CYS A 78 3.893 -9.815 7.718 1.00 0.00 H new ATOM 1162 N TYR A 79 8.697 -7.972 9.233 1.00 0.00 N ATOM 1163 CA TYR A 79 10.089 -8.436 9.335 1.00 0.00 C ATOM 1164 C TYR A 79 10.349 -9.706 8.529 1.00 0.00 C ATOM 1165 O TYR A 79 11.256 -9.749 7.701 1.00 0.00 O ATOM 1166 CB TYR A 79 10.473 -8.687 10.797 1.00 0.00 C ATOM 1167 CG TYR A 79 10.809 -7.436 11.580 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.890 -6.641 11.218 1.00 0.00 C ATOM 1169 CD2 TYR A 79 10.063 -7.061 12.691 1.00 0.00 C ATOM 1170 CE1 TYR A 79 12.216 -5.509 11.939 1.00 0.00 C ATOM 1171 CE2 TYR A 79 10.382 -5.928 13.414 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.460 -5.157 13.035 1.00 0.00 C ATOM 1173 OH TYR A 79 11.783 -4.030 13.760 1.00 0.00 O ATOM 0 H TYR A 79 8.272 -7.742 10.131 1.00 0.00 H new ATOM 0 HA TYR A 79 10.704 -7.639 8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.650 -9.201 11.293 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.331 -9.359 10.824 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.485 -6.913 10.359 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.220 -7.665 12.994 1.00 0.00 H new ATOM 0 HE1 TYR A 79 13.060 -4.903 11.645 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.790 -5.648 14.272 1.00 0.00 H new ATOM 0 HH TYR A 79 12.133 -4.294 14.636 1.00 0.00 H new ATOM 1183 N VAL A 80 9.544 -10.732 8.768 1.00 0.00 N ATOM 1184 CA VAL A 80 9.745 -12.029 8.128 1.00 0.00 C ATOM 1185 C VAL A 80 9.476 -11.982 6.620 1.00 0.00 C ATOM 1186 O VAL A 80 9.965 -12.824 5.869 1.00 0.00 O ATOM 1187 CB VAL A 80 8.867 -13.118 8.781 1.00 0.00 C ATOM 1188 CG1 VAL A 80 9.330 -13.391 10.204 1.00 0.00 C ATOM 1189 CG2 VAL A 80 7.402 -12.711 8.774 1.00 0.00 C ATOM 0 H VAL A 80 8.745 -10.693 9.400 1.00 0.00 H new ATOM 0 HA VAL A 80 10.795 -12.283 8.274 1.00 0.00 H new ATOM 0 HB VAL A 80 8.971 -14.032 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.701 -14.161 10.650 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.365 -13.731 10.191 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.256 -12.476 10.792 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.804 -13.495 9.239 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.280 -11.782 9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.070 -12.564 7.746 1.00 0.00 H new ATOM 1199 N ASP A 81 8.715 -10.990 6.177 1.00 0.00 N ATOM 1200 CA ASP A 81 8.356 -10.877 4.762 1.00 0.00 C ATOM 1201 C ASP A 81 9.297 -9.923 4.043 1.00 0.00 C ATOM 1202 O ASP A 81 9.556 -10.079 2.852 1.00 0.00 O ATOM 1203 CB ASP A 81 6.922 -10.368 4.590 1.00 0.00 C ATOM 1204 CG ASP A 81 5.860 -11.319 5.106 1.00 0.00 C ATOM 1205 OD1 ASP A 81 6.182 -12.220 5.899 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.681 -11.138 4.745 1.00 0.00 O ATOM 0 H ASP A 81 8.334 -10.253 6.771 1.00 0.00 H new ATOM 0 HA ASP A 81 8.438 -11.875 4.331 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.822 -9.414 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.740 -10.177 3.532 1.00 0.00 H new ATOM 1211 N GLU A 82 9.776 -8.922 4.785 1.00 0.00 N ATOM 1212 CA GLU A 82 10.654 -7.877 4.255 1.00 0.00 C ATOM 1213 C GLU A 82 9.894 -6.964 3.301 1.00 0.00 C ATOM 1214 O GLU A 82 10.487 -6.296 2.456 1.00 0.00 O ATOM 1215 CB GLU A 82 11.877 -8.471 3.553 1.00 0.00 C ATOM 1216 CG GLU A 82 12.792 -9.257 4.475 1.00 0.00 C ATOM 1217 CD GLU A 82 14.020 -9.764 3.755 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.957 -10.865 3.171 1.00 0.00 O ATOM 1219 OE2 GLU A 82 15.046 -9.055 3.752 1.00 0.00 O ATOM 0 H GLU A 82 9.564 -8.813 5.777 1.00 0.00 H new ATOM 0 HA GLU A 82 11.005 -7.288 5.102 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.540 -9.124 2.748 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.447 -7.664 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.096 -8.625 5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.245 -10.100 4.897 1.00 0.00 H new ATOM 1226 N VAL A 83 8.578 -6.924 3.456 1.00 0.00 N ATOM 1227 CA VAL A 83 7.740 -6.078 2.620 1.00 0.00 C ATOM 1228 C VAL A 83 7.133 -4.940 3.431 1.00 0.00 C ATOM 1229 O VAL A 83 6.817 -5.102 4.619 1.00 0.00 O ATOM 1230 CB VAL A 83 6.607 -6.875 1.928 1.00 0.00 C ATOM 1231 CG1 VAL A 83 7.185 -7.950 1.021 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.658 -7.489 2.950 1.00 0.00 C ATOM 0 H VAL A 83 8.068 -7.467 4.153 1.00 0.00 H new ATOM 0 HA VAL A 83 8.390 -5.669 1.846 1.00 0.00 H new ATOM 0 HB VAL A 83 6.034 -6.177 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.373 -8.499 0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.807 -7.485 0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.790 -8.638 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.874 -8.042 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.212 -8.167 3.599 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.208 -6.698 3.550 1.00 0.00 H new ATOM 1242 N MET A 84 6.991 -3.790 2.789 1.00 0.00 N ATOM 1243 CA MET A 84 6.364 -2.631 3.407 1.00 0.00 C ATOM 1244 C MET A 84 4.993 -2.400 2.788 1.00 0.00 C ATOM 1245 O MET A 84 4.853 -2.367 1.565 1.00 0.00 O ATOM 1246 CB MET A 84 7.234 -1.385 3.226 1.00 0.00 C ATOM 1247 CG MET A 84 6.675 -0.147 3.912 1.00 0.00 C ATOM 1248 SD MET A 84 7.650 1.335 3.585 1.00 0.00 S ATOM 1249 CE MET A 84 9.245 0.849 4.242 1.00 0.00 C ATOM 0 H MET A 84 7.305 -3.634 1.831 1.00 0.00 H new ATOM 0 HA MET A 84 6.253 -2.822 4.474 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.231 -1.588 3.617 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.345 -1.181 2.161 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.651 0.017 3.577 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.635 -0.320 4.987 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.719 1.707 4.718 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.109 0.055 4.977 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.878 0.488 3.431 1.00 0.00 H new ATOM 1259 N PHE A 85 3.985 -2.238 3.624 1.00 0.00 N ATOM 1260 CA PHE A 85 2.624 -2.087 3.140 1.00 0.00 C ATOM 1261 C PHE A 85 1.937 -0.890 3.778 1.00 0.00 C ATOM 1262 O PHE A 85 2.373 -0.390 4.814 1.00 0.00 O ATOM 1263 CB PHE A 85 1.821 -3.368 3.383 1.00 0.00 C ATOM 1264 CG PHE A 85 1.927 -3.924 4.777 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.928 -4.828 5.099 1.00 0.00 C ATOM 1266 CD2 PHE A 85 1.023 -3.556 5.757 1.00 0.00 C ATOM 1267 CE1 PHE A 85 3.025 -5.350 6.373 1.00 0.00 C ATOM 1268 CE2 PHE A 85 1.115 -4.077 7.033 1.00 0.00 C ATOM 1269 CZ PHE A 85 2.118 -4.974 7.342 1.00 0.00 C ATOM 0 H PHE A 85 4.081 -2.207 4.639 1.00 0.00 H new ATOM 0 HA PHE A 85 2.670 -1.906 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.772 -3.169 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 85 2.155 -4.129 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.640 -5.127 4.344 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.237 -2.854 5.522 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.810 -6.052 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.402 -3.783 7.789 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.192 -5.380 8.340 1.00 0.00 H new ATOM 1279 N ASP A 86 0.866 -0.435 3.147 1.00 0.00 N ATOM 1280 CA ASP A 86 0.142 0.743 3.606 1.00 0.00 C ATOM 1281 C ASP A 86 -0.809 0.405 4.749 1.00 0.00 C ATOM 1282 O ASP A 86 -1.625 -0.514 4.646 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.637 1.370 2.449 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.585 2.457 2.912 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.111 3.541 3.306 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.812 2.220 2.900 1.00 0.00 O ATOM 0 H ASP A 86 0.476 -0.866 2.309 1.00 0.00 H new ATOM 0 HA ASP A 86 0.876 1.458 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.064 1.787 1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.203 0.594 1.933 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.696 1.158 5.832 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.563 0.990 6.989 1.00 0.00 C ATOM 1293 C LEU A 87 -2.180 2.323 7.384 1.00 0.00 C ATOM 1294 O LEU A 87 -2.691 2.467 8.486 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.777 0.432 8.178 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.414 -1.049 8.103 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.414 -1.445 9.316 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.672 -1.900 8.018 1.00 0.00 C ATOM 0 H LEU A 87 -0.004 1.900 5.934 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.351 0.287 6.718 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.143 1.007 8.282 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.360 0.598 9.084 1.00 0.00 H new ATOM 0 HG LEU A 87 0.178 -1.220 7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.668 -2.503 9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.329 -0.853 9.341 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.161 -1.263 10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.396 -2.953 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.287 -1.730 8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.236 -1.628 7.126 1.00 0.00 H new ATOM 1310 N SER A 88 -2.162 3.283 6.465 1.00 0.00 N ATOM 1311 CA SER A 88 -2.557 4.654 6.775 1.00 0.00 C ATOM 1312 C SER A 88 -4.020 4.739 7.229 1.00 0.00 C ATOM 1313 O SER A 88 -4.397 5.658 7.954 1.00 0.00 O ATOM 1314 CB SER A 88 -2.318 5.554 5.559 1.00 0.00 C ATOM 1315 OG SER A 88 -2.274 6.925 5.929 1.00 0.00 O ATOM 0 H SER A 88 -1.877 3.137 5.496 1.00 0.00 H new ATOM 0 HA SER A 88 -1.941 5.000 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.381 5.275 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.111 5.398 4.828 1.00 0.00 H new ATOM 0 HG SER A 88 -1.382 7.143 6.272 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.836 3.766 6.830 1.00 0.00 N ATOM 1322 CA ASP A 89 -6.246 3.745 7.225 1.00 0.00 C ATOM 1323 C ASP A 89 -6.407 3.209 8.642 1.00 0.00 C ATOM 1324 O ASP A 89 -7.482 3.294 9.233 1.00 0.00 O ATOM 1325 CB ASP A 89 -7.074 2.878 6.273 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.145 3.433 4.869 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -7.952 4.353 4.628 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -6.410 2.931 3.991 1.00 0.00 O ATOM 0 H ASP A 89 -4.550 2.986 6.238 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.606 4.773 7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.645 1.876 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.085 2.779 6.669 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.336 2.651 9.178 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.364 2.030 10.496 1.00 0.00 C ATOM 1335 C ARG A 90 -4.253 2.589 11.373 1.00 0.00 C ATOM 1336 O ARG A 90 -4.062 2.130 12.499 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.164 0.518 10.361 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.224 -0.189 9.535 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.772 -1.593 9.172 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.840 -2.387 8.572 1.00 0.00 N ATOM 1341 CZ ARG A 90 -6.661 -3.227 7.552 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -5.483 -3.295 6.936 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -7.669 -3.975 7.127 1.00 0.00 N ATOM 0 H ARG A 90 -4.427 2.614 8.718 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.330 2.243 10.953 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.188 0.333 9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.145 0.077 11.358 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.158 -0.235 10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.425 0.380 8.627 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.934 -1.533 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.408 -2.097 10.067 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.780 -2.294 8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.712 -2.703 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.352 -3.939 6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.580 -3.908 7.580 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.533 -4.618 6.347 1.00 0.00 H new ATOM 1357 N MET A 91 -3.544 3.583 10.846 1.00 0.00 N ATOM 1358 CA MET A 91 -2.273 4.041 11.413 1.00 0.00 C ATOM 1359 C MET A 91 -2.368 4.378 12.895 1.00 0.00 C ATOM 1360 O MET A 91 -3.370 4.918 13.367 1.00 0.00 O ATOM 1361 CB MET A 91 -1.745 5.258 10.646 1.00 0.00 C ATOM 1362 CG MET A 91 -2.631 6.489 10.750 1.00 0.00 C ATOM 1363 SD MET A 91 -1.872 7.951 10.015 1.00 0.00 S ATOM 1364 CE MET A 91 -0.411 8.111 11.040 1.00 0.00 C ATOM 0 H MET A 91 -3.832 4.096 10.013 1.00 0.00 H new ATOM 0 HA MET A 91 -1.579 3.207 11.311 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.751 5.506 11.019 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.634 4.991 9.595 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.582 6.291 10.256 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.851 6.687 11.799 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.098 9.155 11.067 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.637 7.773 12.051 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.393 7.502 10.626 1.00 0.00 H new ATOM 1374 N THR A 92 -1.314 4.035 13.618 1.00 0.00 N ATOM 1375 CA THR A 92 -1.197 4.373 15.023 1.00 0.00 C ATOM 1376 C THR A 92 -0.257 5.564 15.197 1.00 0.00 C ATOM 1377 O THR A 92 0.965 5.413 15.165 1.00 0.00 O ATOM 1378 CB THR A 92 -0.670 3.176 15.839 1.00 0.00 C ATOM 1379 OG1 THR A 92 -1.482 2.022 15.585 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.670 3.483 17.329 1.00 0.00 C ATOM 0 H THR A 92 -0.519 3.516 13.246 1.00 0.00 H new ATOM 0 HA THR A 92 -2.189 4.633 15.392 1.00 0.00 H new ATOM 0 HB THR A 92 0.357 2.980 15.530 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.986 1.213 15.829 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.293 2.620 17.878 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.031 4.344 17.523 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.686 3.705 17.655 1.00 0.00 H new ATOM 1388 N PRO A 93 -0.817 6.772 15.352 1.00 0.00 N ATOM 1389 CA PRO A 93 -0.029 7.989 15.540 1.00 0.00 C ATOM 1390 C PRO A 93 0.668 7.998 16.895 1.00 0.00 C ATOM 1391 O PRO A 93 0.244 7.303 17.823 1.00 0.00 O ATOM 1392 CB PRO A 93 -1.069 9.119 15.460 1.00 0.00 C ATOM 1393 CG PRO A 93 -2.306 8.485 14.920 1.00 0.00 C ATOM 1394 CD PRO A 93 -2.257 7.053 15.358 1.00 0.00 C ATOM 0 HA PRO A 93 0.764 8.085 14.798 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.249 9.557 16.442 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.725 9.924 14.810 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.198 8.980 15.303 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.341 8.560 13.833 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.694 6.915 16.347 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.801 6.400 14.675 1.00 0.00 H new ATOM 1402 N HIS A 94 1.731 8.780 17.016 1.00 0.00 N ATOM 1403 CA HIS A 94 2.455 8.854 18.275 1.00 0.00 C ATOM 1404 C HIS A 94 1.679 9.674 19.291 1.00 0.00 C ATOM 1405 O HIS A 94 1.129 10.731 18.973 1.00 0.00 O ATOM 1406 CB HIS A 94 3.894 9.376 18.107 1.00 0.00 C ATOM 1407 CG HIS A 94 4.084 10.452 17.082 1.00 0.00 C ATOM 1408 ND1 HIS A 94 4.597 10.200 15.827 1.00 0.00 N ATOM 1409 CD2 HIS A 94 3.877 11.787 17.140 1.00 0.00 C ATOM 1410 CE1 HIS A 94 4.699 11.332 15.159 1.00 0.00 C ATOM 1411 NE2 HIS A 94 4.269 12.311 15.931 1.00 0.00 N ATOM 0 H HIS A 94 2.107 9.364 16.269 1.00 0.00 H new ATOM 0 HA HIS A 94 2.546 7.835 18.651 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.238 9.754 19.070 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.537 8.535 17.846 1.00 0.00 H new ATOM 0 HD1 HIS A 94 4.857 9.280 15.471 1.00 0.00 H new ATOM 0 HD2 HIS A 94 3.478 12.338 17.979 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.071 11.439 14.151 1.00 0.00 H new ATOM 1420 N ASN A 95 1.632 9.163 20.513 1.00 0.00 N ATOM 1421 CA ASN A 95 0.795 9.724 21.570 1.00 0.00 C ATOM 1422 C ASN A 95 1.346 11.044 22.097 1.00 0.00 C ATOM 1423 O ASN A 95 0.638 11.801 22.761 1.00 0.00 O ATOM 1424 CB ASN A 95 0.646 8.711 22.713 1.00 0.00 C ATOM 1425 CG ASN A 95 1.961 8.385 23.407 1.00 0.00 C ATOM 1426 OD1 ASN A 95 3.041 8.532 22.835 1.00 0.00 O ATOM 1427 ND2 ASN A 95 1.876 7.911 24.638 1.00 0.00 N ATOM 0 H ASN A 95 2.172 8.348 20.802 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.185 9.933 21.141 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.056 9.104 23.448 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.214 7.791 22.319 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.723 7.654 25.145 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.964 7.803 25.081 1.00 0.00 H new ATOM 1434 N GLY A 96 2.603 11.321 21.800 1.00 0.00 N ATOM 1435 CA GLY A 96 3.200 12.565 22.224 1.00 0.00 C ATOM 1436 C GLY A 96 4.210 13.078 21.225 1.00 0.00 C ATOM 1437 O GLY A 96 4.629 12.336 20.334 1.00 0.00 O ATOM 0 H GLY A 96 3.221 10.705 21.272 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.419 13.312 22.366 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.685 12.424 23.190 1.00 0.00 H new ATOM 1441 N PRO A 97 4.604 14.353 21.339 1.00 0.00 N ATOM 1442 CA PRO A 97 5.626 14.943 20.475 1.00 0.00 C ATOM 1443 C PRO A 97 6.988 14.291 20.694 1.00 0.00 C ATOM 1444 O PRO A 97 7.579 14.403 21.769 1.00 0.00 O ATOM 1445 CB PRO A 97 5.650 16.418 20.889 1.00 0.00 C ATOM 1446 CG PRO A 97 5.069 16.447 22.260 1.00 0.00 C ATOM 1447 CD PRO A 97 4.079 15.320 22.318 1.00 0.00 C ATOM 0 HA PRO A 97 5.405 14.804 19.417 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.666 16.812 20.883 1.00 0.00 H new ATOM 0 HB3 PRO A 97 5.067 17.030 20.201 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.845 16.323 23.015 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.583 17.403 22.457 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.020 14.888 23.317 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.075 15.653 22.055 1.00 0.00 H new ATOM 1455 N ILE A 98 7.468 13.594 19.676 1.00 0.00 N ATOM 1456 CA ILE A 98 8.725 12.866 19.775 1.00 0.00 C ATOM 1457 C ILE A 98 9.913 13.802 19.574 1.00 0.00 C ATOM 1458 O ILE A 98 9.942 14.577 18.615 1.00 0.00 O ATOM 1459 CB ILE A 98 8.796 11.720 18.739 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.617 10.763 18.930 1.00 0.00 C ATOM 1461 CG2 ILE A 98 10.119 10.971 18.852 1.00 0.00 C ATOM 1462 CD1 ILE A 98 7.640 9.568 18.000 1.00 0.00 C ATOM 0 H ILE A 98 7.006 13.517 18.770 1.00 0.00 H new ATOM 0 HA ILE A 98 8.770 12.437 20.776 1.00 0.00 H new ATOM 0 HB ILE A 98 8.737 12.152 17.740 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.613 10.409 19.961 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.688 11.312 18.778 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.147 10.169 18.114 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.944 11.660 18.671 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.213 10.547 19.852 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.773 8.937 18.196 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.612 9.911 16.966 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.551 8.994 18.168 1.00 0.00 H new ATOM 1474 N PRO A 99 10.891 13.761 20.497 1.00 0.00 N ATOM 1475 CA PRO A 99 12.135 14.525 20.370 1.00 0.00 C ATOM 1476 C PRO A 99 12.839 14.250 19.045 1.00 0.00 C ATOM 1477 O PRO A 99 13.148 13.102 18.711 1.00 0.00 O ATOM 1478 CB PRO A 99 12.985 14.029 21.543 1.00 0.00 C ATOM 1479 CG PRO A 99 11.999 13.534 22.543 1.00 0.00 C ATOM 1480 CD PRO A 99 10.848 12.983 21.750 1.00 0.00 C ATOM 0 HA PRO A 99 11.959 15.601 20.387 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.665 13.236 21.232 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.598 14.831 21.955 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.439 12.765 23.178 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.671 14.340 23.199 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.963 11.915 21.564 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.901 13.115 22.272 1.00 0.00 H new ATOM 1488 N ARG A 100 13.091 15.310 18.297 1.00 0.00 N ATOM 1489 CA ARG A 100 13.690 15.194 16.981 1.00 0.00 C ATOM 1490 C ARG A 100 15.205 15.272 17.097 1.00 0.00 C ATOM 1491 O ARG A 100 15.773 16.357 17.204 1.00 0.00 O ATOM 1492 CB ARG A 100 13.173 16.316 16.074 1.00 0.00 C ATOM 1493 CG ARG A 100 13.518 16.152 14.600 1.00 0.00 C ATOM 1494 CD ARG A 100 12.619 15.129 13.920 1.00 0.00 C ATOM 1495 NE ARG A 100 13.231 13.803 13.846 1.00 0.00 N ATOM 1496 CZ ARG A 100 12.586 12.667 14.105 1.00 0.00 C ATOM 1497 NH1 ARG A 100 11.332 12.690 14.537 1.00 0.00 N ATOM 1498 NH2 ARG A 100 13.199 11.503 13.935 1.00 0.00 N ATOM 0 H ARG A 100 12.888 16.268 18.583 1.00 0.00 H new ATOM 0 HA ARG A 100 13.417 14.233 16.545 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.089 16.376 16.175 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.579 17.265 16.425 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.422 17.113 14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.559 15.843 14.502 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.677 15.060 14.464 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.381 15.472 12.913 1.00 0.00 H new ATOM 0 HE ARG A 100 14.214 13.744 13.579 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.856 13.582 14.673 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.844 11.816 14.733 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.164 11.478 13.606 1.00 0.00 H new ATOM 0 HH22 ARG A 100 12.705 10.633 14.133 1.00 0.00 H new ATOM 1512 N TYR A 101 15.856 14.120 17.108 1.00 0.00 N ATOM 1513 CA TYR A 101 17.307 14.079 17.176 1.00 0.00 C ATOM 1514 C TYR A 101 17.899 14.283 15.793 1.00 0.00 C ATOM 1515 O TYR A 101 18.801 15.097 15.606 1.00 0.00 O ATOM 1516 CB TYR A 101 17.792 12.753 17.766 1.00 0.00 C ATOM 1517 CG TYR A 101 17.450 12.576 19.228 1.00 0.00 C ATOM 1518 CD1 TYR A 101 18.219 13.179 20.215 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.367 11.803 19.621 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.917 13.015 21.554 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.059 11.636 20.957 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.835 12.243 21.919 1.00 0.00 C ATOM 1523 OH TYR A 101 16.531 12.073 23.251 1.00 0.00 O ATOM 0 H TYR A 101 15.405 13.206 17.071 1.00 0.00 H new ATOM 0 HA TYR A 101 17.641 14.884 17.831 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.355 11.932 17.198 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.873 12.685 17.644 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.066 13.786 19.932 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.755 11.324 18.871 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.525 13.489 22.310 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.212 11.031 21.246 1.00 0.00 H new ATOM 0 HH TYR A 101 15.739 11.502 23.335 1.00 0.00 H new ATOM 1533 N VAL A 102 17.367 13.557 14.824 1.00 0.00 N ATOM 1534 CA VAL A 102 17.837 13.645 13.454 1.00 0.00 C ATOM 1535 C VAL A 102 16.706 14.090 12.537 1.00 0.00 C ATOM 1536 O VAL A 102 16.926 15.013 11.727 1.00 0.00 O ATOM 1537 CB VAL A 102 18.429 12.306 12.955 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.722 11.988 13.691 1.00 0.00 C ATOM 1539 CG2 VAL A 102 17.431 11.167 13.122 1.00 0.00 C ATOM 1540 OXT VAL A 102 15.588 13.549 12.669 1.00 0.00 O ATOM 0 H VAL A 102 16.603 12.895 14.964 1.00 0.00 H new ATOM 0 HA VAL A 102 18.636 14.386 13.432 1.00 0.00 H new ATOM 0 HB VAL A 102 18.647 12.411 11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 102 20.125 11.043 13.327 1.00 0.00 H new ATOM 0 HG12 VAL A 102 20.446 12.783 13.514 1.00 0.00 H new ATOM 0 HG13 VAL A 102 19.523 11.910 14.760 1.00 0.00 H new ATOM 0 HG21 VAL A 102 17.875 10.239 12.763 1.00 0.00 H new ATOM 0 HG22 VAL A 102 17.172 11.062 14.176 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.531 11.385 12.547 1.00 0.00 H new