USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 635 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: A1082 ASN : amide:sc= 1.14 K(o=3,f=-9.5!) USER MOD Set 1.2: B1592 LYS NZ :NH3+ -170:sc= 1.85 (180deg=0.329) USER MOD Single : A1073 LYS NZ :NH3+ 178:sc= 0.771 (180deg=0.668) USER MOD Single : A1074 THR OG1 : rot 133:sc= 1.62 USER MOD Single : A1076 TYR OH : rot -26:sc= -1.19 USER MOD Single : A1078 CYS SG : rot -48:sc= -1.71! USER MOD Single : A1079 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1087 THR OG1 : rot 53:sc= 0.946 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A1108 HIS : no HD1:sc= -0.0267 X(o=-0.027,f=-0.061) USER MOD Single : A1112 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.1) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot 147:sc= 0.472 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1128 SER OG : rot 180:sc= 0 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0 USER MOD Single : B1583 MET CE :methyl -149:sc= -2.74! (180deg=-4.48!) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.21) USER MOD Single : B1587 SER OG : rot 107:sc= 1.26 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -170:sc= -0.0106 (180deg=-0.119) USER MOD Single : B1593 LYS NZ :NH3+ -166:sc= -0.0458 (180deg=-0.3) USER MOD Single : B1596 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 2.145 -1.920 -0.917 1.00 0.00 N ATOM 2 CA VAL A1069 1.893 -0.673 -0.163 1.00 0.00 C ATOM 3 C VAL A1069 3.024 0.316 -0.382 1.00 0.00 C ATOM 4 O VAL A1069 4.090 -0.050 -0.876 1.00 0.00 O ATOM 5 CB VAL A1069 1.757 -0.941 1.354 1.00 0.00 C ATOM 6 CG1 VAL A1069 0.569 -1.844 1.638 1.00 0.00 C ATOM 7 CG2 VAL A1069 3.039 -1.539 1.921 1.00 0.00 C ATOM 0 HA VAL A1069 0.955 -0.259 -0.533 1.00 0.00 H new ATOM 0 HB VAL A1069 1.584 0.014 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A1069 0.493 -2.019 2.711 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.344 -1.366 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A1069 0.704 -2.796 1.124 1.00 0.00 H new ATOM 0 HG21 VAL A1069 2.916 -1.717 2.989 1.00 0.00 H new ATOM 0 HG22 VAL A1069 3.254 -2.482 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A1069 3.865 -0.846 1.762 1.00 0.00 H new ATOM 19 N ARG A1070 2.790 1.568 -0.022 1.00 0.00 N ATOM 20 CA ARG A1070 3.815 2.592 -0.122 1.00 0.00 C ATOM 21 C ARG A1070 4.369 2.873 1.266 1.00 0.00 C ATOM 22 O ARG A1070 3.660 3.356 2.135 1.00 0.00 O ATOM 23 CB ARG A1070 3.229 3.859 -0.739 1.00 0.00 C ATOM 24 CG ARG A1070 4.272 4.787 -1.333 1.00 0.00 C ATOM 25 CD ARG A1070 3.614 5.902 -2.118 1.00 0.00 C ATOM 26 NE ARG A1070 2.631 5.384 -3.070 1.00 0.00 N ATOM 27 CZ ARG A1070 2.439 5.880 -4.290 1.00 0.00 C ATOM 28 NH1 ARG A1070 3.192 6.884 -4.725 1.00 0.00 N ATOM 29 NH2 ARG A1070 1.501 5.367 -5.078 1.00 0.00 N ATOM 0 H ARG A1070 1.897 1.899 0.343 1.00 0.00 H new ATOM 0 HA ARG A1070 4.624 2.246 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.519 3.579 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.668 4.398 0.024 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.885 5.209 -0.537 1.00 0.00 H new ATOM 0 HG3 ARG A1070 4.939 4.222 -1.984 1.00 0.00 H new ATOM 0 HD2 ARG A1070 3.126 6.593 -1.430 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.376 6.469 -2.653 1.00 0.00 H new ATOM 0 HE ARG A1070 2.056 4.593 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.918 7.275 -4.124 1.00 0.00 H new ATOM 0 HH12 ARG A1070 3.045 7.264 -5.660 1.00 0.00 H new ATOM 0 HH21 ARG A1070 0.926 4.591 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A1070 1.355 5.749 -6.013 1.00 0.00 H new ATOM 43 N ARG A1071 5.627 2.562 1.476 1.00 0.00 N ATOM 44 CA ARG A1071 6.187 2.574 2.820 1.00 0.00 C ATOM 45 C ARG A1071 7.095 3.781 3.026 1.00 0.00 C ATOM 46 O ARG A1071 8.001 4.027 2.230 1.00 0.00 O ATOM 47 CB ARG A1071 6.959 1.279 3.043 1.00 0.00 C ATOM 48 CG ARG A1071 7.276 0.960 4.490 1.00 0.00 C ATOM 49 CD ARG A1071 7.926 -0.403 4.570 1.00 0.00 C ATOM 50 NE ARG A1071 8.173 -0.852 5.936 1.00 0.00 N ATOM 51 CZ ARG A1071 9.235 -1.572 6.297 1.00 0.00 C ATOM 52 NH1 ARG A1071 10.168 -1.885 5.405 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.353 -1.994 7.550 1.00 0.00 N ATOM 0 H ARG A1071 6.284 2.298 0.742 1.00 0.00 H new ATOM 0 HA ARG A1071 5.376 2.649 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.383 0.454 2.623 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.894 1.331 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.941 1.718 4.904 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.364 0.976 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.289 -1.130 4.067 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.871 -0.378 4.028 1.00 0.00 H new ATOM 0 HE ARG A1071 7.495 -0.601 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A1071 10.074 -1.574 4.438 1.00 0.00 H new ATOM 0 HH12 ARG A1071 10.979 -2.436 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A1071 8.632 -1.767 8.235 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.165 -2.545 7.828 1.00 0.00 H new ATOM 67 N VAL A1072 6.841 4.541 4.080 1.00 0.00 N ATOM 68 CA VAL A1072 7.674 5.691 4.401 1.00 0.00 C ATOM 69 C VAL A1072 8.190 5.592 5.834 1.00 0.00 C ATOM 70 O VAL A1072 7.588 4.922 6.674 1.00 0.00 O ATOM 71 CB VAL A1072 6.916 7.029 4.222 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.400 7.175 2.801 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.772 7.147 5.215 1.00 0.00 C ATOM 0 H VAL A1072 6.068 4.384 4.726 1.00 0.00 H new ATOM 0 HA VAL A1072 8.512 5.680 3.703 1.00 0.00 H new ATOM 0 HB VAL A1072 7.621 7.837 4.417 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.871 8.123 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.239 7.152 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.719 6.354 2.575 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.258 8.096 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.071 6.326 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.166 7.103 6.230 1.00 0.00 H new ATOM 83 N LYS A1073 9.303 6.253 6.104 1.00 0.00 N ATOM 84 CA LYS A1073 9.882 6.253 7.438 1.00 0.00 C ATOM 85 C LYS A1073 10.022 7.691 7.909 1.00 0.00 C ATOM 86 O LYS A1073 10.491 8.552 7.161 1.00 0.00 O ATOM 87 CB LYS A1073 11.246 5.541 7.437 1.00 0.00 C ATOM 88 CG LYS A1073 11.669 4.976 8.794 1.00 0.00 C ATOM 89 CD LYS A1073 12.177 6.048 9.752 1.00 0.00 C ATOM 90 CE LYS A1073 13.539 6.585 9.333 1.00 0.00 C ATOM 91 NZ LYS A1073 14.047 7.619 10.274 1.00 0.00 N ATOM 0 H LYS A1073 9.825 6.797 5.417 1.00 0.00 H new ATOM 0 HA LYS A1073 9.230 5.710 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.216 4.727 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.007 6.243 7.097 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.821 4.463 9.248 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.450 4.231 8.644 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.460 6.868 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.244 5.634 10.758 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.252 5.762 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.468 7.010 8.332 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.991 7.932 9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.398 8.432 10.280 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.108 7.217 11.231 1.00 0.00 H new ATOM 105 N THR A1074 9.604 7.949 9.132 1.00 0.00 N ATOM 106 CA THR A1074 9.629 9.294 9.670 1.00 0.00 C ATOM 107 C THR A1074 11.058 9.722 9.974 1.00 0.00 C ATOM 108 O THR A1074 11.751 9.099 10.786 1.00 0.00 O ATOM 109 CB THR A1074 8.770 9.394 10.941 1.00 0.00 C ATOM 110 OG1 THR A1074 9.301 8.543 11.949 1.00 0.00 O ATOM 111 CG2 THR A1074 7.333 8.987 10.660 1.00 0.00 C ATOM 0 H THR A1074 9.242 7.243 9.773 1.00 0.00 H new ATOM 0 HA THR A1074 9.212 9.963 8.917 1.00 0.00 H new ATOM 0 HB THR A1074 8.785 10.430 11.278 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.357 9.034 12.795 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.747 9.067 11.575 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.911 9.644 9.900 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.310 7.958 10.303 1.00 0.00 H new ATOM 119 N ILE A1075 11.504 10.774 9.304 1.00 0.00 N ATOM 120 CA ILE A1075 12.858 11.268 9.481 1.00 0.00 C ATOM 121 C ILE A1075 12.855 12.445 10.433 1.00 0.00 C ATOM 122 O ILE A1075 13.903 12.970 10.816 1.00 0.00 O ATOM 123 CB ILE A1075 13.494 11.682 8.144 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.576 12.619 7.357 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.830 10.454 7.320 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.211 13.164 6.095 1.00 0.00 C ATOM 0 H ILE A1075 10.946 11.301 8.632 1.00 0.00 H new ATOM 0 HA ILE A1075 13.456 10.457 9.897 1.00 0.00 H new ATOM 0 HB ILE A1075 14.414 12.224 8.363 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.663 12.085 7.094 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.285 13.452 7.997 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.280 10.761 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.533 9.828 7.870 1.00 0.00 H new ATOM 0 HG23 ILE A1075 12.919 9.889 7.121 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.505 13.821 5.587 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.108 13.726 6.353 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.477 12.338 5.436 1.00 0.00 H new ATOM 138 N TYR A1076 11.653 12.845 10.793 1.00 0.00 N ATOM 139 CA TYR A1076 11.430 13.901 11.754 1.00 0.00 C ATOM 140 C TYR A1076 10.286 13.521 12.670 1.00 0.00 C ATOM 141 O TYR A1076 9.661 12.474 12.498 1.00 0.00 O ATOM 142 CB TYR A1076 11.054 15.202 11.052 1.00 0.00 C ATOM 143 CG TYR A1076 12.117 15.779 10.157 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.101 16.591 10.678 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.107 15.548 8.789 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.057 17.156 9.856 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.048 16.114 7.962 1.00 0.00 C ATOM 148 CZ TYR A1076 14.021 16.915 8.495 1.00 0.00 C ATOM 149 OH TYR A1076 14.955 17.493 7.667 1.00 0.00 O ATOM 0 H TYR A1076 10.794 12.440 10.421 1.00 0.00 H new ATOM 0 HA TYR A1076 12.351 14.041 12.319 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.156 15.029 10.458 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.798 15.943 11.809 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.125 16.788 11.740 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.345 14.911 8.365 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.830 17.784 10.275 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.020 15.928 6.899 1.00 0.00 H new ATOM 0 HH TYR A1076 15.286 18.321 8.075 1.00 0.00 H new ATOM 159 N ASP A1077 10.008 14.388 13.624 1.00 0.00 N ATOM 160 CA ASP A1077 8.842 14.228 14.473 1.00 0.00 C ATOM 161 C ASP A1077 7.864 15.358 14.196 1.00 0.00 C ATOM 162 O ASP A1077 8.242 16.527 14.145 1.00 0.00 O ATOM 163 CB ASP A1077 9.222 14.179 15.963 1.00 0.00 C ATOM 164 CG ASP A1077 9.826 15.469 16.487 1.00 0.00 C ATOM 165 OD1 ASP A1077 11.018 15.724 16.212 1.00 0.00 O ATOM 166 OD2 ASP A1077 9.117 16.219 17.193 1.00 0.00 O ATOM 0 H ASP A1077 10.574 15.211 13.831 1.00 0.00 H new ATOM 0 HA ASP A1077 8.370 13.274 14.239 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.333 13.942 16.547 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.932 13.367 16.120 1.00 0.00 H new ATOM 171 N CYS A1078 6.616 15.002 13.980 1.00 0.00 N ATOM 172 CA CYS A1078 5.591 15.976 13.656 1.00 0.00 C ATOM 173 C CYS A1078 4.338 15.678 14.433 1.00 0.00 C ATOM 174 O CYS A1078 3.974 14.519 14.625 1.00 0.00 O ATOM 175 CB CYS A1078 5.260 15.960 12.166 1.00 0.00 C ATOM 176 SG CYS A1078 4.063 17.225 11.668 1.00 0.00 S ATOM 0 H CYS A1078 6.283 14.039 14.023 1.00 0.00 H new ATOM 0 HA CYS A1078 5.975 16.961 13.920 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.180 16.100 11.598 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.868 14.978 11.901 1.00 0.00 H new ATOM 0 HG CYS A1078 3.047 17.205 12.479 1.00 0.00 H new ATOM 182 N GLN A1079 3.672 16.716 14.877 1.00 0.00 N ATOM 183 CA GLN A1079 2.436 16.528 15.602 1.00 0.00 C ATOM 184 C GLN A1079 1.242 16.976 14.790 1.00 0.00 C ATOM 185 O GLN A1079 1.389 17.519 13.692 1.00 0.00 O ATOM 186 CB GLN A1079 2.453 17.247 16.943 1.00 0.00 C ATOM 187 CG GLN A1079 3.529 16.736 17.871 1.00 0.00 C ATOM 188 CD GLN A1079 3.569 17.478 19.194 1.00 0.00 C ATOM 189 OE1 GLN A1079 4.255 18.491 19.335 1.00 0.00 O ATOM 190 NE2 GLN A1079 2.836 16.977 20.177 1.00 0.00 N ATOM 0 H GLN A1079 3.958 17.687 14.753 1.00 0.00 H new ATOM 0 HA GLN A1079 2.345 15.458 15.789 1.00 0.00 H new ATOM 0 HB2 GLN A1079 2.601 18.314 16.776 1.00 0.00 H new ATOM 0 HB3 GLN A1079 1.481 17.132 17.423 1.00 0.00 H new ATOM 0 HG2 GLN A1079 3.365 15.675 18.060 1.00 0.00 H new ATOM 0 HG3 GLN A1079 4.498 16.826 17.380 1.00 0.00 H new ATOM 0 HE21 GLN A1079 2.281 16.136 20.021 1.00 0.00 H new ATOM 0 HE22 GLN A1079 2.827 17.433 21.090 1.00 0.00 H new ATOM 199 N ALA A1080 0.075 16.699 15.343 1.00 0.00 N ATOM 200 CA ALA A1080 -1.205 17.027 14.734 1.00 0.00 C ATOM 201 C ALA A1080 -1.261 18.434 14.141 1.00 0.00 C ATOM 202 O ALA A1080 -0.820 19.408 14.753 1.00 0.00 O ATOM 203 CB ALA A1080 -2.322 16.860 15.754 1.00 0.00 C ATOM 0 H ALA A1080 -0.013 16.231 16.245 1.00 0.00 H new ATOM 0 HA ALA A1080 -1.334 16.333 13.904 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.277 17.107 15.291 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -2.344 15.828 16.103 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.145 17.525 16.599 1.00 0.00 H new ATOM 209 N ASP A1081 -1.803 18.518 12.932 1.00 0.00 N ATOM 210 CA ASP A1081 -2.060 19.798 12.283 1.00 0.00 C ATOM 211 C ASP A1081 -3.529 20.177 12.448 1.00 0.00 C ATOM 212 O ASP A1081 -3.874 21.351 12.597 1.00 0.00 O ATOM 213 CB ASP A1081 -1.693 19.721 10.795 1.00 0.00 C ATOM 214 CG ASP A1081 -2.084 20.963 10.008 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.928 22.087 10.530 1.00 0.00 O ATOM 216 OD2 ASP A1081 -2.554 20.816 8.862 1.00 0.00 O ATOM 0 H ASP A1081 -2.075 17.707 12.377 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.443 20.564 12.752 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.618 19.565 10.702 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.181 18.852 10.353 1.00 0.00 H new ATOM 221 N ASN A1082 -4.388 19.164 12.448 1.00 0.00 N ATOM 222 CA ASN A1082 -5.830 19.372 12.554 1.00 0.00 C ATOM 223 C ASN A1082 -6.426 18.334 13.490 1.00 0.00 C ATOM 224 O ASN A1082 -5.694 17.622 14.174 1.00 0.00 O ATOM 225 CB ASN A1082 -6.515 19.258 11.181 1.00 0.00 C ATOM 226 CG ASN A1082 -5.859 20.107 10.112 1.00 0.00 C ATOM 227 OD1 ASN A1082 -6.197 21.274 9.928 1.00 0.00 O ATOM 228 ND2 ASN A1082 -4.917 19.517 9.393 1.00 0.00 N ATOM 0 H ASN A1082 -4.110 18.185 12.375 1.00 0.00 H new ATOM 0 HA ASN A1082 -5.997 20.376 12.943 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.506 18.215 10.864 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -7.560 19.552 11.278 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -4.441 20.034 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -4.667 18.546 9.579 1.00 0.00 H new ATOM 235 N ASP A1083 -7.745 18.248 13.521 1.00 0.00 N ATOM 236 CA ASP A1083 -8.422 17.166 14.229 1.00 0.00 C ATOM 237 C ASP A1083 -8.236 15.859 13.467 1.00 0.00 C ATOM 238 O ASP A1083 -8.373 14.767 14.016 1.00 0.00 O ATOM 239 CB ASP A1083 -9.915 17.468 14.363 1.00 0.00 C ATOM 240 CG ASP A1083 -10.209 18.624 15.295 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.859 19.775 14.955 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.817 18.388 16.362 1.00 0.00 O ATOM 0 H ASP A1083 -8.371 18.912 13.066 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.989 17.076 15.225 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -10.324 17.691 13.378 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -10.428 16.577 14.726 1.00 0.00 H new ATOM 247 N ASP A1084 -7.917 15.997 12.191 1.00 0.00 N ATOM 248 CA ASP A1084 -7.732 14.867 11.301 1.00 0.00 C ATOM 249 C ASP A1084 -6.294 14.829 10.811 1.00 0.00 C ATOM 250 O ASP A1084 -5.934 15.522 9.863 1.00 0.00 O ATOM 251 CB ASP A1084 -8.708 14.988 10.126 1.00 0.00 C ATOM 252 CG ASP A1084 -8.395 14.052 8.977 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.530 12.825 9.148 1.00 0.00 O ATOM 254 OD2 ASP A1084 -8.046 14.553 7.886 1.00 0.00 O ATOM 0 H ASP A1084 -7.779 16.903 11.742 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.935 13.937 11.832 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.718 14.787 10.482 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -8.697 16.015 9.760 1.00 0.00 H new ATOM 259 N GLU A1085 -5.458 14.073 11.505 1.00 0.00 N ATOM 260 CA GLU A1085 -4.052 13.968 11.147 1.00 0.00 C ATOM 261 C GLU A1085 -3.450 12.642 11.595 1.00 0.00 C ATOM 262 O GLU A1085 -4.164 11.704 11.950 1.00 0.00 O ATOM 263 CB GLU A1085 -3.287 15.115 11.791 1.00 0.00 C ATOM 264 CG GLU A1085 -3.736 15.407 13.210 1.00 0.00 C ATOM 265 CD GLU A1085 -3.578 14.225 14.160 1.00 0.00 C ATOM 266 OE1 GLU A1085 -2.438 13.940 14.582 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.596 13.575 14.481 1.00 0.00 O ATOM 0 H GLU A1085 -5.729 13.523 12.320 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.975 14.018 10.061 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.223 14.878 11.794 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -3.411 16.012 11.185 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -3.164 16.251 13.596 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.782 15.712 13.195 1.00 0.00 H new ATOM 274 N LEU A1086 -2.127 12.581 11.553 1.00 0.00 N ATOM 275 CA LEU A1086 -1.372 11.483 12.123 1.00 0.00 C ATOM 276 C LEU A1086 -0.099 12.029 12.766 1.00 0.00 C ATOM 277 O LEU A1086 0.830 12.444 12.073 1.00 0.00 O ATOM 278 CB LEU A1086 -1.044 10.446 11.042 1.00 0.00 C ATOM 279 CG LEU A1086 -0.283 9.205 11.519 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.823 7.967 10.839 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.200 9.326 11.223 1.00 0.00 C ATOM 0 H LEU A1086 -1.547 13.299 11.119 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.968 10.987 12.889 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.977 10.122 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.456 10.933 10.264 1.00 0.00 H new ATOM 0 HG LEU A1086 -0.422 9.125 12.597 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.274 7.092 11.187 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.880 7.851 11.080 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -0.705 8.064 9.760 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.715 8.431 11.572 1.00 0.00 H new ATOM 0 HD22 LEU A1086 1.349 9.434 10.149 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.603 10.200 11.735 1.00 0.00 H new ATOM 293 N THR A1087 -0.086 12.061 14.091 1.00 0.00 N ATOM 294 CA THR A1087 1.075 12.512 14.839 1.00 0.00 C ATOM 295 C THR A1087 2.140 11.421 14.873 1.00 0.00 C ATOM 296 O THR A1087 1.835 10.252 15.118 1.00 0.00 O ATOM 297 CB THR A1087 0.677 12.913 16.280 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.191 14.055 16.250 1.00 0.00 O ATOM 299 CG2 THR A1087 1.899 13.217 17.139 1.00 0.00 C ATOM 0 H THR A1087 -0.874 11.777 14.673 1.00 0.00 H new ATOM 0 HA THR A1087 1.484 13.389 14.338 1.00 0.00 H new ATOM 0 HB THR A1087 0.155 12.067 16.726 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.948 13.875 15.655 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.578 13.494 18.143 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.535 12.333 17.193 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.459 14.041 16.696 1.00 0.00 H new ATOM 307 N PHE A1088 3.388 11.803 14.638 1.00 0.00 N ATOM 308 CA PHE A1088 4.467 10.819 14.558 1.00 0.00 C ATOM 309 C PHE A1088 5.786 11.387 15.061 1.00 0.00 C ATOM 310 O PHE A1088 5.968 12.599 15.142 1.00 0.00 O ATOM 311 CB PHE A1088 4.629 10.283 13.121 1.00 0.00 C ATOM 312 CG PHE A1088 4.998 11.315 12.081 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.265 11.874 12.049 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.079 11.710 11.119 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.606 12.804 11.090 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.416 12.640 10.159 1.00 0.00 C ATOM 317 CZ PHE A1088 5.679 13.188 10.145 1.00 0.00 C ATOM 0 H PHE A1088 3.679 12.771 14.501 1.00 0.00 H new ATOM 0 HA PHE A1088 4.189 9.989 15.207 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.394 9.507 13.125 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.695 9.808 12.821 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.996 11.577 12.786 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.087 11.283 11.123 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.598 13.231 11.079 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.689 12.939 9.418 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.943 13.918 9.394 1.00 0.00 H new ATOM 327 N ILE A1089 6.698 10.492 15.397 1.00 0.00 N ATOM 328 CA ILE A1089 8.023 10.871 15.849 1.00 0.00 C ATOM 329 C ILE A1089 9.082 10.170 15.012 1.00 0.00 C ATOM 330 O ILE A1089 8.793 9.158 14.371 1.00 0.00 O ATOM 331 CB ILE A1089 8.229 10.563 17.355 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.528 9.258 17.763 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.730 11.721 18.207 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.181 8.007 17.228 1.00 0.00 C ATOM 0 H ILE A1089 6.541 9.485 15.364 1.00 0.00 H new ATOM 0 HA ILE A1089 8.122 11.949 15.721 1.00 0.00 H new ATOM 0 HB ILE A1089 9.298 10.435 17.525 1.00 0.00 H new ATOM 0 HG12 ILE A1089 7.498 9.201 18.851 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.495 9.291 17.417 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.882 11.489 19.261 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.282 12.625 17.951 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.668 11.879 18.020 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.623 7.133 17.563 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.187 8.037 16.138 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.205 7.946 17.595 1.00 0.00 H new ATOM 346 N GLU A1090 10.289 10.724 15.006 1.00 0.00 N ATOM 347 CA GLU A1090 11.389 10.176 14.222 1.00 0.00 C ATOM 348 C GLU A1090 11.641 8.724 14.613 1.00 0.00 C ATOM 349 O GLU A1090 11.849 8.414 15.788 1.00 0.00 O ATOM 350 CB GLU A1090 12.656 11.012 14.435 1.00 0.00 C ATOM 351 CG GLU A1090 13.745 10.768 13.397 1.00 0.00 C ATOM 352 CD GLU A1090 14.463 9.443 13.566 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.247 9.299 14.525 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.260 8.538 12.730 1.00 0.00 O ATOM 0 H GLU A1090 10.531 11.559 15.540 1.00 0.00 H new ATOM 0 HA GLU A1090 11.121 10.211 13.166 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.388 12.068 14.423 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.058 10.797 15.425 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.301 10.806 12.402 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.475 11.576 13.452 1.00 0.00 H new ATOM 361 N GLY A1091 11.610 7.838 13.630 1.00 0.00 N ATOM 362 CA GLY A1091 11.862 6.437 13.896 1.00 0.00 C ATOM 363 C GLY A1091 10.644 5.576 13.653 1.00 0.00 C ATOM 364 O GLY A1091 10.720 4.348 13.734 1.00 0.00 O ATOM 0 H GLY A1091 11.415 8.063 12.654 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.680 6.091 13.264 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.187 6.319 14.930 1.00 0.00 H new ATOM 368 N GLU A1092 9.520 6.215 13.373 1.00 0.00 N ATOM 369 CA GLU A1092 8.301 5.493 13.040 1.00 0.00 C ATOM 370 C GLU A1092 8.260 5.115 11.566 1.00 0.00 C ATOM 371 O GLU A1092 8.952 5.712 10.736 1.00 0.00 O ATOM 372 CB GLU A1092 7.061 6.313 13.404 1.00 0.00 C ATOM 373 CG GLU A1092 6.581 6.065 14.817 1.00 0.00 C ATOM 374 CD GLU A1092 6.556 4.590 15.153 1.00 0.00 C ATOM 375 OE1 GLU A1092 5.969 3.808 14.384 1.00 0.00 O ATOM 376 OE2 GLU A1092 7.159 4.201 16.171 1.00 0.00 O ATOM 0 H GLU A1092 9.425 7.231 13.369 1.00 0.00 H new ATOM 0 HA GLU A1092 8.300 4.575 13.628 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.285 7.373 13.283 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.258 6.075 12.707 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.232 6.586 15.519 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.582 6.482 14.940 1.00 0.00 H new ATOM 383 N VAL A1093 7.442 4.123 11.249 1.00 0.00 N ATOM 384 CA VAL A1093 7.281 3.663 9.879 1.00 0.00 C ATOM 385 C VAL A1093 5.810 3.696 9.515 1.00 0.00 C ATOM 386 O VAL A1093 4.973 3.143 10.230 1.00 0.00 O ATOM 387 CB VAL A1093 7.827 2.234 9.669 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.654 1.796 8.216 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.288 2.154 10.080 1.00 0.00 C ATOM 0 H VAL A1093 6.875 3.617 11.929 1.00 0.00 H new ATOM 0 HA VAL A1093 7.856 4.330 9.236 1.00 0.00 H new ATOM 0 HB VAL A1093 7.254 1.555 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.046 0.786 8.091 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.596 1.810 7.955 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.197 2.479 7.563 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.655 1.139 9.925 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.874 2.848 9.477 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.385 2.417 11.133 1.00 0.00 H new ATOM 399 N ILE A1094 5.491 4.349 8.417 1.00 0.00 N ATOM 400 CA ILE A1094 4.107 4.536 8.039 1.00 0.00 C ATOM 401 C ILE A1094 3.796 3.812 6.739 1.00 0.00 C ATOM 402 O ILE A1094 4.516 3.942 5.745 1.00 0.00 O ATOM 403 CB ILE A1094 3.757 6.028 7.881 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.268 6.833 9.081 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.250 6.199 7.737 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.050 8.325 8.955 1.00 0.00 C ATOM 0 H ILE A1094 6.169 4.757 7.773 1.00 0.00 H new ATOM 0 HA ILE A1094 3.501 4.117 8.843 1.00 0.00 H new ATOM 0 HB ILE A1094 4.244 6.404 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.770 6.478 9.983 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.333 6.641 9.208 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.013 7.257 7.626 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.905 5.655 6.858 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.753 5.807 8.624 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.438 8.826 9.842 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.571 8.696 8.072 1.00 0.00 H new ATOM 0 HD13 ILE A1094 2.984 8.530 8.859 1.00 0.00 H new ATOM 418 N ILE A1095 2.731 3.040 6.768 1.00 0.00 N ATOM 419 CA ILE A1095 2.227 2.385 5.580 1.00 0.00 C ATOM 420 C ILE A1095 1.227 3.317 4.900 1.00 0.00 C ATOM 421 O ILE A1095 0.093 3.468 5.362 1.00 0.00 O ATOM 422 CB ILE A1095 1.544 1.040 5.920 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.524 0.107 6.642 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.001 0.376 4.661 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.779 -0.203 5.851 1.00 0.00 C ATOM 0 H ILE A1095 2.192 2.849 7.612 1.00 0.00 H new ATOM 0 HA ILE A1095 3.063 2.169 4.915 1.00 0.00 H new ATOM 0 HB ILE A1095 0.705 1.242 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.808 0.561 7.591 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.014 -0.828 6.875 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.525 -0.569 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.269 1.032 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.820 0.188 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.419 -0.868 6.430 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.508 -0.687 4.913 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.314 0.723 5.640 1.00 0.00 H new ATOM 437 N VAL A1096 1.673 3.972 3.840 1.00 0.00 N ATOM 438 CA VAL A1096 0.845 4.921 3.109 1.00 0.00 C ATOM 439 C VAL A1096 -0.248 4.192 2.337 1.00 0.00 C ATOM 440 O VAL A1096 0.035 3.323 1.509 1.00 0.00 O ATOM 441 CB VAL A1096 1.689 5.767 2.124 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.825 6.783 1.390 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.826 6.466 2.852 1.00 0.00 C ATOM 0 H VAL A1096 2.614 3.863 3.463 1.00 0.00 H new ATOM 0 HA VAL A1096 0.392 5.589 3.842 1.00 0.00 H new ATOM 0 HB VAL A1096 2.115 5.088 1.385 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.446 7.362 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.051 6.262 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.359 7.453 2.112 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.406 7.055 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.417 7.124 3.619 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.471 5.722 3.318 1.00 0.00 H new ATOM 453 N THR A1097 -1.487 4.539 2.628 1.00 0.00 N ATOM 454 CA THR A1097 -2.625 3.931 1.969 1.00 0.00 C ATOM 455 C THR A1097 -3.229 4.874 0.937 1.00 0.00 C ATOM 456 O THR A1097 -3.958 4.445 0.040 1.00 0.00 O ATOM 457 CB THR A1097 -3.703 3.532 2.993 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.880 4.582 3.956 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.324 2.245 3.700 1.00 0.00 C ATOM 0 H THR A1097 -1.731 5.245 3.323 1.00 0.00 H new ATOM 0 HA THR A1097 -2.267 3.035 1.461 1.00 0.00 H new ATOM 0 HB THR A1097 -4.639 3.371 2.459 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.568 4.320 4.602 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.100 1.983 4.419 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.222 1.444 2.968 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.377 2.382 4.222 1.00 0.00 H new ATOM 467 N GLY A1098 -2.925 6.160 1.066 1.00 0.00 N ATOM 468 CA GLY A1098 -3.464 7.142 0.151 1.00 0.00 C ATOM 469 C GLY A1098 -2.715 8.459 0.192 1.00 0.00 C ATOM 470 O GLY A1098 -1.724 8.603 0.906 1.00 0.00 O ATOM 0 H GLY A1098 -2.314 6.538 1.790 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.432 6.743 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.512 7.318 0.391 1.00 0.00 H new ATOM 474 N GLU A1099 -3.202 9.420 -0.573 1.00 0.00 N ATOM 475 CA GLU A1099 -2.608 10.740 -0.661 1.00 0.00 C ATOM 476 C GLU A1099 -3.721 11.770 -0.706 1.00 0.00 C ATOM 477 O GLU A1099 -4.805 11.490 -1.218 1.00 0.00 O ATOM 478 CB GLU A1099 -1.756 10.861 -1.929 1.00 0.00 C ATOM 479 CG GLU A1099 -0.556 9.930 -1.975 1.00 0.00 C ATOM 480 CD GLU A1099 0.182 10.014 -3.295 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.274 11.125 -3.857 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.656 8.971 -3.792 1.00 0.00 O ATOM 0 H GLU A1099 -4.030 9.303 -1.157 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.969 10.906 0.206 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.387 10.662 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.405 11.889 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A1099 0.127 10.179 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.887 8.905 -1.810 1.00 0.00 H new ATOM 489 N GLU A1100 -3.474 12.946 -0.164 1.00 0.00 N ATOM 490 CA GLU A1100 -4.464 14.007 -0.229 1.00 0.00 C ATOM 491 C GLU A1100 -3.854 15.236 -0.872 1.00 0.00 C ATOM 492 O GLU A1100 -4.499 15.930 -1.654 1.00 0.00 O ATOM 493 CB GLU A1100 -5.013 14.339 1.154 1.00 0.00 C ATOM 494 CG GLU A1100 -6.274 15.184 1.095 1.00 0.00 C ATOM 495 CD GLU A1100 -6.822 15.508 2.462 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.575 14.688 3.020 1.00 0.00 O ATOM 497 OE2 GLU A1100 -6.497 16.586 2.990 1.00 0.00 O ATOM 0 H GLU A1100 -2.610 13.191 0.320 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.300 13.662 -0.838 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.225 13.413 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.251 14.869 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -6.060 16.112 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.034 14.656 0.519 1.00 0.00 H new ATOM 504 N ASP A1101 -2.600 15.490 -0.547 1.00 0.00 N ATOM 505 CA ASP A1101 -1.846 16.560 -1.171 1.00 0.00 C ATOM 506 C ASP A1101 -0.433 16.069 -1.442 1.00 0.00 C ATOM 507 O ASP A1101 -0.089 14.950 -1.062 1.00 0.00 O ATOM 508 CB ASP A1101 -1.819 17.805 -0.273 1.00 0.00 C ATOM 509 CG ASP A1101 -1.094 18.975 -0.908 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.674 19.635 -1.792 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.075 19.217 -0.544 1.00 0.00 O ATOM 0 H ASP A1101 -2.078 14.963 0.153 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.325 16.840 -2.109 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.842 18.101 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -1.337 17.555 0.672 1.00 0.00 H new ATOM 516 N GLN A1102 0.370 16.882 -2.099 1.00 0.00 N ATOM 517 CA GLN A1102 1.762 16.551 -2.346 1.00 0.00 C ATOM 518 C GLN A1102 2.482 16.316 -1.033 1.00 0.00 C ATOM 519 O GLN A1102 3.163 15.309 -0.850 1.00 0.00 O ATOM 520 CB GLN A1102 2.449 17.690 -3.102 1.00 0.00 C ATOM 521 CG GLN A1102 3.969 17.594 -3.103 1.00 0.00 C ATOM 522 CD GLN A1102 4.631 18.843 -3.650 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.071 19.538 -4.496 1.00 0.00 O ATOM 524 NE2 GLN A1102 5.826 19.133 -3.167 1.00 0.00 N ATOM 0 H GLN A1102 0.080 17.785 -2.475 1.00 0.00 H new ATOM 0 HA GLN A1102 1.800 15.643 -2.948 1.00 0.00 H new ATOM 0 HB2 GLN A1102 2.093 17.697 -4.132 1.00 0.00 H new ATOM 0 HB3 GLN A1102 2.154 18.640 -2.657 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.319 17.417 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A1102 4.275 16.734 -3.699 1.00 0.00 H new ATOM 0 HE21 GLN A1102 6.253 18.528 -2.466 1.00 0.00 H new ATOM 0 HE22 GLN A1102 6.321 19.962 -3.495 1.00 0.00 H new ATOM 533 N GLU A1103 2.288 17.243 -0.111 1.00 0.00 N ATOM 534 CA GLU A1103 3.046 17.249 1.121 1.00 0.00 C ATOM 535 C GLU A1103 2.259 16.613 2.261 1.00 0.00 C ATOM 536 O GLU A1103 2.690 16.628 3.412 1.00 0.00 O ATOM 537 CB GLU A1103 3.429 18.682 1.475 1.00 0.00 C ATOM 538 CG GLU A1103 4.565 18.754 2.467 1.00 0.00 C ATOM 539 CD GLU A1103 4.906 20.167 2.873 1.00 0.00 C ATOM 540 OE1 GLU A1103 5.059 21.027 1.983 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.042 20.415 4.089 1.00 0.00 O ATOM 0 H GLU A1103 1.610 18.001 -0.195 1.00 0.00 H new ATOM 0 HA GLU A1103 3.949 16.656 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.712 19.213 0.566 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.560 19.195 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.301 18.180 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.448 18.283 2.035 1.00 0.00 H new ATOM 548 N TRP A1104 1.110 16.047 1.942 1.00 0.00 N ATOM 549 CA TRP A1104 0.268 15.430 2.960 1.00 0.00 C ATOM 550 C TRP A1104 -0.342 14.134 2.451 1.00 0.00 C ATOM 551 O TRP A1104 -1.272 14.135 1.632 1.00 0.00 O ATOM 552 CB TRP A1104 -0.824 16.395 3.429 1.00 0.00 C ATOM 553 CG TRP A1104 -0.289 17.532 4.252 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.185 18.727 3.791 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.163 17.580 5.680 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.599 19.507 4.836 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.396 18.831 6.004 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.466 16.694 6.717 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.654 19.215 7.313 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.207 17.081 8.021 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.349 18.334 8.306 1.00 0.00 C ATOM 0 H TRP A1104 0.737 16.000 0.994 1.00 0.00 H new ATOM 0 HA TRP A1104 0.900 15.193 3.816 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.344 16.797 2.559 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.560 15.845 4.015 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.227 19.015 2.751 1.00 0.00 H new ATOM 0 HE1 TRP A1104 0.996 20.443 4.755 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.894 15.725 6.505 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.083 20.181 7.537 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.438 16.405 8.831 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.540 18.607 9.333 1.00 0.00 H new ATOM 572 N TRP A1105 0.199 13.029 2.937 1.00 0.00 N ATOM 573 CA TRP A1105 -0.252 11.709 2.530 1.00 0.00 C ATOM 574 C TRP A1105 -1.044 11.052 3.643 1.00 0.00 C ATOM 575 O TRP A1105 -1.048 11.522 4.781 1.00 0.00 O ATOM 576 CB TRP A1105 0.933 10.824 2.132 1.00 0.00 C ATOM 577 CG TRP A1105 1.590 11.256 0.858 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.296 12.369 0.134 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.640 10.588 0.156 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.097 12.445 -0.975 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.937 11.359 -0.987 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.359 9.413 0.381 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.927 10.991 -1.896 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.339 9.050 -0.519 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.616 9.835 -1.648 1.00 0.00 C ATOM 0 H TRP A1105 0.957 13.021 3.619 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.899 11.827 1.661 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.670 10.833 2.935 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.590 9.795 2.026 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.538 13.092 0.396 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.073 13.186 -1.676 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.152 8.799 1.245 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.143 11.596 -2.764 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.904 8.145 -0.351 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.388 9.521 -2.335 1.00 0.00 H new ATOM 596 N ILE A1106 -1.709 9.965 3.305 1.00 0.00 N ATOM 597 CA ILE A1106 -2.584 9.274 4.231 1.00 0.00 C ATOM 598 C ILE A1106 -2.094 7.858 4.456 1.00 0.00 C ATOM 599 O ILE A1106 -1.735 7.159 3.509 1.00 0.00 O ATOM 600 CB ILE A1106 -4.018 9.215 3.682 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.502 10.617 3.328 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.953 8.564 4.692 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.738 10.616 2.467 1.00 0.00 C ATOM 0 H ILE A1106 -1.658 9.536 2.381 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.577 9.825 5.172 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.020 8.607 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.707 11.167 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.705 11.150 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.963 8.532 4.284 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.613 7.550 4.901 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.952 9.144 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.031 11.643 2.250 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.531 10.093 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.548 10.111 2.993 1.00 0.00 H new ATOM 615 N GLY A1107 -2.075 7.435 5.702 1.00 0.00 N ATOM 616 CA GLY A1107 -1.649 6.093 6.008 1.00 0.00 C ATOM 617 C GLY A1107 -1.762 5.776 7.474 1.00 0.00 C ATOM 618 O GLY A1107 -2.467 6.464 8.213 1.00 0.00 O ATOM 0 H GLY A1107 -2.347 7.996 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.251 5.385 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.615 5.961 5.689 1.00 0.00 H new ATOM 622 N HIS A1108 -1.056 4.743 7.897 1.00 0.00 N ATOM 623 CA HIS A1108 -1.095 4.299 9.282 1.00 0.00 C ATOM 624 C HIS A1108 0.246 3.718 9.694 1.00 0.00 C ATOM 625 O HIS A1108 0.975 3.173 8.865 1.00 0.00 O ATOM 626 CB HIS A1108 -2.210 3.261 9.492 1.00 0.00 C ATOM 627 CG HIS A1108 -2.160 2.086 8.561 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.043 1.926 7.516 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.344 1.000 8.526 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.776 0.804 6.880 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.751 0.224 7.472 1.00 0.00 N ATOM 0 H HIS A1108 -0.443 4.191 7.297 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.308 5.165 9.908 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.159 2.896 10.518 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.174 3.756 9.378 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.528 0.788 9.201 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.307 0.424 6.020 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.328 -0.661 7.191 1.00 0.00 H new ATOM 640 N ILE A1109 0.565 3.851 10.974 1.00 0.00 N ATOM 641 CA ILE A1109 1.802 3.317 11.523 1.00 0.00 C ATOM 642 C ILE A1109 1.854 1.800 11.346 1.00 0.00 C ATOM 643 O ILE A1109 0.866 1.099 11.570 1.00 0.00 O ATOM 644 CB ILE A1109 1.946 3.677 13.020 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.052 5.194 13.202 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.146 2.982 13.638 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.145 5.840 12.377 1.00 0.00 C ATOM 0 H ILE A1109 -0.023 4.329 11.657 1.00 0.00 H new ATOM 0 HA ILE A1109 2.632 3.768 10.978 1.00 0.00 H new ATOM 0 HB ILE A1109 1.052 3.327 13.536 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.097 5.648 12.940 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.230 5.411 14.255 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.222 3.254 14.691 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.026 1.902 13.550 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.053 3.290 13.118 1.00 0.00 H new ATOM 0 HD11 ILE A1109 3.154 6.914 12.563 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.110 5.415 12.655 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.959 5.656 11.319 1.00 0.00 H new ATOM 659 N GLU A1110 3.018 1.315 10.929 1.00 0.00 N ATOM 660 CA GLU A1110 3.229 -0.100 10.653 1.00 0.00 C ATOM 661 C GLU A1110 3.027 -0.940 11.910 1.00 0.00 C ATOM 662 O GLU A1110 2.335 -1.955 11.882 1.00 0.00 O ATOM 663 CB GLU A1110 4.639 -0.315 10.102 1.00 0.00 C ATOM 664 CG GLU A1110 4.926 -1.748 9.702 1.00 0.00 C ATOM 665 CD GLU A1110 6.355 -1.943 9.250 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.674 -1.568 8.105 1.00 0.00 O ATOM 667 OE2 GLU A1110 7.166 -2.473 10.036 1.00 0.00 O ATOM 0 H GLU A1110 3.843 1.894 10.773 1.00 0.00 H new ATOM 0 HA GLU A1110 2.496 -0.418 9.911 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.783 0.330 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.364 -0.005 10.854 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.721 -2.406 10.546 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.250 -2.041 8.899 1.00 0.00 H new ATOM 674 N GLY A1111 3.627 -0.508 13.011 1.00 0.00 N ATOM 675 CA GLY A1111 3.503 -1.242 14.255 1.00 0.00 C ATOM 676 C GLY A1111 2.324 -0.782 15.093 1.00 0.00 C ATOM 677 O GLY A1111 2.169 -1.198 16.241 1.00 0.00 O ATOM 0 H GLY A1111 4.197 0.336 13.065 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.395 -2.304 14.036 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.420 -1.127 14.832 1.00 0.00 H new ATOM 681 N GLN A1112 1.486 0.067 14.515 1.00 0.00 N ATOM 682 CA GLN A1112 0.328 0.604 15.219 1.00 0.00 C ATOM 683 C GLN A1112 -0.677 1.164 14.215 1.00 0.00 C ATOM 684 O GLN A1112 -0.755 2.374 14.007 1.00 0.00 O ATOM 685 CB GLN A1112 0.773 1.692 16.205 1.00 0.00 C ATOM 686 CG GLN A1112 -0.332 2.186 17.126 1.00 0.00 C ATOM 687 CD GLN A1112 -0.975 1.071 17.928 1.00 0.00 C ATOM 688 OE1 GLN A1112 -0.350 0.050 18.217 1.00 0.00 O ATOM 689 NE2 GLN A1112 -2.220 1.270 18.315 1.00 0.00 N ATOM 0 H GLN A1112 1.586 0.400 13.556 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.154 -0.196 15.782 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.591 1.304 16.812 1.00 0.00 H new ATOM 0 HB3 GLN A1112 1.167 2.538 15.642 1.00 0.00 H new ATOM 0 HG2 GLN A1112 0.077 2.929 17.810 1.00 0.00 H new ATOM 0 HG3 GLN A1112 -1.096 2.687 16.532 1.00 0.00 H new ATOM 0 HE21 GLN A1112 -2.704 2.130 18.055 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -2.699 0.564 18.874 1.00 0.00 H new ATOM 698 N PRO A1113 -1.462 0.281 13.581 1.00 0.00 N ATOM 699 CA PRO A1113 -2.398 0.659 12.513 1.00 0.00 C ATOM 700 C PRO A1113 -3.542 1.533 13.010 1.00 0.00 C ATOM 701 O PRO A1113 -4.227 2.180 12.218 1.00 0.00 O ATOM 702 CB PRO A1113 -2.940 -0.683 12.003 1.00 0.00 C ATOM 703 CG PRO A1113 -2.021 -1.717 12.555 1.00 0.00 C ATOM 704 CD PRO A1113 -1.502 -1.161 13.848 1.00 0.00 C ATOM 0 HA PRO A1113 -1.901 1.253 11.746 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.963 -0.847 12.340 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -2.955 -0.712 10.913 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -2.546 -2.658 12.718 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -1.204 -1.923 11.863 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.158 -1.401 14.685 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.516 -1.556 14.093 1.00 0.00 H new ATOM 712 N GLU A1114 -3.745 1.550 14.321 1.00 0.00 N ATOM 713 CA GLU A1114 -4.792 2.366 14.919 1.00 0.00 C ATOM 714 C GLU A1114 -4.399 3.840 14.852 1.00 0.00 C ATOM 715 O GLU A1114 -5.256 4.727 14.820 1.00 0.00 O ATOM 716 CB GLU A1114 -5.040 1.923 16.363 1.00 0.00 C ATOM 717 CG GLU A1114 -6.310 2.486 16.984 1.00 0.00 C ATOM 718 CD GLU A1114 -6.661 1.811 18.295 1.00 0.00 C ATOM 719 OE1 GLU A1114 -7.077 0.634 18.269 1.00 0.00 O ATOM 720 OE2 GLU A1114 -6.534 2.450 19.359 1.00 0.00 O ATOM 0 H GLU A1114 -3.198 1.008 14.990 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.720 2.235 14.362 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.087 0.834 16.393 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -4.188 2.222 16.973 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -6.186 3.556 17.151 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -7.137 2.367 16.284 1.00 0.00 H new ATOM 727 N ARG A1115 -3.095 4.092 14.822 1.00 0.00 N ATOM 728 CA ARG A1115 -2.588 5.424 14.548 1.00 0.00 C ATOM 729 C ARG A1115 -2.570 5.643 13.052 1.00 0.00 C ATOM 730 O ARG A1115 -1.622 5.262 12.362 1.00 0.00 O ATOM 731 CB ARG A1115 -1.194 5.636 15.136 1.00 0.00 C ATOM 732 CG ARG A1115 -1.202 5.823 16.638 1.00 0.00 C ATOM 733 CD ARG A1115 0.110 6.400 17.135 1.00 0.00 C ATOM 734 NE ARG A1115 0.026 6.787 18.539 1.00 0.00 N ATOM 735 CZ ARG A1115 -0.259 8.022 18.954 1.00 0.00 C ATOM 736 NH1 ARG A1115 -0.482 8.994 18.077 1.00 0.00 N ATOM 737 NH2 ARG A1115 -0.324 8.280 20.250 1.00 0.00 N ATOM 0 H ARG A1115 -2.373 3.390 14.984 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.247 6.150 15.024 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.567 4.780 14.886 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.739 6.510 14.670 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.021 6.485 16.919 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.386 4.865 17.124 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.904 5.665 17.006 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.378 7.268 16.533 1.00 0.00 H new ATOM 0 HE ARG A1115 0.195 6.071 19.245 1.00 0.00 H new ATOM 0 HH11 ARG A1115 -0.436 8.799 17.077 1.00 0.00 H new ATOM 0 HH12 ARG A1115 -0.699 9.936 18.404 1.00 0.00 H new ATOM 0 HH21 ARG A1115 -0.156 7.536 20.927 1.00 0.00 H new ATOM 0 HH22 ARG A1115 -0.542 9.223 20.572 1.00 0.00 H new ATOM 751 N LYS A1116 -3.643 6.230 12.560 1.00 0.00 N ATOM 752 CA LYS A1116 -3.823 6.439 11.140 1.00 0.00 C ATOM 753 C LYS A1116 -4.396 7.823 10.884 1.00 0.00 C ATOM 754 O LYS A1116 -5.152 8.352 11.699 1.00 0.00 O ATOM 755 CB LYS A1116 -4.742 5.353 10.569 1.00 0.00 C ATOM 756 CG LYS A1116 -6.121 5.303 11.212 1.00 0.00 C ATOM 757 CD LYS A1116 -6.830 3.995 10.899 1.00 0.00 C ATOM 758 CE LYS A1116 -8.286 4.026 11.336 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.426 4.111 12.813 1.00 0.00 N ATOM 0 H LYS A1116 -4.413 6.575 13.134 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.857 6.373 10.640 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -4.858 5.517 9.498 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.260 4.383 10.692 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -6.025 5.418 12.292 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.722 6.139 10.854 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.776 3.799 9.828 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -6.317 3.174 11.400 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -8.784 4.879 10.876 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.791 3.130 10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.435 4.130 13.066 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -7.974 3.284 13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -7.967 4.979 13.156 1.00 0.00 H new ATOM 773 N GLY A1117 -4.021 8.408 9.759 1.00 0.00 N ATOM 774 CA GLY A1117 -4.459 9.744 9.436 1.00 0.00 C ATOM 775 C GLY A1117 -3.609 10.375 8.357 1.00 0.00 C ATOM 776 O GLY A1117 -3.096 9.679 7.479 1.00 0.00 O ATOM 0 H GLY A1117 -3.416 7.976 9.060 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.498 9.715 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.425 10.363 10.332 1.00 0.00 H new ATOM 780 N VAL A1118 -3.445 11.688 8.437 1.00 0.00 N ATOM 781 CA VAL A1118 -2.735 12.440 7.414 1.00 0.00 C ATOM 782 C VAL A1118 -1.430 12.997 7.969 1.00 0.00 C ATOM 783 O VAL A1118 -1.422 13.639 9.022 1.00 0.00 O ATOM 784 CB VAL A1118 -3.593 13.605 6.890 1.00 0.00 C ATOM 785 CG1 VAL A1118 -3.150 14.012 5.495 1.00 0.00 C ATOM 786 CG2 VAL A1118 -5.067 13.231 6.916 1.00 0.00 C ATOM 0 H VAL A1118 -3.797 12.257 9.206 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.521 11.756 6.593 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.453 14.464 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.769 14.837 5.143 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -2.107 14.327 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -3.256 13.164 4.818 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.661 14.065 6.542 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -5.232 12.357 6.285 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.366 13.002 7.939 1.00 0.00 H new ATOM 796 N PHE A1119 -0.341 12.757 7.261 1.00 0.00 N ATOM 797 CA PHE A1119 0.984 13.161 7.727 1.00 0.00 C ATOM 798 C PHE A1119 1.735 13.964 6.663 1.00 0.00 C ATOM 799 O PHE A1119 1.571 13.730 5.463 1.00 0.00 O ATOM 800 CB PHE A1119 1.790 11.924 8.136 1.00 0.00 C ATOM 801 CG PHE A1119 1.778 10.812 7.121 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.779 9.853 7.147 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.766 10.719 6.150 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.762 8.825 6.229 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.751 9.691 5.226 1.00 0.00 C ATOM 806 CZ PHE A1119 1.747 8.743 5.268 1.00 0.00 C ATOM 0 H PHE A1119 -0.343 12.283 6.358 1.00 0.00 H new ATOM 0 HA PHE A1119 0.856 13.809 8.594 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.822 12.222 8.319 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.396 11.544 9.079 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.003 9.911 7.896 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.554 11.457 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.023 8.084 6.263 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.523 9.629 4.473 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.734 7.938 4.548 1.00 0.00 H new ATOM 816 N PRO A1120 2.561 14.936 7.101 1.00 0.00 N ATOM 817 CA PRO A1120 3.347 15.784 6.205 1.00 0.00 C ATOM 818 C PRO A1120 4.596 15.083 5.682 1.00 0.00 C ATOM 819 O PRO A1120 5.424 14.593 6.456 1.00 0.00 O ATOM 820 CB PRO A1120 3.739 16.963 7.090 1.00 0.00 C ATOM 821 CG PRO A1120 3.794 16.404 8.466 1.00 0.00 C ATOM 822 CD PRO A1120 2.785 15.284 8.517 1.00 0.00 C ATOM 0 HA PRO A1120 2.783 16.063 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.702 17.377 6.793 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.010 17.770 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.794 16.035 8.695 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.560 17.170 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.164 14.432 9.082 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.861 15.602 9.000 1.00 0.00 H new ATOM 830 N VAL A1121 4.733 15.068 4.364 1.00 0.00 N ATOM 831 CA VAL A1121 5.862 14.428 3.704 1.00 0.00 C ATOM 832 C VAL A1121 7.173 15.158 4.035 1.00 0.00 C ATOM 833 O VAL A1121 8.255 14.593 3.923 1.00 0.00 O ATOM 834 CB VAL A1121 5.640 14.370 2.173 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.821 13.726 1.463 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.355 13.614 1.848 1.00 0.00 C ATOM 0 H VAL A1121 4.066 15.498 3.723 1.00 0.00 H new ATOM 0 HA VAL A1121 5.938 13.407 4.077 1.00 0.00 H new ATOM 0 HB VAL A1121 5.550 15.395 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.631 13.702 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.723 14.305 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.956 12.709 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.215 13.583 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.423 12.597 2.235 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.508 14.121 2.310 1.00 0.00 H new ATOM 846 N SER A1122 7.061 16.407 4.482 1.00 0.00 N ATOM 847 CA SER A1122 8.230 17.189 4.885 1.00 0.00 C ATOM 848 C SER A1122 8.977 16.553 6.055 1.00 0.00 C ATOM 849 O SER A1122 10.176 16.764 6.219 1.00 0.00 O ATOM 850 CB SER A1122 7.822 18.615 5.249 1.00 0.00 C ATOM 851 OG SER A1122 7.446 19.346 4.096 1.00 0.00 O ATOM 0 H SER A1122 6.173 16.900 4.575 1.00 0.00 H new ATOM 0 HA SER A1122 8.906 17.209 4.030 1.00 0.00 H new ATOM 0 HB2 SER A1122 6.992 18.590 5.955 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.650 19.118 5.748 1.00 0.00 H new ATOM 0 HG SER A1122 6.734 19.979 4.327 1.00 0.00 H new ATOM 857 N PHE A1123 8.273 15.772 6.862 1.00 0.00 N ATOM 858 CA PHE A1123 8.866 15.218 8.070 1.00 0.00 C ATOM 859 C PHE A1123 9.116 13.718 7.912 1.00 0.00 C ATOM 860 O PHE A1123 9.616 13.049 8.823 1.00 0.00 O ATOM 861 CB PHE A1123 7.961 15.479 9.278 1.00 0.00 C ATOM 862 CG PHE A1123 7.752 16.938 9.626 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.488 17.883 8.647 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.786 17.354 10.946 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.267 19.197 8.968 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.556 18.675 11.279 1.00 0.00 C ATOM 867 CZ PHE A1123 7.295 19.599 10.284 1.00 0.00 C ATOM 0 H PHE A1123 7.300 15.510 6.704 1.00 0.00 H new ATOM 0 HA PHE A1123 9.824 15.711 8.236 1.00 0.00 H new ATOM 0 HB2 PHE A1123 6.989 15.025 9.088 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.385 14.973 10.145 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.456 17.578 7.611 1.00 0.00 H new ATOM 0 HD2 PHE A1123 7.995 16.636 11.726 1.00 0.00 H new ATOM 0 HE1 PHE A1123 7.071 19.917 8.188 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.580 18.985 12.313 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.114 20.633 10.539 1.00 0.00 H new ATOM 877 N VAL A1124 8.781 13.195 6.745 1.00 0.00 N ATOM 878 CA VAL A1124 8.973 11.781 6.461 1.00 0.00 C ATOM 879 C VAL A1124 9.749 11.605 5.164 1.00 0.00 C ATOM 880 O VAL A1124 9.977 12.565 4.435 1.00 0.00 O ATOM 881 CB VAL A1124 7.629 11.015 6.368 1.00 0.00 C ATOM 882 CG1 VAL A1124 6.982 10.890 7.734 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.668 11.696 5.409 1.00 0.00 C ATOM 0 H VAL A1124 8.374 13.728 5.977 1.00 0.00 H new ATOM 0 HA VAL A1124 9.540 11.362 7.292 1.00 0.00 H new ATOM 0 HB VAL A1124 7.852 10.018 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.040 10.349 7.642 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.649 10.347 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.791 11.884 8.139 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.736 11.133 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.465 12.709 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.113 11.735 4.415 1.00 0.00 H new ATOM 893 N HIS A1125 10.175 10.390 4.885 1.00 0.00 N ATOM 894 CA HIS A1125 10.904 10.118 3.658 1.00 0.00 C ATOM 895 C HIS A1125 10.358 8.861 3.008 1.00 0.00 C ATOM 896 O HIS A1125 10.017 7.901 3.696 1.00 0.00 O ATOM 897 CB HIS A1125 12.400 9.969 3.947 1.00 0.00 C ATOM 898 CG HIS A1125 13.270 10.150 2.739 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.511 11.381 2.165 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.960 9.252 1.999 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.309 11.230 1.125 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.597 9.949 1.002 1.00 0.00 N ATOM 0 H HIS A1125 10.031 9.578 5.486 1.00 0.00 H new ATOM 0 HA HIS A1125 10.773 10.955 2.973 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.689 10.698 4.704 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.582 8.981 4.370 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.002 8.185 2.162 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.666 12.022 0.483 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.196 9.542 0.283 1.00 0.00 H new ATOM 911 N ILE A1126 10.266 8.876 1.689 1.00 0.00 N ATOM 912 CA ILE A1126 9.684 7.767 0.953 1.00 0.00 C ATOM 913 C ILE A1126 10.708 6.656 0.747 1.00 0.00 C ATOM 914 O ILE A1126 11.807 6.889 0.240 1.00 0.00 O ATOM 915 CB ILE A1126 9.105 8.224 -0.417 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.760 8.950 -0.237 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.931 7.041 -1.362 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.853 10.310 0.429 1.00 0.00 C ATOM 0 H ILE A1126 10.588 9.647 1.104 1.00 0.00 H new ATOM 0 HA ILE A1126 8.860 7.380 1.552 1.00 0.00 H new ATOM 0 HB ILE A1126 9.821 8.919 -0.856 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.295 9.072 -1.216 1.00 0.00 H new ATOM 0 HG13 ILE A1126 7.098 8.317 0.354 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.525 7.390 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.897 6.567 -1.533 1.00 0.00 H new ATOM 0 HG23 ILE A1126 8.246 6.319 -0.918 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.856 10.743 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.285 10.199 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.485 10.966 -0.170 1.00 0.00 H new ATOM 930 N LEU A1127 10.348 5.455 1.181 1.00 0.00 N ATOM 931 CA LEU A1127 11.185 4.281 0.984 1.00 0.00 C ATOM 932 C LEU A1127 10.590 3.401 -0.100 1.00 0.00 C ATOM 933 O LEU A1127 11.270 3.059 -1.066 1.00 0.00 O ATOM 934 CB LEU A1127 11.306 3.454 2.273 1.00 0.00 C ATOM 935 CG LEU A1127 12.232 4.012 3.359 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.682 5.299 3.939 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.421 2.983 4.459 1.00 0.00 C ATOM 0 H LEU A1127 9.475 5.269 1.675 1.00 0.00 H new ATOM 0 HA LEU A1127 12.176 4.628 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.310 3.340 2.700 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.655 2.456 2.007 1.00 0.00 H new ATOM 0 HG LEU A1127 13.197 4.232 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.360 5.671 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A1127 11.586 6.043 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A1127 10.703 5.110 4.380 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.080 3.388 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A1127 11.455 2.742 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.864 2.080 4.040 1.00 0.00 H new ATOM 949 N SER A1128 9.314 3.052 0.065 1.00 0.00 N ATOM 950 CA SER A1128 8.650 2.098 -0.815 1.00 0.00 C ATOM 951 C SER A1128 9.466 0.810 -0.875 1.00 0.00 C ATOM 952 O SER A1128 9.752 0.271 -1.948 1.00 0.00 O ATOM 953 CB SER A1128 8.448 2.700 -2.208 1.00 0.00 C ATOM 954 OG SER A1128 7.661 3.881 -2.138 1.00 0.00 O ATOM 0 H SER A1128 8.718 3.420 0.806 1.00 0.00 H new ATOM 0 HA SER A1128 7.663 1.864 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.416 2.929 -2.654 1.00 0.00 H new ATOM 0 HB3 SER A1128 7.962 1.972 -2.857 1.00 0.00 H new ATOM 0 HG SER A1128 7.545 4.251 -3.038 1.00 0.00 H new ATOM 960 N ASP A1129 9.850 0.342 0.303 1.00 0.00 N ATOM 961 CA ASP A1129 10.696 -0.825 0.433 1.00 0.00 C ATOM 962 C ASP A1129 10.210 -1.685 1.584 1.00 0.00 C ATOM 963 O ASP A1129 10.437 -1.300 2.752 1.00 0.00 O ATOM 964 CB ASP A1129 12.147 -0.399 0.666 1.00 0.00 C ATOM 965 CG ASP A1129 13.093 -1.578 0.717 1.00 0.00 C ATOM 966 OD1 ASP A1129 13.405 -2.137 -0.354 1.00 0.00 O ATOM 967 OD2 ASP A1129 13.552 -1.938 1.820 1.00 0.00 O ATOM 968 OXT ASP A1129 9.580 -2.727 1.318 1.00 0.00 O ATOM 0 H ASP A1129 9.582 0.763 1.192 1.00 0.00 H new ATOM 0 HA ASP A1129 10.647 -1.406 -0.488 1.00 0.00 H new ATOM 0 HB2 ASP A1129 12.457 0.278 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A1129 12.214 0.158 1.601 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.771 9.676 14.957 1.00 0.00 N ATOM 975 CA CYS B1578 18.485 10.195 13.774 1.00 0.00 C ATOM 976 C CYS B1578 17.631 11.211 13.033 1.00 0.00 C ATOM 977 O CYS B1578 17.023 10.894 12.009 1.00 0.00 O ATOM 978 CB CYS B1578 18.852 9.048 12.836 1.00 0.00 C ATOM 979 SG CYS B1578 19.958 7.828 13.574 1.00 0.00 S ATOM 0 HA CYS B1578 19.396 10.687 14.114 1.00 0.00 H new ATOM 0 HB2 CYS B1578 17.938 8.548 12.514 1.00 0.00 H new ATOM 0 HB3 CYS B1578 19.323 9.458 11.943 1.00 0.00 H new ATOM 0 HG CYS B1578 20.212 6.893 12.708 1.00 0.00 H new ATOM 987 N ILE B1579 17.569 12.431 13.551 1.00 0.00 N ATOM 988 CA ILE B1579 16.842 13.483 12.871 1.00 0.00 C ATOM 989 C ILE B1579 17.597 13.917 11.631 1.00 0.00 C ATOM 990 O ILE B1579 18.753 14.343 11.703 1.00 0.00 O ATOM 991 CB ILE B1579 16.589 14.712 13.765 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.660 14.349 14.920 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.000 15.858 12.946 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.270 15.537 15.764 1.00 0.00 C ATOM 0 H ILE B1579 18.009 12.710 14.428 1.00 0.00 H new ATOM 0 HA ILE B1579 15.871 13.067 12.602 1.00 0.00 H new ATOM 0 HB ILE B1579 17.543 15.039 14.178 1.00 0.00 H new ATOM 0 HG12 ILE B1579 14.759 13.884 14.521 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.149 13.607 15.552 1.00 0.00 H new ATOM 0 HG21 ILE B1579 15.828 16.717 13.594 1.00 0.00 H new ATOM 0 HG22 ILE B1579 16.696 16.134 12.154 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.055 15.542 12.505 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.609 15.211 16.567 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.165 15.989 16.191 1.00 0.00 H new ATOM 0 HD13 ILE B1579 14.754 16.270 15.144 1.00 0.00 H new ATOM 1006 N ILE B1580 16.945 13.779 10.498 1.00 0.00 N ATOM 1007 CA ILE B1580 17.503 14.221 9.236 1.00 0.00 C ATOM 1008 C ILE B1580 17.633 15.736 9.245 1.00 0.00 C ATOM 1009 O ILE B1580 16.647 16.439 9.340 1.00 0.00 O ATOM 1010 CB ILE B1580 16.624 13.738 8.049 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.091 12.364 7.570 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.606 14.730 6.894 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.035 11.307 8.645 1.00 0.00 C ATOM 0 H ILE B1580 16.018 13.360 10.423 1.00 0.00 H new ATOM 0 HA ILE B1580 18.494 13.785 9.107 1.00 0.00 H new ATOM 0 HB ILE B1580 15.600 13.663 8.416 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.472 12.050 6.729 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.114 12.444 7.201 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.977 14.343 6.092 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.207 15.684 7.240 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.621 14.874 6.522 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.380 10.356 8.239 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.676 11.600 9.477 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.009 11.200 8.997 1.00 0.00 H new ATOM 1025 N SER B1581 18.856 16.230 9.220 1.00 0.00 N ATOM 1026 CA SER B1581 19.099 17.665 9.150 1.00 0.00 C ATOM 1027 C SER B1581 18.446 18.395 10.335 1.00 0.00 C ATOM 1028 O SER B1581 18.298 17.828 11.424 1.00 0.00 O ATOM 1029 CB SER B1581 18.544 18.198 7.827 1.00 0.00 C ATOM 1030 OG SER B1581 19.145 17.541 6.718 1.00 0.00 O ATOM 0 H SER B1581 19.701 15.660 9.247 1.00 0.00 H new ATOM 0 HA SER B1581 20.172 17.847 9.201 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.464 18.054 7.798 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.724 19.271 7.759 1.00 0.00 H new ATOM 0 HG SER B1581 18.772 17.898 5.885 1.00 0.00 H new ATOM 1036 N ALA B1582 18.083 19.656 10.129 1.00 0.00 N ATOM 1037 CA ALA B1582 17.285 20.387 11.099 1.00 0.00 C ATOM 1038 C ALA B1582 15.812 20.243 10.750 1.00 0.00 C ATOM 1039 O ALA B1582 15.465 20.021 9.590 1.00 0.00 O ATOM 1040 CB ALA B1582 17.690 21.852 11.119 1.00 0.00 C ATOM 0 H ALA B1582 18.330 20.192 9.297 1.00 0.00 H new ATOM 0 HA ALA B1582 17.457 19.975 12.093 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.084 22.387 11.850 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.743 21.935 11.390 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.534 22.286 10.131 1.00 0.00 H new ATOM 1046 N MET B1583 14.954 20.359 11.756 1.00 0.00 N ATOM 1047 CA MET B1583 13.518 20.169 11.570 1.00 0.00 C ATOM 1048 C MET B1583 12.935 21.153 10.559 1.00 0.00 C ATOM 1049 O MET B1583 13.220 22.351 10.605 1.00 0.00 O ATOM 1050 CB MET B1583 12.788 20.302 12.911 1.00 0.00 C ATOM 1051 CG MET B1583 11.274 20.347 12.784 1.00 0.00 C ATOM 1052 SD MET B1583 10.448 19.516 14.147 1.00 0.00 S ATOM 1053 CE MET B1583 11.047 17.849 13.891 1.00 0.00 C ATOM 0 H MET B1583 15.227 20.584 12.712 1.00 0.00 H new ATOM 0 HA MET B1583 13.372 19.164 11.173 1.00 0.00 H new ATOM 0 HB2 MET B1583 13.065 19.463 13.549 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.128 21.209 13.411 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.946 21.386 12.743 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.977 19.881 11.844 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.293 17.136 14.225 1.00 0.00 H new ATOM 0 HE2 MET B1583 11.249 17.694 12.831 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.964 17.701 14.461 1.00 0.00 H new ATOM 1063 N PRO B1584 12.097 20.647 9.636 1.00 0.00 N ATOM 1064 CA PRO B1584 11.402 21.462 8.666 1.00 0.00 C ATOM 1065 C PRO B1584 10.140 22.017 9.282 1.00 0.00 C ATOM 1066 O PRO B1584 9.877 21.804 10.465 1.00 0.00 O ATOM 1067 CB PRO B1584 11.077 20.472 7.554 1.00 0.00 C ATOM 1068 CG PRO B1584 10.863 19.185 8.266 1.00 0.00 C ATOM 1069 CD PRO B1584 11.724 19.231 9.500 1.00 0.00 C ATOM 0 HA PRO B1584 11.977 22.318 8.312 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.188 20.773 6.999 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.892 20.399 6.834 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.813 19.058 8.530 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.137 18.341 7.633 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.181 18.878 10.376 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.604 18.597 9.394 1.00 0.00 H new ATOM 1077 N THR B1585 9.350 22.704 8.506 1.00 0.00 N ATOM 1078 CA THR B1585 8.153 23.280 9.050 1.00 0.00 C ATOM 1079 C THR B1585 6.951 22.610 8.435 1.00 0.00 C ATOM 1080 O THR B1585 6.947 22.266 7.251 1.00 0.00 O ATOM 1081 CB THR B1585 8.081 24.809 8.846 1.00 0.00 C ATOM 1082 OG1 THR B1585 6.974 25.345 9.586 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.937 25.178 7.375 1.00 0.00 C ATOM 0 H THR B1585 9.508 22.877 7.513 1.00 0.00 H new ATOM 0 HA THR B1585 8.165 23.111 10.127 1.00 0.00 H new ATOM 0 HB THR B1585 9.016 25.236 9.209 1.00 0.00 H new ATOM 0 HG1 THR B1585 6.933 26.315 9.456 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.890 26.262 7.275 1.00 0.00 H new ATOM 0 HG22 THR B1585 8.795 24.799 6.819 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.023 24.737 6.977 1.00 0.00 H new ATOM 1091 N LYS B1586 5.963 22.366 9.264 1.00 0.00 N ATOM 1092 CA LYS B1586 4.710 21.830 8.803 1.00 0.00 C ATOM 1093 C LYS B1586 4.040 22.891 7.945 1.00 0.00 C ATOM 1094 O LYS B1586 3.434 23.831 8.461 1.00 0.00 O ATOM 1095 CB LYS B1586 3.857 21.433 10.002 1.00 0.00 C ATOM 1096 CG LYS B1586 2.549 20.774 9.638 1.00 0.00 C ATOM 1097 CD LYS B1586 1.381 21.683 9.956 1.00 0.00 C ATOM 1098 CE LYS B1586 1.378 22.070 11.425 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.249 22.983 11.754 1.00 0.00 N ATOM 0 H LYS B1586 6.007 22.533 10.269 1.00 0.00 H new ATOM 0 HA LYS B1586 4.854 20.932 8.202 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.430 20.754 10.633 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.650 22.322 10.597 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.544 20.527 8.576 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.445 19.836 10.184 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.435 22.580 9.340 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.446 21.181 9.706 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.309 21.171 12.038 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.322 22.554 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 0.261 23.197 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.347 23.866 11.213 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 -0.651 22.525 11.508 1.00 0.00 H new ATOM 1113 N SER B1587 4.174 22.732 6.634 1.00 0.00 N ATOM 1114 CA SER B1587 3.840 23.782 5.666 1.00 0.00 C ATOM 1115 C SER B1587 2.336 24.013 5.542 1.00 0.00 C ATOM 1116 O SER B1587 1.884 24.674 4.604 1.00 0.00 O ATOM 1117 CB SER B1587 4.413 23.411 4.298 1.00 0.00 C ATOM 1118 OG SER B1587 5.752 22.961 4.413 1.00 0.00 O ATOM 0 H SER B1587 4.517 21.872 6.206 1.00 0.00 H new ATOM 0 HA SER B1587 4.280 24.711 6.029 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.802 22.632 3.843 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.372 24.276 3.636 1.00 0.00 H new ATOM 0 HG SER B1587 5.784 21.991 4.278 1.00 0.00 H new ATOM 1124 N SER B1588 1.583 23.489 6.504 1.00 0.00 N ATOM 1125 CA SER B1588 0.131 23.547 6.496 1.00 0.00 C ATOM 1126 C SER B1588 -0.437 22.694 5.369 1.00 0.00 C ATOM 1127 O SER B1588 -0.025 22.790 4.214 1.00 0.00 O ATOM 1128 CB SER B1588 -0.367 24.992 6.392 1.00 0.00 C ATOM 1129 OG SER B1588 0.121 25.774 7.471 1.00 0.00 O ATOM 0 H SER B1588 1.970 23.009 7.317 1.00 0.00 H new ATOM 0 HA SER B1588 -0.225 23.142 7.443 1.00 0.00 H new ATOM 0 HB2 SER B1588 -0.042 25.426 5.447 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.457 25.006 6.391 1.00 0.00 H new ATOM 0 HG SER B1588 -0.208 26.693 7.384 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.354 21.825 5.733 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.027 20.966 4.781 1.00 0.00 C ATOM 1137 C ARG B1589 -2.776 21.815 3.767 1.00 0.00 C ATOM 1138 O ARG B1589 -3.601 22.638 4.133 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.939 20.033 5.572 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.750 19.024 4.785 1.00 0.00 C ATOM 1141 CD ARG B1589 -4.175 17.917 5.732 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.273 17.088 5.241 1.00 0.00 N ATOM 1143 CZ ARG B1589 -6.051 16.362 6.045 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.895 16.429 7.354 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -6.989 15.570 5.553 1.00 0.00 N ATOM 0 H ARG B1589 -1.655 21.693 6.699 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.324 20.359 4.210 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.324 19.487 6.288 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.631 20.647 6.149 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.624 19.501 4.341 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.158 18.617 3.965 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.315 17.278 5.932 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -4.470 18.362 6.682 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.453 17.063 4.237 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.179 17.037 7.752 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.491 15.873 7.968 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.126 15.508 4.544 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.575 15.022 6.182 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.453 21.638 2.494 1.00 0.00 N ATOM 1160 CA LYS B1590 -2.999 22.494 1.443 1.00 0.00 C ATOM 1161 C LYS B1590 -4.478 22.205 1.209 1.00 0.00 C ATOM 1162 O LYS B1590 -5.150 22.899 0.446 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.203 22.338 0.139 1.00 0.00 C ATOM 1164 CG LYS B1590 -0.790 22.919 0.194 1.00 0.00 C ATOM 1165 CD LYS B1590 0.142 22.080 1.056 1.00 0.00 C ATOM 1166 CE LYS B1590 1.501 22.740 1.241 1.00 0.00 C ATOM 1167 NZ LYS B1590 2.158 23.044 -0.057 1.00 0.00 N ATOM 0 H LYS B1590 -1.818 20.913 2.161 1.00 0.00 H new ATOM 0 HA LYS B1590 -2.907 23.528 1.777 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.139 21.279 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.752 22.822 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.386 22.985 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.831 23.934 0.588 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.317 21.916 2.031 1.00 0.00 H new ATOM 0 HD3 LYS B1590 0.275 21.100 0.598 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.381 23.662 1.810 1.00 0.00 H new ATOM 0 HE3 LYS B1590 2.145 22.084 1.828 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 3.143 23.333 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 2.145 22.197 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.647 23.815 -0.532 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.981 21.178 1.883 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.399 20.866 1.855 1.00 0.00 C ATOM 1183 C ALA B1591 -7.112 21.520 3.040 1.00 0.00 C ATOM 1184 O ALA B1591 -8.300 21.297 3.267 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.612 19.362 1.851 1.00 0.00 C ATOM 0 H ALA B1591 -4.423 20.546 2.457 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.828 21.269 0.938 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.680 19.146 1.830 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -6.137 18.930 0.970 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -6.172 18.930 2.750 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.367 22.314 3.808 1.00 0.00 N ATOM 1192 CA LYS B1592 -6.953 23.119 4.872 1.00 0.00 C ATOM 1193 C LYS B1592 -7.668 24.304 4.256 1.00 0.00 C ATOM 1194 O LYS B1592 -7.085 25.051 3.466 1.00 0.00 O ATOM 1195 CB LYS B1592 -5.887 23.621 5.852 1.00 0.00 C ATOM 1196 CG LYS B1592 -5.275 22.541 6.729 1.00 0.00 C ATOM 1197 CD LYS B1592 -4.009 23.044 7.413 1.00 0.00 C ATOM 1198 CE LYS B1592 -4.304 24.046 8.521 1.00 0.00 C ATOM 1199 NZ LYS B1592 -4.543 23.376 9.829 1.00 0.00 N ATOM 0 H LYS B1592 -5.357 22.415 3.711 1.00 0.00 H new ATOM 0 HA LYS B1592 -7.653 22.496 5.428 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -5.091 24.105 5.286 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -6.331 24.383 6.493 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -5.998 22.226 7.481 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -5.042 21.665 6.124 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -3.464 22.197 7.829 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -3.359 23.508 6.671 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -3.468 24.739 8.616 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -5.179 24.638 8.251 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -4.904 24.070 10.514 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -5.241 22.615 9.707 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -3.651 22.974 10.181 1.00 0.00 H new ATOM 1213 N LYS B1593 -8.926 24.466 4.607 1.00 0.00 N ATOM 1214 CA LYS B1593 -9.731 25.537 4.058 1.00 0.00 C ATOM 1215 C LYS B1593 -9.346 26.864 4.701 1.00 0.00 C ATOM 1216 O LYS B1593 -9.095 26.921 5.908 1.00 0.00 O ATOM 1217 CB LYS B1593 -11.215 25.242 4.274 1.00 0.00 C ATOM 1218 CG LYS B1593 -11.665 23.945 3.626 1.00 0.00 C ATOM 1219 CD LYS B1593 -13.139 23.683 3.868 1.00 0.00 C ATOM 1220 CE LYS B1593 -13.596 22.404 3.186 1.00 0.00 C ATOM 1221 NZ LYS B1593 -13.400 22.454 1.711 1.00 0.00 N ATOM 0 H LYS B1593 -9.415 23.867 5.273 1.00 0.00 H new ATOM 0 HA LYS B1593 -9.546 25.607 2.986 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -11.418 25.196 5.344 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -11.805 26.066 3.872 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -11.474 23.988 2.554 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -11.078 23.117 4.022 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -13.326 23.612 4.939 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -13.725 24.524 3.497 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -13.044 21.558 3.596 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -14.650 22.233 3.405 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -13.931 21.680 1.264 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -13.743 23.365 1.346 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -12.389 22.352 1.492 1.00 0.00 H new ATOM 1235 N PRO B1594 -9.264 27.938 3.897 1.00 0.00 N ATOM 1236 CA PRO B1594 -8.917 29.278 4.382 1.00 0.00 C ATOM 1237 C PRO B1594 -10.015 29.871 5.263 1.00 0.00 C ATOM 1238 O PRO B1594 -10.764 30.758 4.845 1.00 0.00 O ATOM 1239 CB PRO B1594 -8.751 30.109 3.098 1.00 0.00 C ATOM 1240 CG PRO B1594 -8.696 29.119 1.984 1.00 0.00 C ATOM 1241 CD PRO B1594 -9.491 27.933 2.446 1.00 0.00 C ATOM 0 HA PRO B1594 -8.022 29.262 5.004 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -9.584 30.800 2.968 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -7.842 30.709 3.134 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -9.115 29.537 1.069 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -7.667 28.837 1.763 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -10.548 28.034 2.201 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -9.144 27.008 1.985 1.00 0.00 H new ATOM 1249 N ALA B1595 -10.112 29.360 6.479 1.00 0.00 N ATOM 1250 CA ALA B1595 -11.103 29.823 7.431 1.00 0.00 C ATOM 1251 C ALA B1595 -10.441 30.168 8.757 1.00 0.00 C ATOM 1252 O ALA B1595 -9.242 29.946 8.937 1.00 0.00 O ATOM 1253 CB ALA B1595 -12.174 28.760 7.627 1.00 0.00 C ATOM 0 H ALA B1595 -9.509 28.617 6.831 1.00 0.00 H new ATOM 0 HA ALA B1595 -11.575 30.724 7.040 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -12.914 29.117 8.344 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -12.662 28.555 6.674 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -11.715 27.846 8.004 1.00 0.00 H new ATOM 1259 N GLN B1596 -11.220 30.712 9.676 1.00 0.00 N ATOM 1260 CA GLN B1596 -10.719 31.060 10.995 1.00 0.00 C ATOM 1261 C GLN B1596 -11.148 30.013 12.015 1.00 0.00 C ATOM 1262 O GLN B1596 -12.346 29.982 12.368 1.00 0.00 O ATOM 1263 CB GLN B1596 -11.217 32.446 11.400 1.00 0.00 C ATOM 1264 CG GLN B1596 -10.695 33.555 10.503 1.00 0.00 C ATOM 1265 CD GLN B1596 -11.369 34.888 10.757 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -11.805 35.180 11.871 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -11.453 35.708 9.722 1.00 0.00 N ATOM 1268 OXT GLN B1596 -10.291 29.216 12.444 1.00 0.00 O ATOM 0 H GLN B1596 -12.207 30.923 9.532 1.00 0.00 H new ATOM 0 HA GLN B1596 -9.630 31.082 10.964 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -12.307 32.454 11.380 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -10.916 32.647 12.428 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -9.621 33.662 10.655 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -10.843 33.272 9.461 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -11.078 35.426 8.816 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -11.892 36.622 9.830 1.00 0.00 H new TER 1277 GLN B1596