USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 473 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 Single : A1073 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.477) USER MOD Single : A1074 THR OG1 : rot 122:sc= 2.03 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -57:sc= 0 USER MOD Single : A1079 GLN : amide:sc= -1.3! K(o=-1.3!,f=-0.0088) USER MOD Single : A1082 ASN : amide:sc= 1.02 K(o=1,f=-0.043) USER MOD Single : A1087 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A1097 THR OG1 : rot -150:sc= -1.14 USER MOD Single : A1102 GLN : amide:sc= 1.2 K(o=1.2,f=-0.017) USER MOD Single : A1108 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-5!) USER MOD Single : A1112 GLN : amide:sc= -0.0273 K(o=-0.027,f=-3!) USER MOD Single : A1116 LYS NZ :NH3+ -158:sc= 1.06 (180deg=0.342) USER MOD Single : A1122 SER OG : rot -121:sc= 1.45 USER MOD Single : A1125 HIS : no HD1:sc= 0 K(o=0,f=-0.86) USER MOD Single : A1128 SER OG : rot 180:sc= 0.0694 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 1.286 1.050 0.230 1.00 0.00 N ATOM 2 CA VAL A1069 1.953 1.368 -1.051 1.00 0.00 C ATOM 3 C VAL A1069 0.932 1.602 -2.162 1.00 0.00 C ATOM 4 O VAL A1069 0.679 0.736 -3.001 1.00 0.00 O ATOM 5 CB VAL A1069 2.952 0.265 -1.476 1.00 0.00 C ATOM 6 CG1 VAL A1069 4.222 0.354 -0.648 1.00 0.00 C ATOM 7 CG2 VAL A1069 2.338 -1.122 -1.340 1.00 0.00 C ATOM 0 HA VAL A1069 2.516 2.287 -0.890 1.00 0.00 H new ATOM 0 HB VAL A1069 3.197 0.426 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A1069 4.915 -0.428 -0.959 1.00 0.00 H new ATOM 0 HG12 VAL A1069 4.686 1.329 -0.797 1.00 0.00 H new ATOM 0 HG13 VAL A1069 3.979 0.225 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A1069 3.066 -1.874 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A1069 2.054 -1.294 -0.302 1.00 0.00 H new ATOM 0 HG23 VAL A1069 1.454 -1.193 -1.974 1.00 0.00 H new ATOM 19 N ARG A1070 0.343 2.786 -2.153 1.00 0.00 N ATOM 20 CA ARG A1070 -0.613 3.173 -3.181 1.00 0.00 C ATOM 21 C ARG A1070 0.127 3.593 -4.448 1.00 0.00 C ATOM 22 O ARG A1070 1.328 3.860 -4.415 1.00 0.00 O ATOM 23 CB ARG A1070 -1.500 4.315 -2.680 1.00 0.00 C ATOM 24 CG ARG A1070 -0.729 5.588 -2.385 1.00 0.00 C ATOM 25 CD ARG A1070 -1.630 6.696 -1.871 1.00 0.00 C ATOM 26 NE ARG A1070 -2.198 6.389 -0.560 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.890 7.045 0.560 1.00 0.00 C ATOM 28 NH1 ARG A1070 -0.969 8.003 0.539 1.00 0.00 N ATOM 29 NH2 ARG A1070 -2.494 6.734 1.699 1.00 0.00 N ATOM 0 H ARG A1070 0.510 3.499 -1.443 1.00 0.00 H new ATOM 0 HA ARG A1070 -1.249 2.318 -3.411 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -2.265 4.526 -3.427 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -2.018 3.994 -1.776 1.00 0.00 H new ATOM 0 HG2 ARG A1070 0.045 5.379 -1.647 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -0.224 5.923 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -1.061 7.624 -1.809 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.438 6.864 -2.584 1.00 0.00 H new ATOM 0 HE ARG A1070 -2.872 5.626 -0.497 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -0.497 8.237 -0.334 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -0.734 8.504 1.396 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.194 5.993 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -2.258 7.236 2.555 1.00 0.00 H new ATOM 43 N ARG A1071 -0.585 3.654 -5.556 1.00 0.00 N ATOM 44 CA ARG A1071 0.023 3.976 -6.836 1.00 0.00 C ATOM 45 C ARG A1071 -0.578 5.246 -7.415 1.00 0.00 C ATOM 46 O ARG A1071 -1.752 5.541 -7.204 1.00 0.00 O ATOM 47 CB ARG A1071 -0.165 2.818 -7.817 1.00 0.00 C ATOM 48 CG ARG A1071 0.715 1.610 -7.514 1.00 0.00 C ATOM 49 CD ARG A1071 0.370 0.418 -8.402 1.00 0.00 C ATOM 50 NE ARG A1071 1.427 -0.596 -8.402 1.00 0.00 N ATOM 51 CZ ARG A1071 1.299 -1.834 -7.916 1.00 0.00 C ATOM 52 NH1 ARG A1071 0.144 -2.256 -7.418 1.00 0.00 N ATOM 53 NH2 ARG A1071 2.333 -2.663 -7.969 1.00 0.00 N ATOM 0 H ARG A1071 -1.590 3.484 -5.597 1.00 0.00 H new ATOM 0 HA ARG A1071 1.089 4.139 -6.675 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.210 2.508 -7.804 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.050 3.169 -8.826 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.762 1.878 -7.657 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.598 1.329 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A1071 -0.562 -0.031 -8.059 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.200 0.764 -9.422 1.00 0.00 H new ATOM 0 HE ARG A1071 2.329 -0.338 -8.803 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -0.663 -1.632 -7.402 1.00 0.00 H new ATOM 0 HH12 ARG A1071 0.063 -3.204 -7.051 1.00 0.00 H new ATOM 0 HH21 ARG A1071 3.215 -2.353 -8.378 1.00 0.00 H new ATOM 0 HH22 ARG A1071 2.247 -3.610 -7.601 1.00 0.00 H new ATOM 67 N VAL A1072 0.236 6.007 -8.123 1.00 0.00 N ATOM 68 CA VAL A1072 -0.228 7.214 -8.786 1.00 0.00 C ATOM 69 C VAL A1072 0.219 7.216 -10.251 1.00 0.00 C ATOM 70 O VAL A1072 1.270 6.667 -10.591 1.00 0.00 O ATOM 71 CB VAL A1072 0.281 8.491 -8.083 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.191 8.533 -6.639 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.793 8.584 -8.145 1.00 0.00 C ATOM 0 H VAL A1072 1.228 5.810 -8.255 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.317 7.217 -8.734 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.134 9.349 -8.611 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.178 9.441 -6.162 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.281 8.527 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.190 7.662 -6.106 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.123 9.493 -7.642 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.231 7.717 -7.651 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.114 8.609 -9.186 1.00 0.00 H new ATOM 83 N LYS A1073 -0.590 7.816 -11.106 1.00 0.00 N ATOM 84 CA LYS A1073 -0.320 7.878 -12.535 1.00 0.00 C ATOM 85 C LYS A1073 -0.151 9.325 -12.958 1.00 0.00 C ATOM 86 O LYS A1073 -1.126 10.056 -13.083 1.00 0.00 O ATOM 87 CB LYS A1073 -1.479 7.242 -13.302 1.00 0.00 C ATOM 88 CG LYS A1073 -1.123 6.829 -14.711 1.00 0.00 C ATOM 89 CD LYS A1073 0.089 5.929 -14.702 1.00 0.00 C ATOM 90 CE LYS A1073 0.106 4.995 -15.903 1.00 0.00 C ATOM 91 NZ LYS A1073 0.290 5.717 -17.189 1.00 0.00 N ATOM 0 H LYS A1073 -1.457 8.277 -10.829 1.00 0.00 H new ATOM 0 HA LYS A1073 0.597 7.332 -12.757 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.829 6.367 -12.754 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.309 7.948 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -1.966 6.311 -15.169 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -0.924 7.713 -15.317 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.994 6.537 -14.701 1.00 0.00 H new ATOM 0 HD3 LYS A1073 0.099 5.341 -13.784 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.909 4.268 -15.781 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.829 4.435 -15.936 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -0.201 5.204 -17.949 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -0.104 6.676 -17.108 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 1.304 5.777 -17.411 1.00 0.00 H new ATOM 105 N THR A1074 1.087 9.728 -13.162 1.00 0.00 N ATOM 106 CA THR A1074 1.409 11.116 -13.462 1.00 0.00 C ATOM 107 C THR A1074 0.607 11.641 -14.653 1.00 0.00 C ATOM 108 O THR A1074 0.651 11.081 -15.748 1.00 0.00 O ATOM 109 CB THR A1074 2.912 11.273 -13.745 1.00 0.00 C ATOM 110 OG1 THR A1074 3.281 10.493 -14.880 1.00 0.00 O ATOM 111 CG2 THR A1074 3.731 10.825 -12.547 1.00 0.00 C ATOM 0 H THR A1074 1.897 9.109 -13.126 1.00 0.00 H new ATOM 0 HA THR A1074 1.140 11.704 -12.585 1.00 0.00 H new ATOM 0 HB THR A1074 3.112 12.326 -13.942 1.00 0.00 H new ATOM 0 HG1 THR A1074 3.680 11.074 -15.561 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.792 10.944 -12.767 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.470 11.432 -11.680 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.520 9.777 -12.333 1.00 0.00 H new ATOM 119 N ILE A1075 -0.138 12.712 -14.420 1.00 0.00 N ATOM 120 CA ILE A1075 -0.951 13.323 -15.463 1.00 0.00 C ATOM 121 C ILE A1075 -0.330 14.635 -15.928 1.00 0.00 C ATOM 122 O ILE A1075 -0.831 15.289 -16.842 1.00 0.00 O ATOM 123 CB ILE A1075 -2.399 13.568 -14.985 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.405 14.267 -13.621 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.163 12.252 -14.926 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.790 14.517 -13.063 1.00 0.00 C ATOM 0 H ILE A1075 -0.197 13.178 -13.514 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.983 12.626 -16.300 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.898 14.222 -15.700 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.843 13.661 -12.911 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.883 15.220 -13.710 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.182 12.438 -14.588 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.187 11.800 -15.918 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.668 11.575 -14.230 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.709 15.014 -12.097 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.351 15.150 -13.751 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.309 13.567 -12.939 1.00 0.00 H new ATOM 138 N TYR A1076 0.765 15.010 -15.282 1.00 0.00 N ATOM 139 CA TYR A1076 1.526 16.190 -15.655 1.00 0.00 C ATOM 140 C TYR A1076 3.010 15.878 -15.561 1.00 0.00 C ATOM 141 O TYR A1076 3.426 15.060 -14.740 1.00 0.00 O ATOM 142 CB TYR A1076 1.194 17.371 -14.740 1.00 0.00 C ATOM 143 CG TYR A1076 -0.180 17.958 -14.953 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.439 18.785 -16.036 1.00 0.00 C ATOM 145 CD2 TYR A1076 -1.213 17.697 -14.063 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.689 19.337 -16.228 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.468 18.243 -14.250 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.700 19.062 -15.333 1.00 0.00 C ATOM 149 OH TYR A1076 -3.946 19.613 -15.521 1.00 0.00 O ATOM 0 H TYR A1076 1.149 14.503 -14.485 1.00 0.00 H new ATOM 0 HA TYR A1076 1.263 16.464 -16.677 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.280 17.047 -13.703 1.00 0.00 H new ATOM 0 HB3 TYR A1076 1.938 18.153 -14.893 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.351 19.000 -16.741 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -1.033 17.057 -13.212 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.874 19.981 -17.075 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -3.263 18.029 -13.551 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.545 19.319 -14.803 1.00 0.00 H new ATOM 159 N ASP A1077 3.800 16.509 -16.412 1.00 0.00 N ATOM 160 CA ASP A1077 5.239 16.309 -16.398 1.00 0.00 C ATOM 161 C ASP A1077 5.877 17.142 -15.294 1.00 0.00 C ATOM 162 O ASP A1077 5.519 18.305 -15.089 1.00 0.00 O ATOM 163 CB ASP A1077 5.861 16.668 -17.754 1.00 0.00 C ATOM 164 CG ASP A1077 5.836 18.157 -18.056 1.00 0.00 C ATOM 165 OD1 ASP A1077 4.732 18.720 -18.228 1.00 0.00 O ATOM 166 OD2 ASP A1077 6.925 18.766 -18.148 1.00 0.00 O ATOM 0 H ASP A1077 3.470 17.164 -17.121 1.00 0.00 H new ATOM 0 HA ASP A1077 5.430 15.253 -16.204 1.00 0.00 H new ATOM 0 HB2 ASP A1077 6.893 16.318 -17.776 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.328 16.136 -18.542 1.00 0.00 H new ATOM 171 N CYS A1078 6.808 16.543 -14.577 1.00 0.00 N ATOM 172 CA CYS A1078 7.516 17.248 -13.524 1.00 0.00 C ATOM 173 C CYS A1078 9.017 17.176 -13.766 1.00 0.00 C ATOM 174 O CYS A1078 9.648 16.135 -13.559 1.00 0.00 O ATOM 175 CB CYS A1078 7.173 16.681 -12.149 1.00 0.00 C ATOM 176 SG CYS A1078 7.798 17.668 -10.772 1.00 0.00 S ATOM 0 H CYS A1078 7.092 15.572 -14.703 1.00 0.00 H new ATOM 0 HA CYS A1078 7.200 18.291 -13.543 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.090 16.598 -12.061 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.577 15.672 -12.072 1.00 0.00 H new ATOM 0 HG CYS A1078 9.088 17.790 -10.876 1.00 0.00 H new ATOM 182 N GLN A1079 9.572 18.279 -14.236 1.00 0.00 N ATOM 183 CA GLN A1079 10.991 18.369 -14.513 1.00 0.00 C ATOM 184 C GLN A1079 11.732 18.846 -13.270 1.00 0.00 C ATOM 185 O GLN A1079 11.893 20.047 -13.044 1.00 0.00 O ATOM 186 CB GLN A1079 11.230 19.325 -15.680 1.00 0.00 C ATOM 187 CG GLN A1079 12.667 19.349 -16.169 1.00 0.00 C ATOM 188 CD GLN A1079 12.881 20.354 -17.282 1.00 0.00 C ATOM 189 OE1 GLN A1079 13.716 20.154 -18.161 1.00 0.00 O ATOM 190 NE2 GLN A1079 12.137 21.446 -17.244 1.00 0.00 N ATOM 0 H GLN A1079 9.052 19.134 -14.435 1.00 0.00 H new ATOM 0 HA GLN A1079 11.369 17.384 -14.786 1.00 0.00 H new ATOM 0 HB2 GLN A1079 10.579 19.043 -16.508 1.00 0.00 H new ATOM 0 HB3 GLN A1079 10.942 20.332 -15.377 1.00 0.00 H new ATOM 0 HG2 GLN A1079 13.328 19.588 -15.336 1.00 0.00 H new ATOM 0 HG3 GLN A1079 12.945 18.356 -16.522 1.00 0.00 H new ATOM 0 HE21 GLN A1079 11.455 21.573 -16.496 1.00 0.00 H new ATOM 0 HE22 GLN A1079 12.245 22.162 -17.963 1.00 0.00 H new ATOM 199 N ALA A1080 12.152 17.888 -12.461 1.00 0.00 N ATOM 200 CA ALA A1080 12.867 18.166 -11.223 1.00 0.00 C ATOM 201 C ALA A1080 14.196 18.862 -11.493 1.00 0.00 C ATOM 202 O ALA A1080 14.800 18.683 -12.552 1.00 0.00 O ATOM 203 CB ALA A1080 13.112 16.870 -10.476 1.00 0.00 C ATOM 0 H ALA A1080 12.008 16.895 -12.642 1.00 0.00 H new ATOM 0 HA ALA A1080 12.253 18.833 -10.618 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.647 17.079 -9.550 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.157 16.397 -10.245 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.708 16.200 -11.096 1.00 0.00 H new ATOM 209 N ASP A1081 14.648 19.659 -10.534 1.00 0.00 N ATOM 210 CA ASP A1081 15.940 20.320 -10.655 1.00 0.00 C ATOM 211 C ASP A1081 16.882 19.831 -9.568 1.00 0.00 C ATOM 212 O ASP A1081 18.091 19.719 -9.777 1.00 0.00 O ATOM 213 CB ASP A1081 15.794 21.840 -10.584 1.00 0.00 C ATOM 214 CG ASP A1081 17.084 22.546 -10.953 1.00 0.00 C ATOM 215 OD1 ASP A1081 17.651 22.222 -12.018 1.00 0.00 O ATOM 216 OD2 ASP A1081 17.530 23.434 -10.195 1.00 0.00 O ATOM 0 H ASP A1081 14.144 19.862 -9.671 1.00 0.00 H new ATOM 0 HA ASP A1081 16.358 20.068 -11.630 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.999 22.161 -11.257 1.00 0.00 H new ATOM 0 HB3 ASP A1081 15.496 22.130 -9.577 1.00 0.00 H new ATOM 221 N ASN A1082 16.315 19.525 -8.412 1.00 0.00 N ATOM 222 CA ASN A1082 17.071 18.954 -7.308 1.00 0.00 C ATOM 223 C ASN A1082 16.987 17.439 -7.381 1.00 0.00 C ATOM 224 O ASN A1082 15.998 16.888 -7.859 1.00 0.00 O ATOM 225 CB ASN A1082 16.517 19.431 -5.960 1.00 0.00 C ATOM 226 CG ASN A1082 16.558 20.940 -5.799 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.541 21.499 -5.315 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.487 21.608 -6.200 1.00 0.00 N ATOM 0 H ASN A1082 15.324 19.664 -8.213 1.00 0.00 H new ATOM 0 HA ASN A1082 18.108 19.279 -7.388 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.488 19.088 -5.855 1.00 0.00 H new ATOM 0 HB3 ASN A1082 17.090 18.970 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A1082 15.457 22.624 -6.113 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.692 21.107 -6.596 1.00 0.00 H new ATOM 235 N ASP A1083 18.023 16.774 -6.896 1.00 0.00 N ATOM 236 CA ASP A1083 18.101 15.317 -6.955 1.00 0.00 C ATOM 237 C ASP A1083 17.181 14.693 -5.913 1.00 0.00 C ATOM 238 O ASP A1083 16.928 13.489 -5.928 1.00 0.00 O ATOM 239 CB ASP A1083 19.541 14.839 -6.734 1.00 0.00 C ATOM 240 CG ASP A1083 20.527 15.449 -7.712 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.546 15.036 -8.891 1.00 0.00 O ATOM 242 OD2 ASP A1083 21.302 16.343 -7.296 1.00 0.00 O ATOM 0 H ASP A1083 18.827 17.220 -6.454 1.00 0.00 H new ATOM 0 HA ASP A1083 17.779 15.001 -7.947 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.847 15.085 -5.717 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.575 13.753 -6.823 1.00 0.00 H new ATOM 247 N ASP A1084 16.698 15.525 -4.996 1.00 0.00 N ATOM 248 CA ASP A1084 15.726 15.094 -3.996 1.00 0.00 C ATOM 249 C ASP A1084 14.341 15.022 -4.619 1.00 0.00 C ATOM 250 O ASP A1084 13.482 14.254 -4.181 1.00 0.00 O ATOM 251 CB ASP A1084 15.707 16.057 -2.806 1.00 0.00 C ATOM 252 CG ASP A1084 17.040 16.132 -2.094 1.00 0.00 C ATOM 253 OD1 ASP A1084 17.886 16.959 -2.493 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.246 15.372 -1.124 1.00 0.00 O ATOM 0 H ASP A1084 16.965 16.507 -4.924 1.00 0.00 H new ATOM 0 HA ASP A1084 16.016 14.106 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.429 17.052 -3.154 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.940 15.740 -2.100 1.00 0.00 H new ATOM 259 N GLU A1085 14.137 15.835 -5.645 1.00 0.00 N ATOM 260 CA GLU A1085 12.888 15.842 -6.389 1.00 0.00 C ATOM 261 C GLU A1085 12.900 14.709 -7.402 1.00 0.00 C ATOM 262 O GLU A1085 13.965 14.295 -7.864 1.00 0.00 O ATOM 263 CB GLU A1085 12.711 17.171 -7.127 1.00 0.00 C ATOM 264 CG GLU A1085 12.703 18.398 -6.238 1.00 0.00 C ATOM 265 CD GLU A1085 12.729 19.682 -7.047 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.790 20.004 -7.626 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.699 20.380 -7.111 1.00 0.00 O ATOM 0 H GLU A1085 14.829 16.504 -5.983 1.00 0.00 H new ATOM 0 HA GLU A1085 12.062 15.712 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.514 17.274 -7.857 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.775 17.138 -7.685 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.814 18.384 -5.607 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.566 18.370 -5.573 1.00 0.00 H new ATOM 274 N LEU A1086 11.733 14.200 -7.746 1.00 0.00 N ATOM 275 CA LEU A1086 11.654 13.161 -8.756 1.00 0.00 C ATOM 276 C LEU A1086 11.341 13.760 -10.118 1.00 0.00 C ATOM 277 O LEU A1086 10.539 14.685 -10.234 1.00 0.00 O ATOM 278 CB LEU A1086 10.603 12.108 -8.407 1.00 0.00 C ATOM 279 CG LEU A1086 10.454 11.008 -9.461 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.767 10.267 -9.651 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.352 10.038 -9.085 1.00 0.00 C ATOM 0 H LEU A1086 10.838 14.483 -7.348 1.00 0.00 H new ATOM 0 HA LEU A1086 12.628 12.673 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.864 11.650 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.640 12.601 -8.271 1.00 0.00 H new ATOM 0 HG LEU A1086 10.182 11.483 -10.404 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.640 9.489 -10.404 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.536 10.967 -9.978 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.068 9.812 -8.707 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.268 9.267 -9.851 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.587 9.573 -8.127 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.407 10.575 -9.005 1.00 0.00 H new ATOM 293 N THR A1087 11.979 13.220 -11.143 1.00 0.00 N ATOM 294 CA THR A1087 11.759 13.672 -12.503 1.00 0.00 C ATOM 295 C THR A1087 10.934 12.637 -13.260 1.00 0.00 C ATOM 296 O THR A1087 11.319 11.471 -13.355 1.00 0.00 O ATOM 297 CB THR A1087 13.092 13.899 -13.238 1.00 0.00 C ATOM 298 OG1 THR A1087 14.050 14.471 -12.336 1.00 0.00 O ATOM 299 CG2 THR A1087 12.900 14.826 -14.429 1.00 0.00 C ATOM 0 H THR A1087 12.657 12.463 -11.056 1.00 0.00 H new ATOM 0 HA THR A1087 11.223 14.620 -12.462 1.00 0.00 H new ATOM 0 HB THR A1087 13.455 12.937 -13.600 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.898 14.613 -12.806 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.855 14.972 -14.934 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.187 14.383 -15.124 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.521 15.788 -14.084 1.00 0.00 H new ATOM 307 N PHE A1088 9.797 13.063 -13.780 1.00 0.00 N ATOM 308 CA PHE A1088 8.901 12.166 -14.493 1.00 0.00 C ATOM 309 C PHE A1088 8.094 12.939 -15.523 1.00 0.00 C ATOM 310 O PHE A1088 8.038 14.169 -15.478 1.00 0.00 O ATOM 311 CB PHE A1088 7.952 11.458 -13.516 1.00 0.00 C ATOM 312 CG PHE A1088 7.128 12.392 -12.668 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.033 13.062 -13.199 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.447 12.597 -11.336 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.281 13.916 -12.418 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.695 13.448 -10.551 1.00 0.00 C ATOM 317 CZ PHE A1088 5.611 14.108 -11.094 1.00 0.00 C ATOM 0 H PHE A1088 9.470 14.027 -13.722 1.00 0.00 H new ATOM 0 HA PHE A1088 9.505 11.414 -15.001 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.281 10.812 -14.083 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.538 10.813 -12.861 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.767 12.913 -14.235 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.295 12.085 -10.906 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.434 14.434 -12.844 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.955 13.597 -9.513 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.022 14.774 -10.481 1.00 0.00 H new ATOM 327 N ILE A1089 7.469 12.218 -16.440 1.00 0.00 N ATOM 328 CA ILE A1089 6.589 12.829 -17.423 1.00 0.00 C ATOM 329 C ILE A1089 5.211 12.189 -17.351 1.00 0.00 C ATOM 330 O ILE A1089 5.020 11.196 -16.644 1.00 0.00 O ATOM 331 CB ILE A1089 7.132 12.729 -18.873 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.053 11.291 -19.426 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.561 13.251 -18.944 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.949 10.287 -18.729 1.00 0.00 C ATOM 0 H ILE A1089 7.555 11.205 -16.524 1.00 0.00 H new ATOM 0 HA ILE A1089 6.531 13.889 -17.176 1.00 0.00 H new ATOM 0 HB ILE A1089 6.495 13.352 -19.501 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.021 10.946 -19.354 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.309 11.310 -20.485 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.926 13.173 -19.968 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.583 14.294 -18.629 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.198 12.659 -18.286 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.823 9.307 -19.188 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.989 10.601 -18.823 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.681 10.231 -17.674 1.00 0.00 H new ATOM 346 N GLU A1090 4.262 12.762 -18.070 1.00 0.00 N ATOM 347 CA GLU A1090 2.893 12.272 -18.079 1.00 0.00 C ATOM 348 C GLU A1090 2.835 10.807 -18.512 1.00 0.00 C ATOM 349 O GLU A1090 3.200 10.464 -19.637 1.00 0.00 O ATOM 350 CB GLU A1090 2.022 13.112 -19.018 1.00 0.00 C ATOM 351 CG GLU A1090 2.222 14.615 -18.881 1.00 0.00 C ATOM 352 CD GLU A1090 3.268 15.165 -19.836 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.410 14.662 -19.843 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.946 16.106 -20.593 1.00 0.00 O ATOM 0 H GLU A1090 4.417 13.578 -18.663 1.00 0.00 H new ATOM 0 HA GLU A1090 2.510 12.355 -17.062 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.233 12.822 -20.047 1.00 0.00 H new ATOM 0 HB3 GLU A1090 0.974 12.878 -18.829 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.273 15.120 -19.061 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.516 14.845 -17.857 1.00 0.00 H new ATOM 361 N GLY A1091 2.390 9.949 -17.609 1.00 0.00 N ATOM 362 CA GLY A1091 2.207 8.550 -17.940 1.00 0.00 C ATOM 363 C GLY A1091 3.061 7.630 -17.093 1.00 0.00 C ATOM 364 O GLY A1091 2.949 6.409 -17.194 1.00 0.00 O ATOM 0 H GLY A1091 2.151 10.196 -16.649 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.158 8.285 -17.811 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.448 8.396 -18.992 1.00 0.00 H new ATOM 368 N GLU A1092 3.884 8.210 -16.235 1.00 0.00 N ATOM 369 CA GLU A1092 4.742 7.431 -15.355 1.00 0.00 C ATOM 370 C GLU A1092 3.950 6.907 -14.167 1.00 0.00 C ATOM 371 O GLU A1092 3.115 7.616 -13.599 1.00 0.00 O ATOM 372 CB GLU A1092 5.918 8.279 -14.859 1.00 0.00 C ATOM 373 CG GLU A1092 7.004 8.492 -15.900 1.00 0.00 C ATOM 374 CD GLU A1092 7.828 7.245 -16.146 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.287 6.268 -16.712 1.00 0.00 O ATOM 376 OE2 GLU A1092 9.018 7.232 -15.765 1.00 0.00 O ATOM 0 H GLU A1092 3.977 9.220 -16.128 1.00 0.00 H new ATOM 0 HA GLU A1092 5.131 6.586 -15.923 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.543 9.250 -14.536 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.356 7.799 -13.984 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.547 8.811 -16.836 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.661 9.299 -15.575 1.00 0.00 H new ATOM 383 N VAL A1093 4.196 5.660 -13.807 1.00 0.00 N ATOM 384 CA VAL A1093 3.589 5.087 -12.628 1.00 0.00 C ATOM 385 C VAL A1093 4.508 5.319 -11.445 1.00 0.00 C ATOM 386 O VAL A1093 5.705 5.062 -11.529 1.00 0.00 O ATOM 387 CB VAL A1093 3.351 3.571 -12.781 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.542 3.029 -11.614 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.669 3.251 -14.101 1.00 0.00 C ATOM 0 H VAL A1093 4.813 5.028 -14.317 1.00 0.00 H new ATOM 0 HA VAL A1093 2.622 5.567 -12.478 1.00 0.00 H new ATOM 0 HB VAL A1093 4.325 3.081 -12.779 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.387 1.958 -11.745 1.00 0.00 H new ATOM 0 HG12 VAL A1093 3.081 3.207 -10.684 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.576 3.533 -11.575 1.00 0.00 H new ATOM 0 HG21 VAL A1093 2.515 2.175 -14.179 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.706 3.760 -14.146 1.00 0.00 H new ATOM 0 HG23 VAL A1093 3.296 3.589 -14.926 1.00 0.00 H new ATOM 399 N ILE A1094 3.968 5.829 -10.361 1.00 0.00 N ATOM 400 CA ILE A1094 4.754 6.024 -9.158 1.00 0.00 C ATOM 401 C ILE A1094 4.109 5.293 -7.999 1.00 0.00 C ATOM 402 O ILE A1094 2.906 5.410 -7.773 1.00 0.00 O ATOM 403 CB ILE A1094 4.912 7.514 -8.782 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.572 8.298 -9.915 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.723 7.656 -7.501 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.757 9.766 -9.600 1.00 0.00 C ATOM 0 H ILE A1094 2.992 6.116 -10.285 1.00 0.00 H new ATOM 0 HA ILE A1094 5.747 5.625 -9.364 1.00 0.00 H new ATOM 0 HB ILE A1094 3.917 7.927 -8.616 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.544 7.856 -10.135 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.966 8.201 -10.816 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.825 8.712 -7.250 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.214 7.138 -6.689 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.712 7.220 -7.646 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.231 10.263 -10.447 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.786 10.222 -9.409 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.388 9.872 -8.718 1.00 0.00 H new ATOM 418 N ILE A1095 4.900 4.522 -7.284 1.00 0.00 N ATOM 419 CA ILE A1095 4.415 3.870 -6.089 1.00 0.00 C ATOM 420 C ILE A1095 4.748 4.725 -4.881 1.00 0.00 C ATOM 421 O ILE A1095 5.919 4.974 -4.585 1.00 0.00 O ATOM 422 CB ILE A1095 5.001 2.456 -5.911 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.672 1.600 -7.137 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.465 1.812 -4.639 1.00 0.00 C ATOM 425 CD1 ILE A1095 5.018 0.137 -6.984 1.00 0.00 C ATOM 0 H ILE A1095 5.877 4.333 -7.509 1.00 0.00 H new ATOM 0 HA ILE A1095 3.335 3.758 -6.187 1.00 0.00 H new ATOM 0 HB ILE A1095 6.085 2.530 -5.818 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.607 1.689 -7.353 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.206 2.000 -7.999 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.890 0.814 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.742 2.421 -3.778 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.379 1.740 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.753 -0.397 -7.897 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.087 0.033 -6.800 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.463 -0.282 -6.144 1.00 0.00 H new ATOM 437 N VAL A1096 3.705 5.188 -4.216 1.00 0.00 N ATOM 438 CA VAL A1096 3.842 6.030 -3.042 1.00 0.00 C ATOM 439 C VAL A1096 4.411 5.220 -1.886 1.00 0.00 C ATOM 440 O VAL A1096 3.805 4.245 -1.437 1.00 0.00 O ATOM 441 CB VAL A1096 2.480 6.631 -2.637 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.611 7.476 -1.376 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.907 7.455 -3.778 1.00 0.00 C ATOM 0 H VAL A1096 2.738 4.991 -4.475 1.00 0.00 H new ATOM 0 HA VAL A1096 4.523 6.846 -3.283 1.00 0.00 H new ATOM 0 HB VAL A1096 1.794 5.811 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.637 7.888 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.976 6.855 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.313 8.290 -1.555 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.946 7.873 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.594 8.265 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.769 6.819 -4.653 1.00 0.00 H new ATOM 453 N THR A1097 5.583 5.616 -1.421 1.00 0.00 N ATOM 454 CA THR A1097 6.272 4.889 -0.376 1.00 0.00 C ATOM 455 C THR A1097 6.322 5.708 0.917 1.00 0.00 C ATOM 456 O THR A1097 6.653 5.186 1.984 1.00 0.00 O ATOM 457 CB THR A1097 7.698 4.518 -0.831 1.00 0.00 C ATOM 458 OG1 THR A1097 8.425 5.702 -1.185 1.00 0.00 O ATOM 459 CG2 THR A1097 7.656 3.577 -2.032 1.00 0.00 C ATOM 0 H THR A1097 6.078 6.443 -1.755 1.00 0.00 H new ATOM 0 HA THR A1097 5.718 3.972 -0.177 1.00 0.00 H new ATOM 0 HB THR A1097 8.197 4.014 -0.003 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.082 5.487 -1.879 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.673 3.329 -2.336 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.125 2.664 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.140 4.065 -2.859 1.00 0.00 H new ATOM 467 N GLY A1098 5.986 6.992 0.814 1.00 0.00 N ATOM 468 CA GLY A1098 5.963 7.864 1.977 1.00 0.00 C ATOM 469 C GLY A1098 5.239 9.170 1.695 1.00 0.00 C ATOM 470 O GLY A1098 4.832 9.426 0.562 1.00 0.00 O ATOM 0 H GLY A1098 5.727 7.447 -0.062 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.475 7.351 2.805 1.00 0.00 H new ATOM 0 HA3 GLY A1098 6.985 8.076 2.291 1.00 0.00 H new ATOM 474 N GLU A1099 5.081 9.998 2.719 1.00 0.00 N ATOM 475 CA GLU A1099 4.396 11.282 2.583 1.00 0.00 C ATOM 476 C GLU A1099 5.167 12.384 3.301 1.00 0.00 C ATOM 477 O GLU A1099 5.654 12.191 4.419 1.00 0.00 O ATOM 478 CB GLU A1099 2.976 11.193 3.153 1.00 0.00 C ATOM 479 CG GLU A1099 2.019 10.375 2.297 1.00 0.00 C ATOM 480 CD GLU A1099 0.651 10.217 2.935 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.207 11.145 3.646 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.014 9.157 2.741 1.00 0.00 O ATOM 0 H GLU A1099 5.420 9.803 3.661 1.00 0.00 H new ATOM 0 HA GLU A1099 4.342 11.524 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.022 10.755 4.150 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.576 12.201 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.908 10.854 1.324 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.449 9.389 2.120 1.00 0.00 H new ATOM 489 N GLU A1100 5.290 13.529 2.646 1.00 0.00 N ATOM 490 CA GLU A1100 5.936 14.690 3.241 1.00 0.00 C ATOM 491 C GLU A1100 4.920 15.780 3.527 1.00 0.00 C ATOM 492 O GLU A1100 4.860 16.320 4.629 1.00 0.00 O ATOM 493 CB GLU A1100 7.014 15.246 2.312 1.00 0.00 C ATOM 494 CG GLU A1100 8.311 14.474 2.367 1.00 0.00 C ATOM 495 CD GLU A1100 8.913 14.472 3.757 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.344 15.549 4.224 1.00 0.00 O ATOM 497 OE2 GLU A1100 8.939 13.401 4.397 1.00 0.00 O ATOM 0 H GLU A1100 4.949 13.679 1.697 1.00 0.00 H new ATOM 0 HA GLU A1100 6.396 14.369 4.175 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.639 15.240 1.288 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.208 16.286 2.574 1.00 0.00 H new ATOM 0 HG2 GLU A1100 8.135 13.447 2.047 1.00 0.00 H new ATOM 0 HG3 GLU A1100 9.022 14.910 1.665 1.00 0.00 H new ATOM 504 N ASP A1101 4.133 16.093 2.517 1.00 0.00 N ATOM 505 CA ASP A1101 3.140 17.152 2.600 1.00 0.00 C ATOM 506 C ASP A1101 1.895 16.748 1.813 1.00 0.00 C ATOM 507 O ASP A1101 1.863 15.661 1.243 1.00 0.00 O ATOM 508 CB ASP A1101 3.732 18.463 2.061 1.00 0.00 C ATOM 509 CG ASP A1101 2.788 19.639 2.194 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.471 20.024 3.336 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.330 20.162 1.160 1.00 0.00 O ATOM 0 H ASP A1101 4.162 15.621 1.613 1.00 0.00 H new ATOM 0 HA ASP A1101 2.855 17.309 3.640 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.656 18.684 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.994 18.332 1.011 1.00 0.00 H new ATOM 516 N GLN A1102 0.891 17.612 1.759 1.00 0.00 N ATOM 517 CA GLN A1102 -0.346 17.305 1.060 1.00 0.00 C ATOM 518 C GLN A1102 -0.097 17.241 -0.440 1.00 0.00 C ATOM 519 O GLN A1102 -0.729 16.463 -1.155 1.00 0.00 O ATOM 520 CB GLN A1102 -1.411 18.363 1.368 1.00 0.00 C ATOM 521 CG GLN A1102 -0.998 19.772 0.976 1.00 0.00 C ATOM 522 CD GLN A1102 -2.134 20.768 1.068 1.00 0.00 C ATOM 523 OE1 GLN A1102 -2.335 21.407 2.101 1.00 0.00 O ATOM 524 NE2 GLN A1102 -2.890 20.901 -0.009 1.00 0.00 N ATOM 0 H GLN A1102 0.911 18.535 2.193 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.707 16.335 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.331 18.104 0.844 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.635 18.342 2.435 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -0.183 20.099 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -0.613 19.761 -0.044 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -2.688 20.352 -0.845 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -3.675 21.553 -0.004 1.00 0.00 H new ATOM 533 N GLU A1103 0.851 18.047 -0.904 1.00 0.00 N ATOM 534 CA GLU A1103 1.138 18.127 -2.323 1.00 0.00 C ATOM 535 C GLU A1103 2.458 17.461 -2.631 1.00 0.00 C ATOM 536 O GLU A1103 2.923 17.483 -3.764 1.00 0.00 O ATOM 537 CB GLU A1103 1.208 19.577 -2.809 1.00 0.00 C ATOM 538 CG GLU A1103 0.010 20.431 -2.452 1.00 0.00 C ATOM 539 CD GLU A1103 -1.294 19.900 -3.013 1.00 0.00 C ATOM 540 OE1 GLU A1103 -1.487 19.962 -4.247 1.00 0.00 O ATOM 541 OE2 GLU A1103 -2.136 19.436 -2.221 1.00 0.00 O ATOM 0 H GLU A1103 1.429 18.650 -0.318 1.00 0.00 H new ATOM 0 HA GLU A1103 0.324 17.618 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A1103 2.102 20.041 -2.393 1.00 0.00 H new ATOM 0 HB3 GLU A1103 1.324 19.576 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A1103 -0.070 20.497 -1.367 1.00 0.00 H new ATOM 0 HG3 GLU A1103 0.171 21.443 -2.822 1.00 0.00 H new ATOM 548 N TRP A1104 3.057 16.868 -1.622 1.00 0.00 N ATOM 549 CA TRP A1104 4.399 16.330 -1.759 1.00 0.00 C ATOM 550 C TRP A1104 4.521 14.991 -1.068 1.00 0.00 C ATOM 551 O TRP A1104 4.602 14.909 0.156 1.00 0.00 O ATOM 552 CB TRP A1104 5.424 17.320 -1.200 1.00 0.00 C ATOM 553 CG TRP A1104 5.463 18.601 -1.974 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.733 19.730 -1.735 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.257 18.872 -3.131 1.00 0.00 C ATOM 556 NE1 TRP A1104 5.017 20.684 -2.680 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.960 20.183 -3.545 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.194 18.130 -3.856 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.567 20.766 -4.657 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.796 18.709 -4.955 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.481 20.015 -5.346 1.00 0.00 C ATOM 0 H TRP A1104 2.641 16.745 -0.699 1.00 0.00 H new ATOM 0 HA TRP A1104 4.600 16.178 -2.819 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.186 17.535 -0.158 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.413 16.861 -1.213 1.00 0.00 H new ATOM 0 HD1 TRP A1104 4.034 19.854 -0.921 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.597 21.612 -2.732 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.443 17.121 -3.561 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.325 21.773 -4.963 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.522 18.145 -5.522 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.970 20.440 -6.210 1.00 0.00 H new ATOM 572 N TRP A1105 4.527 13.943 -1.859 1.00 0.00 N ATOM 573 CA TRP A1105 4.679 12.607 -1.335 1.00 0.00 C ATOM 574 C TRP A1105 6.021 12.040 -1.754 1.00 0.00 C ATOM 575 O TRP A1105 6.700 12.596 -2.617 1.00 0.00 O ATOM 576 CB TRP A1105 3.541 11.702 -1.817 1.00 0.00 C ATOM 577 CG TRP A1105 2.208 12.027 -1.207 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.938 12.992 -0.279 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.959 11.385 -1.486 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.606 12.977 0.044 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.018 12.004 -0.685 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.571 10.347 -2.336 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.355 11.619 -0.708 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.755 9.966 -2.359 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.704 10.601 -1.549 1.00 0.00 C ATOM 0 H TRP A1105 4.428 13.992 -2.873 1.00 0.00 H new ATOM 0 HA TRP A1105 4.637 12.652 -0.247 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.462 11.779 -2.901 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.792 10.666 -1.589 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.668 13.669 0.140 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.153 13.593 0.720 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.296 9.851 -2.964 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.089 12.107 -0.084 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.066 9.165 -3.013 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.734 10.279 -1.590 1.00 0.00 H new ATOM 596 N ILE A1106 6.395 10.942 -1.136 1.00 0.00 N ATOM 597 CA ILE A1106 7.644 10.278 -1.439 1.00 0.00 C ATOM 598 C ILE A1106 7.344 8.935 -2.066 1.00 0.00 C ATOM 599 O ILE A1106 6.474 8.204 -1.597 1.00 0.00 O ATOM 600 CB ILE A1106 8.510 10.086 -0.174 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.967 11.442 0.358 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.714 9.196 -0.459 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.684 11.362 1.689 1.00 0.00 C ATOM 0 H ILE A1106 5.843 10.484 -0.410 1.00 0.00 H new ATOM 0 HA ILE A1106 8.209 10.902 -2.131 1.00 0.00 H new ATOM 0 HB ILE A1106 7.901 9.592 0.583 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.628 11.906 -0.374 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.099 12.093 0.461 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.304 9.080 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.372 8.218 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.329 9.653 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.979 12.363 2.004 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.019 10.928 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.571 10.737 1.587 1.00 0.00 H new ATOM 615 N GLY A1107 8.029 8.626 -3.143 1.00 0.00 N ATOM 616 CA GLY A1107 7.776 7.392 -3.828 1.00 0.00 C ATOM 617 C GLY A1107 8.776 7.142 -4.919 1.00 0.00 C ATOM 618 O GLY A1107 9.721 7.910 -5.089 1.00 0.00 O ATOM 0 H GLY A1107 8.757 9.209 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.804 6.568 -3.114 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.772 7.412 -4.253 1.00 0.00 H new ATOM 622 N HIS A1108 8.544 6.091 -5.674 1.00 0.00 N ATOM 623 CA HIS A1108 9.470 5.659 -6.705 1.00 0.00 C ATOM 624 C HIS A1108 8.719 5.339 -7.986 1.00 0.00 C ATOM 625 O HIS A1108 7.547 4.959 -7.947 1.00 0.00 O ATOM 626 CB HIS A1108 10.280 4.431 -6.232 1.00 0.00 C ATOM 627 CG HIS A1108 9.468 3.197 -5.927 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.560 2.512 -4.737 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.586 2.502 -6.681 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.774 1.450 -4.782 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.172 1.422 -5.951 1.00 0.00 N ATOM 0 H HIS A1108 7.710 5.510 -5.593 1.00 0.00 H new ATOM 0 HA HIS A1108 10.168 6.472 -6.904 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.012 4.182 -7.000 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.838 4.708 -5.338 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.143 2.781 -3.945 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.266 2.755 -7.681 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.647 0.726 -3.991 1.00 0.00 H new ATOM 640 N ILE A1109 9.387 5.512 -9.110 1.00 0.00 N ATOM 641 CA ILE A1109 8.837 5.123 -10.394 1.00 0.00 C ATOM 642 C ILE A1109 8.673 3.612 -10.445 1.00 0.00 C ATOM 643 O ILE A1109 9.630 2.864 -10.243 1.00 0.00 O ATOM 644 CB ILE A1109 9.740 5.591 -11.563 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.727 7.120 -11.679 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.306 4.954 -12.878 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.390 7.690 -12.104 1.00 0.00 C ATOM 0 H ILE A1109 10.319 5.923 -9.159 1.00 0.00 H new ATOM 0 HA ILE A1109 7.865 5.604 -10.505 1.00 0.00 H new ATOM 0 HB ILE A1109 10.759 5.269 -11.349 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.005 7.550 -10.717 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.487 7.427 -12.397 1.00 0.00 H new ATOM 0 HG21 ILE A1109 9.956 5.299 -13.682 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.374 3.869 -12.797 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.277 5.237 -13.097 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.460 8.776 -12.164 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.118 7.290 -13.081 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.629 7.415 -11.374 1.00 0.00 H new ATOM 659 N GLU A1110 7.453 3.171 -10.673 1.00 0.00 N ATOM 660 CA GLU A1110 7.172 1.761 -10.820 1.00 0.00 C ATOM 661 C GLU A1110 7.806 1.255 -12.109 1.00 0.00 C ATOM 662 O GLU A1110 7.622 1.844 -13.177 1.00 0.00 O ATOM 663 CB GLU A1110 5.659 1.521 -10.808 1.00 0.00 C ATOM 664 CG GLU A1110 5.254 0.154 -11.326 1.00 0.00 C ATOM 665 CD GLU A1110 3.857 -0.251 -10.917 1.00 0.00 C ATOM 666 OE1 GLU A1110 3.694 -0.787 -9.803 1.00 0.00 O ATOM 667 OE2 GLU A1110 2.920 -0.060 -11.714 1.00 0.00 O ATOM 0 H GLU A1110 6.636 3.775 -10.761 1.00 0.00 H new ATOM 0 HA GLU A1110 7.600 1.208 -9.984 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.290 1.638 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.174 2.287 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.322 0.151 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.962 -0.590 -10.960 1.00 0.00 H new ATOM 674 N GLY A1111 8.572 0.183 -11.999 1.00 0.00 N ATOM 675 CA GLY A1111 9.307 -0.327 -13.139 1.00 0.00 C ATOM 676 C GLY A1111 10.734 0.187 -13.170 1.00 0.00 C ATOM 677 O GLY A1111 11.576 -0.334 -13.904 1.00 0.00 O ATOM 0 H GLY A1111 8.699 -0.347 -11.137 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.315 -1.417 -13.108 1.00 0.00 H new ATOM 0 HA3 GLY A1111 8.797 -0.038 -14.058 1.00 0.00 H new ATOM 681 N GLN A1112 11.008 1.206 -12.366 1.00 0.00 N ATOM 682 CA GLN A1112 12.357 1.738 -12.228 1.00 0.00 C ATOM 683 C GLN A1112 12.498 2.403 -10.861 1.00 0.00 C ATOM 684 O GLN A1112 12.460 3.628 -10.741 1.00 0.00 O ATOM 685 CB GLN A1112 12.667 2.730 -13.352 1.00 0.00 C ATOM 686 CG GLN A1112 14.139 3.100 -13.442 1.00 0.00 C ATOM 687 CD GLN A1112 14.444 4.000 -14.623 1.00 0.00 C ATOM 688 OE1 GLN A1112 14.401 5.221 -14.513 1.00 0.00 O ATOM 689 NE2 GLN A1112 14.744 3.401 -15.762 1.00 0.00 N ATOM 0 H GLN A1112 10.309 1.683 -11.796 1.00 0.00 H new ATOM 0 HA GLN A1112 13.075 0.921 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.349 2.302 -14.303 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.081 3.636 -13.199 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.441 3.600 -12.522 1.00 0.00 H new ATOM 0 HG3 GLN A1112 14.734 2.190 -13.520 1.00 0.00 H new ATOM 0 HE21 GLN A1112 14.769 2.383 -15.811 1.00 0.00 H new ATOM 0 HE22 GLN A1112 14.951 3.957 -16.592 1.00 0.00 H new ATOM 698 N PRO A1113 12.683 1.586 -9.811 1.00 0.00 N ATOM 699 CA PRO A1113 12.623 2.040 -8.417 1.00 0.00 C ATOM 700 C PRO A1113 13.812 2.904 -8.011 1.00 0.00 C ATOM 701 O PRO A1113 13.875 3.399 -6.887 1.00 0.00 O ATOM 702 CB PRO A1113 12.612 0.739 -7.604 1.00 0.00 C ATOM 703 CG PRO A1113 12.456 -0.369 -8.595 1.00 0.00 C ATOM 704 CD PRO A1113 12.977 0.152 -9.897 1.00 0.00 C ATOM 0 HA PRO A1113 11.751 2.673 -8.252 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.536 0.627 -7.036 1.00 0.00 H new ATOM 0 HB3 PRO A1113 11.793 0.736 -6.884 1.00 0.00 H new ATOM 0 HG2 PRO A1113 13.011 -1.253 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.411 -0.665 -8.685 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.045 -0.036 -10.010 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.479 -0.313 -10.748 1.00 0.00 H new ATOM 712 N GLU A1114 14.751 3.083 -8.925 1.00 0.00 N ATOM 713 CA GLU A1114 15.906 3.927 -8.667 1.00 0.00 C ATOM 714 C GLU A1114 15.563 5.389 -8.915 1.00 0.00 C ATOM 715 O GLU A1114 16.303 6.290 -8.521 1.00 0.00 O ATOM 716 CB GLU A1114 17.100 3.483 -9.511 1.00 0.00 C ATOM 717 CG GLU A1114 17.619 2.113 -9.112 1.00 0.00 C ATOM 718 CD GLU A1114 17.910 2.025 -7.625 1.00 0.00 C ATOM 719 OE1 GLU A1114 19.020 2.414 -7.210 1.00 0.00 O ATOM 720 OE2 GLU A1114 17.026 1.589 -6.861 1.00 0.00 O ATOM 0 H GLU A1114 14.737 2.656 -9.851 1.00 0.00 H new ATOM 0 HA GLU A1114 16.186 3.822 -7.619 1.00 0.00 H new ATOM 0 HB2 GLU A1114 16.811 3.466 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A1114 17.902 4.214 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A1114 16.885 1.354 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.527 1.892 -9.673 1.00 0.00 H new ATOM 727 N ARG A1115 14.428 5.609 -9.562 1.00 0.00 N ATOM 728 CA ARG A1115 13.866 6.940 -9.694 1.00 0.00 C ATOM 729 C ARG A1115 12.915 7.189 -8.537 1.00 0.00 C ATOM 730 O ARG A1115 11.746 6.815 -8.610 1.00 0.00 O ATOM 731 CB ARG A1115 13.086 7.093 -11.002 1.00 0.00 C ATOM 732 CG ARG A1115 13.906 7.496 -12.214 1.00 0.00 C ATOM 733 CD ARG A1115 12.978 7.797 -13.386 1.00 0.00 C ATOM 734 NE ARG A1115 13.685 8.263 -14.577 1.00 0.00 N ATOM 735 CZ ARG A1115 13.069 8.696 -15.680 1.00 0.00 C ATOM 736 NH1 ARG A1115 11.741 8.684 -15.756 1.00 0.00 N ATOM 737 NH2 ARG A1115 13.775 9.130 -16.714 1.00 0.00 N ATOM 0 H ARG A1115 13.876 4.875 -10.006 1.00 0.00 H new ATOM 0 HA ARG A1115 14.687 7.657 -9.692 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.590 6.147 -11.220 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.303 7.837 -10.852 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.510 8.373 -11.981 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.596 6.696 -12.481 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.415 6.898 -13.635 1.00 0.00 H new ATOM 0 HD3 ARG A1115 12.254 8.553 -13.082 1.00 0.00 H new ATOM 0 HE ARG A1115 14.705 8.257 -14.565 1.00 0.00 H new ATOM 0 HH11 ARG A1115 11.188 8.343 -14.970 1.00 0.00 H new ATOM 0 HH12 ARG A1115 11.275 9.016 -16.601 1.00 0.00 H new ATOM 0 HH21 ARG A1115 14.794 9.134 -16.670 1.00 0.00 H new ATOM 0 HH22 ARG A1115 13.299 9.460 -17.554 1.00 0.00 H new ATOM 751 N LYS A1116 13.399 7.789 -7.467 1.00 0.00 N ATOM 752 CA LYS A1116 12.537 8.051 -6.325 1.00 0.00 C ATOM 753 C LYS A1116 12.927 9.307 -5.564 1.00 0.00 C ATOM 754 O LYS A1116 14.046 9.810 -5.685 1.00 0.00 O ATOM 755 CB LYS A1116 12.492 6.844 -5.387 1.00 0.00 C ATOM 756 CG LYS A1116 13.841 6.313 -4.946 1.00 0.00 C ATOM 757 CD LYS A1116 13.664 5.034 -4.146 1.00 0.00 C ATOM 758 CE LYS A1116 14.997 4.389 -3.792 1.00 0.00 C ATOM 759 NZ LYS A1116 15.821 4.121 -4.996 1.00 0.00 N ATOM 0 H LYS A1116 14.365 8.100 -7.362 1.00 0.00 H new ATOM 0 HA LYS A1116 11.538 8.225 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A1116 11.920 7.116 -4.500 1.00 0.00 H new ATOM 0 HB3 LYS A1116 11.948 6.040 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A1116 14.468 6.122 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.355 7.061 -4.342 1.00 0.00 H new ATOM 0 HD2 LYS A1116 13.114 5.253 -3.231 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.062 4.329 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.547 5.042 -3.114 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.818 3.455 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 16.515 3.377 -4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.207 3.808 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 16.320 4.990 -5.276 1.00 0.00 H new ATOM 773 N GLY A1117 11.980 9.799 -4.780 1.00 0.00 N ATOM 774 CA GLY A1117 12.168 11.025 -4.037 1.00 0.00 C ATOM 775 C GLY A1117 10.834 11.674 -3.744 1.00 0.00 C ATOM 776 O GLY A1117 9.845 10.973 -3.518 1.00 0.00 O ATOM 0 H GLY A1117 11.069 9.361 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.690 10.815 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.796 11.710 -4.607 1.00 0.00 H new ATOM 780 N VAL A1118 10.788 12.997 -3.764 1.00 0.00 N ATOM 781 CA VAL A1118 9.532 13.705 -3.556 1.00 0.00 C ATOM 782 C VAL A1118 8.880 14.043 -4.892 1.00 0.00 C ATOM 783 O VAL A1118 9.564 14.374 -5.863 1.00 0.00 O ATOM 784 CB VAL A1118 9.710 15.001 -2.734 1.00 0.00 C ATOM 785 CG1 VAL A1118 10.146 14.681 -1.316 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.697 15.952 -3.399 1.00 0.00 C ATOM 0 H VAL A1118 11.597 13.599 -3.920 1.00 0.00 H new ATOM 0 HA VAL A1118 8.889 13.033 -2.987 1.00 0.00 H new ATOM 0 HB VAL A1118 8.743 15.503 -2.694 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.266 15.607 -0.754 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.391 14.060 -0.835 1.00 0.00 H new ATOM 0 HG13 VAL A1118 11.095 14.146 -1.339 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.798 16.853 -2.794 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.668 15.464 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.332 16.220 -4.391 1.00 0.00 H new ATOM 796 N PHE A1119 7.562 13.937 -4.945 1.00 0.00 N ATOM 797 CA PHE A1119 6.819 14.267 -6.151 1.00 0.00 C ATOM 798 C PHE A1119 5.503 14.953 -5.801 1.00 0.00 C ATOM 799 O PHE A1119 4.844 14.595 -4.821 1.00 0.00 O ATOM 800 CB PHE A1119 6.572 13.013 -7.005 1.00 0.00 C ATOM 801 CG PHE A1119 5.844 11.893 -6.309 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.520 11.022 -5.471 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.487 11.693 -6.516 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.860 9.982 -4.856 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.824 10.650 -5.895 1.00 0.00 C ATOM 806 CZ PHE A1119 4.516 9.795 -5.065 1.00 0.00 C ATOM 0 H PHE A1119 6.983 13.624 -4.165 1.00 0.00 H new ATOM 0 HA PHE A1119 7.419 14.961 -6.740 1.00 0.00 H new ATOM 0 HB2 PHE A1119 6.002 13.301 -7.888 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.533 12.637 -7.355 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.577 11.160 -5.298 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.942 12.359 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.402 9.310 -4.206 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.766 10.506 -6.060 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.002 8.979 -4.579 1.00 0.00 H new ATOM 816 N PRO A1120 5.126 15.975 -6.586 1.00 0.00 N ATOM 817 CA PRO A1120 3.895 16.729 -6.364 1.00 0.00 C ATOM 818 C PRO A1120 2.642 15.905 -6.650 1.00 0.00 C ATOM 819 O PRO A1120 2.482 15.339 -7.734 1.00 0.00 O ATOM 820 CB PRO A1120 4.005 17.906 -7.334 1.00 0.00 C ATOM 821 CG PRO A1120 4.954 17.461 -8.392 1.00 0.00 C ATOM 822 CD PRO A1120 5.888 16.479 -7.744 1.00 0.00 C ATOM 0 HA PRO A1120 3.794 17.035 -5.323 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.033 18.157 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.372 18.799 -6.828 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.420 16.998 -9.222 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.505 18.308 -8.800 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.157 15.673 -8.427 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.817 16.957 -7.433 1.00 0.00 H new ATOM 830 N VAL A1121 1.751 15.863 -5.669 1.00 0.00 N ATOM 831 CA VAL A1121 0.542 15.050 -5.745 1.00 0.00 C ATOM 832 C VAL A1121 -0.455 15.633 -6.747 1.00 0.00 C ATOM 833 O VAL A1121 -1.234 14.907 -7.362 1.00 0.00 O ATOM 834 CB VAL A1121 -0.126 14.933 -4.358 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.284 13.947 -4.380 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.896 14.525 -3.314 1.00 0.00 C ATOM 0 H VAL A1121 1.844 16.389 -4.800 1.00 0.00 H new ATOM 0 HA VAL A1121 0.837 14.057 -6.085 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.528 15.912 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.731 13.889 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.034 14.282 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.918 12.962 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.411 14.446 -2.341 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.327 13.561 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.686 15.274 -3.266 1.00 0.00 H new ATOM 846 N SER A1122 -0.403 16.944 -6.930 1.00 0.00 N ATOM 847 CA SER A1122 -1.292 17.625 -7.860 1.00 0.00 C ATOM 848 C SER A1122 -0.865 17.390 -9.313 1.00 0.00 C ATOM 849 O SER A1122 -1.450 17.947 -10.242 1.00 0.00 O ATOM 850 CB SER A1122 -1.313 19.119 -7.535 1.00 0.00 C ATOM 851 OG SER A1122 -0.332 19.434 -6.552 1.00 0.00 O ATOM 0 H SER A1122 0.249 17.560 -6.444 1.00 0.00 H new ATOM 0 HA SER A1122 -2.297 17.217 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.126 19.696 -8.441 1.00 0.00 H new ATOM 0 HB3 SER A1122 -2.301 19.404 -7.174 1.00 0.00 H new ATOM 0 HG SER A1122 -0.769 19.827 -5.768 1.00 0.00 H new ATOM 857 N PHE A1123 0.156 16.563 -9.502 1.00 0.00 N ATOM 858 CA PHE A1123 0.650 16.240 -10.837 1.00 0.00 C ATOM 859 C PHE A1123 0.389 14.776 -11.181 1.00 0.00 C ATOM 860 O PHE A1123 0.719 14.317 -12.277 1.00 0.00 O ATOM 861 CB PHE A1123 2.152 16.529 -10.936 1.00 0.00 C ATOM 862 CG PHE A1123 2.496 17.979 -11.144 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.163 18.939 -10.201 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.168 18.375 -12.287 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.494 20.267 -10.397 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.500 19.699 -12.490 1.00 0.00 C ATOM 867 CZ PHE A1123 3.162 20.648 -11.543 1.00 0.00 C ATOM 0 H PHE A1123 0.660 16.102 -8.745 1.00 0.00 H new ATOM 0 HA PHE A1123 0.113 16.867 -11.549 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.637 16.181 -10.024 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.567 15.948 -11.760 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.639 18.646 -9.303 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.436 17.638 -13.030 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.230 21.005 -9.654 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.023 19.994 -13.388 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.420 21.685 -11.700 1.00 0.00 H new ATOM 877 N VAL A1124 -0.211 14.045 -10.252 1.00 0.00 N ATOM 878 CA VAL A1124 -0.416 12.612 -10.430 1.00 0.00 C ATOM 879 C VAL A1124 -1.887 12.235 -10.279 1.00 0.00 C ATOM 880 O VAL A1124 -2.656 12.944 -9.630 1.00 0.00 O ATOM 881 CB VAL A1124 0.427 11.792 -9.426 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.906 12.102 -9.583 1.00 0.00 C ATOM 883 CG2 VAL A1124 -0.019 12.048 -7.994 1.00 0.00 C ATOM 0 H VAL A1124 -0.564 14.417 -9.370 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.092 12.373 -11.443 1.00 0.00 H new ATOM 0 HB VAL A1124 0.269 10.736 -9.647 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.479 11.514 -8.866 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.225 11.852 -10.595 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.077 13.163 -9.400 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.592 11.458 -7.311 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.096 13.107 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -1.065 11.764 -7.882 1.00 0.00 H new ATOM 893 N HIS A1125 -2.272 11.123 -10.895 1.00 0.00 N ATOM 894 CA HIS A1125 -3.629 10.613 -10.779 1.00 0.00 C ATOM 895 C HIS A1125 -3.602 9.363 -9.915 1.00 0.00 C ATOM 896 O HIS A1125 -3.143 8.317 -10.349 1.00 0.00 O ATOM 897 CB HIS A1125 -4.195 10.293 -12.166 1.00 0.00 C ATOM 898 CG HIS A1125 -5.681 10.427 -12.267 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.298 11.218 -13.212 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.677 9.866 -11.544 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.603 11.137 -13.066 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.861 10.323 -12.064 1.00 0.00 N ATOM 0 H HIS A1125 -1.659 10.557 -11.482 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.271 11.364 -10.319 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.731 10.955 -12.897 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.914 9.275 -12.435 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.562 9.186 -10.713 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.338 11.651 -13.667 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.791 10.073 -11.729 1.00 0.00 H new ATOM 911 N ILE A1126 -4.076 9.483 -8.694 1.00 0.00 N ATOM 912 CA ILE A1126 -3.926 8.425 -7.704 1.00 0.00 C ATOM 913 C ILE A1126 -4.897 7.277 -7.937 1.00 0.00 C ATOM 914 O ILE A1126 -6.088 7.478 -8.180 1.00 0.00 O ATOM 915 CB ILE A1126 -4.136 8.978 -6.282 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.249 10.207 -6.067 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.847 7.906 -5.233 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.391 10.825 -4.700 1.00 0.00 C ATOM 0 H ILE A1126 -4.573 10.307 -8.356 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.911 8.042 -7.809 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.179 9.275 -6.171 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.208 9.924 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.491 10.956 -6.821 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.002 8.320 -4.237 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.518 7.060 -5.383 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.814 7.571 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -2.733 11.690 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.423 11.140 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.120 10.093 -3.940 1.00 0.00 H new ATOM 930 N LEU A1127 -4.363 6.073 -7.863 1.00 0.00 N ATOM 931 CA LEU A1127 -5.160 4.870 -7.905 1.00 0.00 C ATOM 932 C LEU A1127 -5.038 4.161 -6.570 1.00 0.00 C ATOM 933 O LEU A1127 -3.929 3.945 -6.076 1.00 0.00 O ATOM 934 CB LEU A1127 -4.705 3.921 -9.026 1.00 0.00 C ATOM 935 CG LEU A1127 -3.458 4.349 -9.803 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.786 3.141 -10.434 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.830 5.354 -10.878 1.00 0.00 C ATOM 0 H LEU A1127 -3.361 5.905 -7.772 1.00 0.00 H new ATOM 0 HA LEU A1127 -6.194 5.150 -8.106 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -4.518 2.939 -8.590 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -5.527 3.805 -9.732 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.760 4.815 -9.107 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.901 3.462 -10.983 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -2.494 2.438 -9.654 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -3.481 2.654 -11.119 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.935 5.651 -11.424 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.542 4.902 -11.568 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.281 6.232 -10.415 1.00 0.00 H new ATOM 949 N SER A1128 -6.162 3.805 -5.984 1.00 0.00 N ATOM 950 CA SER A1128 -6.164 3.032 -4.758 1.00 0.00 C ATOM 951 C SER A1128 -5.949 1.555 -5.085 1.00 0.00 C ATOM 952 O SER A1128 -6.631 0.670 -4.567 1.00 0.00 O ATOM 953 CB SER A1128 -7.478 3.265 -4.019 1.00 0.00 C ATOM 954 OG SER A1128 -8.563 3.335 -4.932 1.00 0.00 O ATOM 0 H SER A1128 -7.090 4.039 -6.338 1.00 0.00 H new ATOM 0 HA SER A1128 -5.350 3.350 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A1128 -7.648 2.458 -3.306 1.00 0.00 H new ATOM 0 HB3 SER A1128 -7.419 4.190 -3.445 1.00 0.00 H new ATOM 0 HG SER A1128 -9.397 3.483 -4.439 1.00 0.00 H new ATOM 960 N ASP A1129 -4.982 1.322 -5.963 1.00 0.00 N ATOM 961 CA ASP A1129 -4.685 0.001 -6.490 1.00 0.00 C ATOM 962 C ASP A1129 -4.015 -0.867 -5.436 1.00 0.00 C ATOM 963 O ASP A1129 -2.880 -0.540 -5.025 1.00 0.00 O ATOM 964 CB ASP A1129 -3.787 0.133 -7.721 1.00 0.00 C ATOM 965 CG ASP A1129 -3.456 -1.200 -8.353 1.00 0.00 C ATOM 966 OD1 ASP A1129 -4.370 -1.838 -8.916 1.00 0.00 O ATOM 967 OD2 ASP A1129 -2.281 -1.608 -8.308 1.00 0.00 O ATOM 968 OXT ASP A1129 -4.630 -1.871 -5.018 1.00 0.00 O ATOM 0 H ASP A1129 -4.376 2.055 -6.332 1.00 0.00 H new ATOM 0 HA ASP A1129 -5.620 -0.481 -6.775 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -4.280 0.766 -8.458 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -2.862 0.635 -7.438 1.00 0.00 H new TER 973 ASP A1129