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: A1122 SER OG : rot -105:sc= 1.19 USER MOD Set 1.2: B1587 SER OG : rot 158:sc= 1.05 USER MOD Single : A1073 LYS NZ :NH3+ -169:sc= 0.848 (180deg=0.451) USER MOD Single : A1074 THR OG1 : rot 152:sc= 1.39 USER MOD Single : A1076 TYR OH : rot -32:sc= -1.56 USER MOD Single : A1078 CYS SG : rot 103:sc= -1.65 USER MOD Single : A1079 GLN : amide:sc= -1.05 K(o=-1.1,f=0) USER MOD Single : A1082 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.8!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.966 USER MOD Single : A1097 THR OG1 : rot -153:sc= -2.17! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.16) USER MOD Single : A1112 GLN : amide:sc= -0.0384 K(o=-0.038,f=-0.98) USER MOD Single : A1116 LYS NZ :NH3+ 171:sc= 1.24 (180deg=0.974) USER MOD Single : A1125 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A1128 SER OG : rot -43:sc= 0.157 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 -168:sc= -2.82 (180deg=-2.9) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 179:sc= 1.89 (180deg=1.85) USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ 179:sc= 1.92 (180deg=1.9) USER MOD Single : B1592 LYS NZ :NH3+ -163:sc= 1.15 (180deg=0.865) USER MOD Single : B1593 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B1596 GLN : amide:sc= -0.0357 K(o=-0.036,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -0.672 0.544 -1.559 1.00 0.00 N ATOM 2 CA VAL A1069 0.051 0.947 -0.334 1.00 0.00 C ATOM 3 C VAL A1069 1.473 1.367 -0.663 1.00 0.00 C ATOM 4 O VAL A1069 2.056 0.915 -1.648 1.00 0.00 O ATOM 5 CB VAL A1069 0.089 -0.185 0.719 1.00 0.00 C ATOM 6 CG1 VAL A1069 -1.310 -0.511 1.216 1.00 0.00 C ATOM 7 CG2 VAL A1069 0.754 -1.431 0.157 1.00 0.00 C ATOM 0 HA VAL A1069 -0.496 1.790 0.088 1.00 0.00 H new ATOM 0 HB VAL A1069 0.681 0.168 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -1.256 -1.310 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -1.750 0.376 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -1.928 -0.833 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A1069 0.767 -2.211 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A1069 0.196 -1.781 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A1069 1.776 -1.196 -0.139 1.00 0.00 H new ATOM 19 N ARG A1070 2.017 2.241 0.161 1.00 0.00 N ATOM 20 CA ARG A1070 3.363 2.753 -0.026 1.00 0.00 C ATOM 21 C ARG A1070 4.053 2.830 1.331 1.00 0.00 C ATOM 22 O ARG A1070 3.391 2.781 2.356 1.00 0.00 O ATOM 23 CB ARG A1070 3.297 4.128 -0.699 1.00 0.00 C ATOM 24 CG ARG A1070 4.624 4.615 -1.251 1.00 0.00 C ATOM 25 CD ARG A1070 4.424 5.758 -2.231 1.00 0.00 C ATOM 26 NE ARG A1070 3.451 5.417 -3.269 1.00 0.00 N ATOM 27 CZ ARG A1070 3.688 5.494 -4.575 1.00 0.00 C ATOM 28 NH1 ARG A1070 4.880 5.859 -5.025 1.00 0.00 N ATOM 29 NH2 ARG A1070 2.728 5.194 -5.437 1.00 0.00 N ATOM 0 H ARG A1070 1.539 2.617 0.980 1.00 0.00 H new ATOM 0 HA ARG A1070 3.939 2.090 -0.672 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.571 4.088 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.928 4.856 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A1070 5.264 4.943 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.138 3.792 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.087 6.644 -1.693 1.00 0.00 H new ATOM 0 HD3 ARG A1070 5.377 6.011 -2.695 1.00 0.00 H new ATOM 0 HE ARG A1070 2.529 5.099 -2.971 1.00 0.00 H new ATOM 0 HH11 ARG A1070 5.626 6.084 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A1070 5.051 5.915 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A1070 1.810 4.905 -5.098 1.00 0.00 H new ATOM 0 HH22 ARG A1070 2.906 5.252 -6.440 1.00 0.00 H new ATOM 43 N ARG A1071 5.369 2.901 1.357 1.00 0.00 N ATOM 44 CA ARG A1071 6.078 2.960 2.627 1.00 0.00 C ATOM 45 C ARG A1071 6.915 4.228 2.734 1.00 0.00 C ATOM 46 O ARG A1071 7.652 4.584 1.814 1.00 0.00 O ATOM 47 CB ARG A1071 6.953 1.719 2.794 1.00 0.00 C ATOM 48 CG ARG A1071 7.587 1.574 4.166 1.00 0.00 C ATOM 49 CD ARG A1071 8.227 0.206 4.302 1.00 0.00 C ATOM 50 NE ARG A1071 8.781 -0.044 5.629 1.00 0.00 N ATOM 51 CZ ARG A1071 8.812 -1.251 6.200 1.00 0.00 C ATOM 52 NH1 ARG A1071 8.336 -2.309 5.547 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.333 -1.404 7.411 1.00 0.00 N ATOM 0 H ARG A1071 5.965 2.919 0.529 1.00 0.00 H new ATOM 0 HA ARG A1071 5.342 2.984 3.430 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.349 0.834 2.592 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.743 1.744 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A1071 8.337 2.351 4.313 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.832 1.710 4.940 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.484 -0.559 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A1071 9.020 0.108 3.561 1.00 0.00 H new ATOM 0 HE ARG A1071 9.165 0.745 6.148 1.00 0.00 H new ATOM 0 HH11 ARG A1071 7.948 -2.198 4.610 1.00 0.00 H new ATOM 0 HH12 ARG A1071 8.360 -3.231 5.983 1.00 0.00 H new ATOM 0 HH21 ARG A1071 9.711 -0.598 7.909 1.00 0.00 H new ATOM 0 HH22 ARG A1071 9.355 -2.327 7.844 1.00 0.00 H new ATOM 67 N VAL A1072 6.762 4.919 3.853 1.00 0.00 N ATOM 68 CA VAL A1072 7.560 6.097 4.159 1.00 0.00 C ATOM 69 C VAL A1072 8.139 5.955 5.566 1.00 0.00 C ATOM 70 O VAL A1072 7.492 5.394 6.454 1.00 0.00 O ATOM 71 CB VAL A1072 6.726 7.399 4.074 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.170 7.592 2.673 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.595 7.397 5.091 1.00 0.00 C ATOM 0 H VAL A1072 6.082 4.680 4.574 1.00 0.00 H new ATOM 0 HA VAL A1072 8.358 6.166 3.420 1.00 0.00 H new ATOM 0 HB VAL A1072 7.391 8.231 4.305 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.588 8.513 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A1072 6.993 7.654 1.961 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.530 6.748 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.028 8.324 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.936 6.550 4.901 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.009 7.316 6.096 1.00 0.00 H new ATOM 83 N LYS A1073 9.355 6.427 5.767 1.00 0.00 N ATOM 84 CA LYS A1073 9.970 6.379 7.085 1.00 0.00 C ATOM 85 C LYS A1073 10.101 7.794 7.613 1.00 0.00 C ATOM 86 O LYS A1073 10.568 8.688 6.905 1.00 0.00 O ATOM 87 CB LYS A1073 11.340 5.690 7.019 1.00 0.00 C ATOM 88 CG LYS A1073 11.846 5.135 8.351 1.00 0.00 C ATOM 89 CD LYS A1073 12.403 6.211 9.274 1.00 0.00 C ATOM 90 CE LYS A1073 13.647 6.870 8.696 1.00 0.00 C ATOM 91 NZ LYS A1073 14.280 7.816 9.656 1.00 0.00 N ATOM 0 H LYS A1073 9.936 6.846 5.041 1.00 0.00 H new ATOM 0 HA LYS A1073 9.344 5.797 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.286 4.873 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.071 6.403 6.638 1.00 0.00 H new ATOM 0 HG2 LYS A1073 11.030 4.618 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.621 4.394 8.158 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.640 6.969 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.643 5.770 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.368 6.101 8.418 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.382 7.404 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.005 8.376 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.555 8.453 10.045 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.722 7.281 10.430 1.00 0.00 H new ATOM 105 N THR A1074 9.677 8.000 8.841 1.00 0.00 N ATOM 106 CA THR A1074 9.695 9.318 9.432 1.00 0.00 C ATOM 107 C THR A1074 11.121 9.740 9.736 1.00 0.00 C ATOM 108 O THR A1074 11.856 9.029 10.420 1.00 0.00 O ATOM 109 CB THR A1074 8.859 9.349 10.718 1.00 0.00 C ATOM 110 OG1 THR A1074 9.436 8.473 11.680 1.00 0.00 O ATOM 111 CG2 THR A1074 7.432 8.908 10.443 1.00 0.00 C ATOM 0 H THR A1074 9.314 7.267 9.451 1.00 0.00 H new ATOM 0 HA THR A1074 9.261 10.016 8.716 1.00 0.00 H new ATOM 0 HB THR A1074 8.847 10.371 11.097 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.231 8.797 12.582 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.857 8.938 11.369 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.978 9.578 9.713 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.435 7.891 10.050 1.00 0.00 H new ATOM 119 N ILE A1075 11.518 10.883 9.208 1.00 0.00 N ATOM 120 CA ILE A1075 12.867 11.378 9.413 1.00 0.00 C ATOM 121 C ILE A1075 12.857 12.538 10.380 1.00 0.00 C ATOM 122 O ILE A1075 13.863 13.222 10.587 1.00 0.00 O ATOM 123 CB ILE A1075 13.522 11.812 8.100 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.571 12.662 7.259 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.981 10.597 7.323 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.227 13.277 6.041 1.00 0.00 C ATOM 0 H ILE A1075 10.927 11.485 8.635 1.00 0.00 H new ATOM 0 HA ILE A1075 13.453 10.558 9.827 1.00 0.00 H new ATOM 0 HB ILE A1075 14.389 12.427 8.339 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.733 12.044 6.937 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.161 13.457 7.881 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.446 10.916 6.390 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.704 10.038 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.124 9.961 7.102 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.493 13.867 5.491 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.048 13.921 6.356 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.613 12.486 5.397 1.00 0.00 H new ATOM 138 N TYR A1076 11.700 12.724 10.979 1.00 0.00 N ATOM 139 CA TYR A1076 11.439 13.831 11.876 1.00 0.00 C ATOM 140 C TYR A1076 10.286 13.503 12.808 1.00 0.00 C ATOM 141 O TYR A1076 9.535 12.553 12.581 1.00 0.00 O ATOM 142 CB TYR A1076 11.064 15.093 11.101 1.00 0.00 C ATOM 143 CG TYR A1076 12.167 15.707 10.277 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.155 16.470 10.873 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.194 15.560 8.895 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.132 17.074 10.118 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.175 16.152 8.136 1.00 0.00 C ATOM 148 CZ TYR A1076 14.135 16.912 8.749 1.00 0.00 C ATOM 149 OH TYR A1076 15.106 17.521 7.996 1.00 0.00 O ATOM 0 H TYR A1076 10.902 12.101 10.855 1.00 0.00 H new ATOM 0 HA TYR A1076 12.353 14.002 12.444 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.230 14.857 10.440 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.707 15.840 11.810 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.159 16.593 11.946 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.431 14.970 8.409 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.894 17.673 10.595 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.189 16.019 7.064 1.00 0.00 H new ATOM 0 HH TYR A1076 15.366 18.366 8.419 1.00 0.00 H new ATOM 159 N ASP A1077 10.152 14.318 13.841 1.00 0.00 N ATOM 160 CA ASP A1077 9.034 14.229 14.766 1.00 0.00 C ATOM 161 C ASP A1077 8.016 15.307 14.427 1.00 0.00 C ATOM 162 O ASP A1077 8.333 16.495 14.439 1.00 0.00 O ATOM 163 CB ASP A1077 9.508 14.407 16.213 1.00 0.00 C ATOM 164 CG ASP A1077 10.327 13.237 16.722 1.00 0.00 C ATOM 165 OD1 ASP A1077 11.320 12.869 16.067 1.00 0.00 O ATOM 166 OD2 ASP A1077 9.982 12.684 17.787 1.00 0.00 O ATOM 0 H ASP A1077 10.815 15.060 14.062 1.00 0.00 H new ATOM 0 HA ASP A1077 8.579 13.243 14.672 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.104 15.317 16.284 1.00 0.00 H new ATOM 0 HB3 ASP A1077 8.640 14.543 16.859 1.00 0.00 H new ATOM 171 N CYS A1078 6.802 14.897 14.123 1.00 0.00 N ATOM 172 CA CYS A1078 5.767 15.831 13.717 1.00 0.00 C ATOM 173 C CYS A1078 4.510 15.603 14.525 1.00 0.00 C ATOM 174 O CYS A1078 4.195 14.472 14.887 1.00 0.00 O ATOM 175 CB CYS A1078 5.449 15.680 12.231 1.00 0.00 C ATOM 176 SG CYS A1078 4.160 16.799 11.632 1.00 0.00 S ATOM 0 H CYS A1078 6.505 13.921 14.149 1.00 0.00 H new ATOM 0 HA CYS A1078 6.137 16.841 13.897 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.359 15.852 11.657 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.140 14.652 12.039 1.00 0.00 H new ATOM 0 HG CYS A1078 4.706 17.775 10.969 1.00 0.00 H new ATOM 182 N GLN A1079 3.788 16.673 14.795 1.00 0.00 N ATOM 183 CA GLN A1079 2.564 16.564 15.576 1.00 0.00 C ATOM 184 C GLN A1079 1.361 17.143 14.842 1.00 0.00 C ATOM 185 O GLN A1079 1.446 18.165 14.152 1.00 0.00 O ATOM 186 CB GLN A1079 2.742 17.218 16.943 1.00 0.00 C ATOM 187 CG GLN A1079 1.484 17.223 17.802 1.00 0.00 C ATOM 188 CD GLN A1079 1.693 17.889 19.150 1.00 0.00 C ATOM 189 OE1 GLN A1079 0.763 18.463 19.721 1.00 0.00 O ATOM 190 NE2 GLN A1079 2.911 17.822 19.669 1.00 0.00 N ATOM 0 H GLN A1079 4.021 17.618 14.491 1.00 0.00 H new ATOM 0 HA GLN A1079 2.363 15.503 15.723 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.534 16.698 17.482 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.075 18.246 16.801 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.687 17.739 17.267 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.152 16.197 17.957 1.00 0.00 H new ATOM 0 HE21 GLN A1079 3.654 17.338 19.165 1.00 0.00 H new ATOM 0 HE22 GLN A1079 3.105 18.255 20.572 1.00 0.00 H new ATOM 199 N ALA A1080 0.248 16.455 15.011 1.00 0.00 N ATOM 200 CA ALA A1080 -1.010 16.771 14.350 1.00 0.00 C ATOM 201 C ALA A1080 -1.646 18.049 14.885 1.00 0.00 C ATOM 202 O ALA A1080 -1.519 18.379 16.065 1.00 0.00 O ATOM 203 CB ALA A1080 -1.966 15.609 14.547 1.00 0.00 C ATOM 0 H ALA A1080 0.189 15.642 15.625 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.803 16.934 13.292 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.914 15.831 14.057 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.536 14.706 14.113 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.136 15.454 15.613 1.00 0.00 H new ATOM 209 N ASP A1081 -2.311 18.773 13.990 1.00 0.00 N ATOM 210 CA ASP A1081 -3.133 19.919 14.367 1.00 0.00 C ATOM 211 C ASP A1081 -4.584 19.478 14.475 1.00 0.00 C ATOM 212 O ASP A1081 -5.293 19.821 15.425 1.00 0.00 O ATOM 213 CB ASP A1081 -3.003 21.041 13.333 1.00 0.00 C ATOM 214 CG ASP A1081 -3.894 22.228 13.640 1.00 0.00 C ATOM 215 OD1 ASP A1081 -3.810 22.770 14.760 1.00 0.00 O ATOM 216 OD2 ASP A1081 -4.678 22.637 12.755 1.00 0.00 O ATOM 0 H ASP A1081 -2.296 18.584 12.988 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.791 20.301 15.329 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -1.965 21.372 13.292 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -3.253 20.651 12.346 1.00 0.00 H new ATOM 221 N ASN A1082 -5.013 18.718 13.479 1.00 0.00 N ATOM 222 CA ASN A1082 -6.304 18.046 13.525 1.00 0.00 C ATOM 223 C ASN A1082 -6.114 16.650 14.086 1.00 0.00 C ATOM 224 O ASN A1082 -5.023 16.087 14.013 1.00 0.00 O ATOM 225 CB ASN A1082 -6.930 17.929 12.131 1.00 0.00 C ATOM 226 CG ASN A1082 -7.312 19.260 11.513 1.00 0.00 C ATOM 227 OD1 ASN A1082 -7.278 19.412 10.293 1.00 0.00 O ATOM 228 ND2 ASN A1082 -7.702 20.222 12.335 1.00 0.00 N ATOM 0 H ASN A1082 -4.483 18.550 12.624 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.969 18.636 14.155 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.228 17.421 11.470 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -7.819 17.301 12.195 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -7.988 21.127 11.962 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.717 20.058 13.342 1.00 0.00 H new ATOM 235 N ASP A1083 -7.179 16.091 14.631 1.00 0.00 N ATOM 236 CA ASP A1083 -7.149 14.730 15.156 1.00 0.00 C ATOM 237 C ASP A1083 -6.993 13.726 14.023 1.00 0.00 C ATOM 238 O ASP A1083 -6.615 12.576 14.244 1.00 0.00 O ATOM 239 CB ASP A1083 -8.426 14.418 15.939 1.00 0.00 C ATOM 240 CG ASP A1083 -8.462 15.067 17.309 1.00 0.00 C ATOM 241 OD1 ASP A1083 -8.629 16.304 17.390 1.00 0.00 O ATOM 242 OD2 ASP A1083 -8.338 14.340 18.315 1.00 0.00 O ATOM 0 H ASP A1083 -8.081 16.558 14.724 1.00 0.00 H new ATOM 0 HA ASP A1083 -6.295 14.652 15.829 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.288 14.753 15.363 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -8.519 13.338 16.053 1.00 0.00 H new ATOM 247 N ASP A1084 -7.294 14.169 12.809 1.00 0.00 N ATOM 248 CA ASP A1084 -7.179 13.316 11.634 1.00 0.00 C ATOM 249 C ASP A1084 -5.773 13.394 11.039 1.00 0.00 C ATOM 250 O ASP A1084 -5.427 12.636 10.136 1.00 0.00 O ATOM 251 CB ASP A1084 -8.227 13.702 10.588 1.00 0.00 C ATOM 252 CG ASP A1084 -8.361 12.660 9.494 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.565 11.472 9.826 1.00 0.00 O ATOM 254 OD2 ASP A1084 -8.291 13.023 8.301 1.00 0.00 O ATOM 0 H ASP A1084 -7.620 15.115 12.613 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.360 12.286 11.942 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.192 13.838 11.077 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -7.957 14.660 10.143 1.00 0.00 H new ATOM 259 N GLU A1085 -4.960 14.304 11.557 1.00 0.00 N ATOM 260 CA GLU A1085 -3.566 14.401 11.144 1.00 0.00 C ATOM 261 C GLU A1085 -2.739 13.372 11.904 1.00 0.00 C ATOM 262 O GLU A1085 -3.187 12.842 12.922 1.00 0.00 O ATOM 263 CB GLU A1085 -3.020 15.812 11.386 1.00 0.00 C ATOM 264 CG GLU A1085 -3.416 16.818 10.318 1.00 0.00 C ATOM 265 CD GLU A1085 -3.025 18.237 10.680 1.00 0.00 C ATOM 266 OE1 GLU A1085 -1.934 18.439 11.267 1.00 0.00 O ATOM 267 OE2 GLU A1085 -3.820 19.155 10.399 1.00 0.00 O ATOM 0 H GLU A1085 -5.240 14.985 12.263 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.501 14.198 10.075 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.374 16.167 12.354 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.932 15.765 11.442 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -2.944 16.545 9.374 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.494 16.771 10.161 1.00 0.00 H new ATOM 274 N LEU A1086 -1.550 13.076 11.409 1.00 0.00 N ATOM 275 CA LEU A1086 -0.723 12.046 12.014 1.00 0.00 C ATOM 276 C LEU A1086 0.413 12.649 12.831 1.00 0.00 C ATOM 277 O LEU A1086 1.228 13.414 12.309 1.00 0.00 O ATOM 278 CB LEU A1086 -0.134 11.126 10.945 1.00 0.00 C ATOM 279 CG LEU A1086 0.416 9.801 11.470 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.719 8.865 11.815 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.342 9.157 10.458 1.00 0.00 C ATOM 0 H LEU A1086 -1.137 13.531 10.595 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.367 11.470 12.678 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -0.904 10.915 10.203 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.667 11.657 10.430 1.00 0.00 H new ATOM 0 HG LEU A1086 0.992 10.005 12.372 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.314 7.924 12.188 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.345 9.320 12.582 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.317 8.675 10.924 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.719 8.216 10.857 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.795 8.966 9.534 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.178 9.825 10.253 1.00 0.00 H new ATOM 293 N THR A1087 0.455 12.310 14.111 1.00 0.00 N ATOM 294 CA THR A1087 1.595 12.643 14.947 1.00 0.00 C ATOM 295 C THR A1087 2.578 11.473 14.932 1.00 0.00 C ATOM 296 O THR A1087 2.245 10.365 15.358 1.00 0.00 O ATOM 297 CB THR A1087 1.164 12.957 16.399 1.00 0.00 C ATOM 298 OG1 THR A1087 0.192 14.013 16.408 1.00 0.00 O ATOM 299 CG2 THR A1087 2.358 13.350 17.258 1.00 0.00 C ATOM 0 H THR A1087 -0.289 11.804 14.592 1.00 0.00 H new ATOM 0 HA THR A1087 2.070 13.539 14.547 1.00 0.00 H new ATOM 0 HB THR A1087 0.723 12.053 16.820 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.076 14.203 17.331 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.022 13.564 18.272 1.00 0.00 H new ATOM 0 HG22 THR A1087 3.076 12.530 17.279 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.832 14.237 16.838 1.00 0.00 H new ATOM 307 N PHE A1088 3.773 11.711 14.415 1.00 0.00 N ATOM 308 CA PHE A1088 4.768 10.655 14.274 1.00 0.00 C ATOM 309 C PHE A1088 6.131 11.131 14.751 1.00 0.00 C ATOM 310 O PHE A1088 6.384 12.330 14.817 1.00 0.00 O ATOM 311 CB PHE A1088 4.846 10.168 12.817 1.00 0.00 C ATOM 312 CG PHE A1088 5.103 11.252 11.796 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.369 11.791 11.631 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.075 11.723 10.996 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.604 12.773 10.694 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.306 12.708 10.057 1.00 0.00 C ATOM 317 CZ PHE A1088 5.571 13.233 9.906 1.00 0.00 C ATOM 0 H PHE A1088 4.079 12.626 14.085 1.00 0.00 H new ATOM 0 HA PHE A1088 4.460 9.816 14.898 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.637 9.422 12.741 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.911 9.667 12.566 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.183 11.436 12.246 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.081 11.315 11.108 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.597 13.182 10.577 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.495 13.067 9.441 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.753 14.004 9.171 1.00 0.00 H new ATOM 327 N ILE A1089 7.001 10.190 15.079 1.00 0.00 N ATOM 328 CA ILE A1089 8.323 10.518 15.598 1.00 0.00 C ATOM 329 C ILE A1089 9.393 9.893 14.715 1.00 0.00 C ATOM 330 O ILE A1089 9.167 8.834 14.145 1.00 0.00 O ATOM 331 CB ILE A1089 8.507 10.041 17.063 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.594 8.506 17.172 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.377 10.571 17.935 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.323 7.767 16.803 1.00 0.00 C ATOM 0 H ILE A1089 6.817 9.190 14.996 1.00 0.00 H new ATOM 0 HA ILE A1089 8.421 11.604 15.589 1.00 0.00 H new ATOM 0 HB ILE A1089 9.456 10.443 17.418 1.00 0.00 H new ATOM 0 HG12 ILE A1089 9.401 8.156 16.528 1.00 0.00 H new ATOM 0 HG13 ILE A1089 8.866 8.244 18.194 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.518 10.229 18.960 1.00 0.00 H new ATOM 0 HG22 ILE A1089 7.380 11.661 17.912 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.423 10.203 17.558 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.482 6.694 16.911 1.00 0.00 H new ATOM 0 HD12 ILE A1089 6.514 8.082 17.462 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.058 7.993 15.770 1.00 0.00 H new ATOM 346 N GLU A1090 10.541 10.550 14.588 1.00 0.00 N ATOM 347 CA GLU A1090 11.597 10.079 13.696 1.00 0.00 C ATOM 348 C GLU A1090 12.072 8.683 14.098 1.00 0.00 C ATOM 349 O GLU A1090 12.393 8.430 15.259 1.00 0.00 O ATOM 350 CB GLU A1090 12.738 11.107 13.654 1.00 0.00 C ATOM 351 CG GLU A1090 14.161 10.562 13.725 1.00 0.00 C ATOM 352 CD GLU A1090 14.543 9.590 12.622 1.00 0.00 C ATOM 353 OE1 GLU A1090 14.265 9.867 11.448 1.00 0.00 O ATOM 354 OE2 GLU A1090 15.138 8.533 12.944 1.00 0.00 O ATOM 0 H GLU A1090 10.765 11.409 15.090 1.00 0.00 H new ATOM 0 HA GLU A1090 11.202 9.985 12.684 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.641 11.684 12.734 1.00 0.00 H new ATOM 0 HB3 GLU A1090 12.599 11.802 14.482 1.00 0.00 H new ATOM 0 HG2 GLU A1090 14.855 11.402 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.294 10.065 14.686 1.00 0.00 H new ATOM 361 N GLY A1091 12.103 7.786 13.120 1.00 0.00 N ATOM 362 CA GLY A1091 12.443 6.399 13.373 1.00 0.00 C ATOM 363 C GLY A1091 11.226 5.516 13.230 1.00 0.00 C ATOM 364 O GLY A1091 11.306 4.291 13.304 1.00 0.00 O ATOM 0 H GLY A1091 11.896 7.999 12.144 1.00 0.00 H new ATOM 0 HA2 GLY A1091 13.217 6.076 12.676 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.856 6.298 14.377 1.00 0.00 H new ATOM 368 N GLU A1092 10.097 6.166 13.016 1.00 0.00 N ATOM 369 CA GLU A1092 8.821 5.493 12.841 1.00 0.00 C ATOM 370 C GLU A1092 8.597 5.180 11.367 1.00 0.00 C ATOM 371 O GLU A1092 9.225 5.771 10.487 1.00 0.00 O ATOM 372 CB GLU A1092 7.699 6.388 13.368 1.00 0.00 C ATOM 373 CG GLU A1092 6.351 5.714 13.507 1.00 0.00 C ATOM 374 CD GLU A1092 6.418 4.441 14.319 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.814 3.399 13.758 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.060 4.472 15.513 1.00 0.00 O ATOM 0 H GLU A1092 10.038 7.183 12.958 1.00 0.00 H new ATOM 0 HA GLU A1092 8.824 4.557 13.399 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.994 6.779 14.342 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.593 7.243 12.700 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.651 6.404 13.978 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.958 5.488 12.516 1.00 0.00 H new ATOM 383 N VAL A1093 7.695 4.260 11.104 1.00 0.00 N ATOM 384 CA VAL A1093 7.428 3.818 9.743 1.00 0.00 C ATOM 385 C VAL A1093 5.939 3.887 9.459 1.00 0.00 C ATOM 386 O VAL A1093 5.128 3.395 10.243 1.00 0.00 O ATOM 387 CB VAL A1093 7.924 2.378 9.487 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.664 1.963 8.044 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.401 2.253 9.823 1.00 0.00 C ATOM 0 H VAL A1093 7.129 3.798 11.816 1.00 0.00 H new ATOM 0 HA VAL A1093 7.974 4.486 9.077 1.00 0.00 H new ATOM 0 HB VAL A1093 7.366 1.706 10.139 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.022 0.945 7.888 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.594 2.007 7.840 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.190 2.640 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.731 1.231 9.636 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.975 2.940 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.557 2.498 10.873 1.00 0.00 H new ATOM 399 N ILE A1094 5.578 4.500 8.345 1.00 0.00 N ATOM 400 CA ILE A1094 4.179 4.668 8.009 1.00 0.00 C ATOM 401 C ILE A1094 3.836 3.924 6.729 1.00 0.00 C ATOM 402 O ILE A1094 4.525 4.057 5.713 1.00 0.00 O ATOM 403 CB ILE A1094 3.807 6.152 7.827 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.456 7.010 8.919 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.293 6.311 7.861 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.310 8.497 8.688 1.00 0.00 C ATOM 0 H ILE A1094 6.231 4.887 7.663 1.00 0.00 H new ATOM 0 HA ILE A1094 3.608 4.259 8.843 1.00 0.00 H new ATOM 0 HB ILE A1094 4.180 6.491 6.861 1.00 0.00 H new ATOM 0 HG12 ILE A1094 4.012 6.755 9.881 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.516 6.763 8.981 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.035 7.362 7.732 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.848 5.726 7.056 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.912 5.959 8.819 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.793 9.041 9.500 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.779 8.766 7.742 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.252 8.758 8.656 1.00 0.00 H new ATOM 418 N ILE A1095 2.781 3.133 6.788 1.00 0.00 N ATOM 419 CA ILE A1095 2.247 2.484 5.611 1.00 0.00 C ATOM 420 C ILE A1095 1.215 3.399 4.968 1.00 0.00 C ATOM 421 O ILE A1095 0.110 3.571 5.488 1.00 0.00 O ATOM 422 CB ILE A1095 1.601 1.121 5.945 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.644 0.165 6.528 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.953 0.512 4.708 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.791 -0.142 5.585 1.00 0.00 C ATOM 0 H ILE A1095 2.275 2.925 7.649 1.00 0.00 H new ATOM 0 HA ILE A1095 3.071 2.294 4.923 1.00 0.00 H new ATOM 0 HB ILE A1095 0.823 1.285 6.691 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.046 0.597 7.445 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.153 -0.768 6.803 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.505 -0.447 4.967 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.181 1.184 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.709 0.363 3.937 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.488 -0.826 6.070 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.402 -0.604 4.677 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.309 0.782 5.329 1.00 0.00 H new ATOM 437 N VAL A1096 1.603 3.999 3.861 1.00 0.00 N ATOM 438 CA VAL A1096 0.755 4.914 3.122 1.00 0.00 C ATOM 439 C VAL A1096 -0.392 4.154 2.469 1.00 0.00 C ATOM 440 O VAL A1096 -0.168 3.273 1.639 1.00 0.00 O ATOM 441 CB VAL A1096 1.567 5.653 2.033 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.705 6.648 1.276 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.770 6.349 2.645 1.00 0.00 C ATOM 0 H VAL A1096 2.524 3.864 3.445 1.00 0.00 H new ATOM 0 HA VAL A1096 0.354 5.647 3.822 1.00 0.00 H new ATOM 0 HB VAL A1096 1.919 4.908 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.308 7.149 0.519 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.120 6.122 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.307 7.388 1.971 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.329 6.864 1.864 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.433 7.073 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.413 5.611 3.125 1.00 0.00 H new ATOM 453 N THR A1097 -1.609 4.479 2.864 1.00 0.00 N ATOM 454 CA THR A1097 -2.788 3.852 2.302 1.00 0.00 C ATOM 455 C THR A1097 -3.430 4.756 1.263 1.00 0.00 C ATOM 456 O THR A1097 -4.154 4.291 0.378 1.00 0.00 O ATOM 457 CB THR A1097 -3.809 3.523 3.405 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.863 4.605 4.345 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.435 2.236 4.125 1.00 0.00 C ATOM 0 H THR A1097 -1.806 5.180 3.578 1.00 0.00 H new ATOM 0 HA THR A1097 -2.477 2.924 1.822 1.00 0.00 H new ATOM 0 HB THR A1097 -4.787 3.386 2.943 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.142 4.264 5.220 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.172 2.025 4.900 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.414 1.413 3.411 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.451 2.347 4.581 1.00 0.00 H new ATOM 467 N GLY A1098 -3.145 6.048 1.356 1.00 0.00 N ATOM 468 CA GLY A1098 -3.723 7.001 0.439 1.00 0.00 C ATOM 469 C GLY A1098 -2.956 8.304 0.399 1.00 0.00 C ATOM 470 O GLY A1098 -1.924 8.452 1.049 1.00 0.00 O ATOM 0 H GLY A1098 -2.521 6.451 2.055 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.750 6.568 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.755 7.199 0.728 1.00 0.00 H new ATOM 474 N GLU A1099 -3.480 9.252 -0.350 1.00 0.00 N ATOM 475 CA GLU A1099 -2.866 10.552 -0.521 1.00 0.00 C ATOM 476 C GLU A1099 -3.962 11.600 -0.557 1.00 0.00 C ATOM 477 O GLU A1099 -5.031 11.366 -1.120 1.00 0.00 O ATOM 478 CB GLU A1099 -2.066 10.606 -1.825 1.00 0.00 C ATOM 479 CG GLU A1099 -0.841 9.709 -1.847 1.00 0.00 C ATOM 480 CD GLU A1099 -0.183 9.667 -3.210 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.060 10.746 -3.796 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.091 8.554 -3.706 1.00 0.00 O ATOM 0 H GLU A1099 -4.354 9.140 -0.863 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.183 10.740 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -2.721 10.327 -2.650 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -1.751 11.635 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -0.121 10.063 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -1.128 8.699 -1.553 1.00 0.00 H new ATOM 489 N GLU A1100 -3.714 12.738 0.053 1.00 0.00 N ATOM 490 CA GLU A1100 -4.689 13.814 0.048 1.00 0.00 C ATOM 491 C GLU A1100 -4.069 15.036 -0.593 1.00 0.00 C ATOM 492 O GLU A1100 -4.684 15.722 -1.409 1.00 0.00 O ATOM 493 CB GLU A1100 -5.152 14.132 1.474 1.00 0.00 C ATOM 494 CG GLU A1100 -6.154 15.272 1.549 1.00 0.00 C ATOM 495 CD GLU A1100 -6.656 15.519 2.953 1.00 0.00 C ATOM 496 OE1 GLU A1100 -5.902 16.074 3.770 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.824 15.171 3.236 1.00 0.00 O ATOM 0 H GLU A1100 -2.852 12.945 0.557 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.564 13.506 -0.525 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.598 13.238 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.283 14.383 2.082 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.691 16.182 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.000 15.049 0.899 1.00 0.00 H new ATOM 504 N ASP A1101 -2.826 15.265 -0.241 1.00 0.00 N ATOM 505 CA ASP A1101 -2.080 16.397 -0.728 1.00 0.00 C ATOM 506 C ASP A1101 -0.835 15.880 -1.433 1.00 0.00 C ATOM 507 O ASP A1101 -0.579 14.675 -1.429 1.00 0.00 O ATOM 508 CB ASP A1101 -1.687 17.271 0.462 1.00 0.00 C ATOM 509 CG ASP A1101 -1.394 18.709 0.114 1.00 0.00 C ATOM 510 OD1 ASP A1101 -0.355 18.975 -0.529 1.00 0.00 O ATOM 511 OD2 ASP A1101 -2.190 19.580 0.518 1.00 0.00 O ATOM 0 H ASP A1101 -2.302 14.666 0.396 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.675 16.987 -1.425 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.492 17.245 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.807 16.839 0.938 1.00 0.00 H new ATOM 516 N GLN A1102 -0.074 16.763 -2.039 1.00 0.00 N ATOM 517 CA GLN A1102 1.226 16.400 -2.564 1.00 0.00 C ATOM 518 C GLN A1102 2.171 16.190 -1.398 1.00 0.00 C ATOM 519 O GLN A1102 3.000 15.279 -1.390 1.00 0.00 O ATOM 520 CB GLN A1102 1.761 17.505 -3.478 1.00 0.00 C ATOM 521 CG GLN A1102 3.241 17.365 -3.796 1.00 0.00 C ATOM 522 CD GLN A1102 3.743 18.458 -4.713 1.00 0.00 C ATOM 523 OE1 GLN A1102 3.700 18.326 -5.935 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.235 19.542 -4.132 1.00 0.00 N ATOM 0 H GLN A1102 -0.332 17.740 -2.181 1.00 0.00 H new ATOM 0 HA GLN A1102 1.143 15.485 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.195 17.501 -4.410 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.589 18.472 -3.005 1.00 0.00 H new ATOM 0 HG2 GLN A1102 3.812 17.383 -2.868 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.419 16.395 -4.261 1.00 0.00 H new ATOM 0 HE21 GLN A1102 4.252 19.612 -3.115 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.596 20.307 -4.702 1.00 0.00 H new ATOM 533 N GLU A1103 1.996 17.027 -0.394 1.00 0.00 N ATOM 534 CA GLU A1103 2.882 17.048 0.743 1.00 0.00 C ATOM 535 C GLU A1103 2.196 16.472 1.978 1.00 0.00 C ATOM 536 O GLU A1103 2.703 16.577 3.092 1.00 0.00 O ATOM 537 CB GLU A1103 3.316 18.484 0.988 1.00 0.00 C ATOM 538 CG GLU A1103 4.626 18.594 1.717 1.00 0.00 C ATOM 539 CD GLU A1103 5.072 20.031 1.884 1.00 0.00 C ATOM 540 OE1 GLU A1103 4.341 20.944 1.433 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.163 20.254 2.454 1.00 0.00 O ATOM 0 H GLU A1103 1.237 17.707 -0.348 1.00 0.00 H new ATOM 0 HA GLU A1103 3.755 16.428 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.396 19.000 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.544 18.996 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.533 18.128 2.698 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.390 18.040 1.172 1.00 0.00 H new ATOM 548 N TRP A1104 1.039 15.866 1.770 1.00 0.00 N ATOM 549 CA TRP A1104 0.271 15.260 2.859 1.00 0.00 C ATOM 550 C TRP A1104 -0.372 13.954 2.410 1.00 0.00 C ATOM 551 O TRP A1104 -1.313 13.941 1.607 1.00 0.00 O ATOM 552 CB TRP A1104 -0.803 16.218 3.374 1.00 0.00 C ATOM 553 CG TRP A1104 -0.249 17.376 4.140 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.284 18.529 3.633 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.179 17.493 5.560 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.688 19.346 4.655 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.408 18.735 5.846 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.560 16.665 6.619 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.624 19.169 7.143 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.343 17.097 7.909 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.244 18.342 8.162 1.00 0.00 C ATOM 0 H TRP A1104 0.604 15.777 0.852 1.00 0.00 H new ATOM 0 HA TRP A1104 0.966 15.048 3.672 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.380 16.594 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.494 15.668 4.012 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.373 18.761 2.582 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.126 20.261 4.546 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -1.016 15.704 6.430 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.077 20.129 7.342 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.630 16.466 8.737 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.400 18.655 9.184 1.00 0.00 H new ATOM 572 N TRP A1105 0.135 12.855 2.933 1.00 0.00 N ATOM 573 CA TRP A1105 -0.356 11.542 2.556 1.00 0.00 C ATOM 574 C TRP A1105 -1.099 10.906 3.712 1.00 0.00 C ATOM 575 O TRP A1105 -0.999 11.355 4.852 1.00 0.00 O ATOM 576 CB TRP A1105 0.798 10.648 2.091 1.00 0.00 C ATOM 577 CG TRP A1105 1.391 11.095 0.791 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.068 12.224 0.103 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.397 10.431 0.023 1.00 0.00 C ATOM 580 NE1 TRP A1105 1.809 12.317 -1.041 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.638 11.223 -1.118 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.119 9.247 0.189 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.573 10.863 -2.084 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.044 8.893 -0.772 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.264 9.698 -1.894 1.00 0.00 C ATOM 0 H TRP A1105 0.888 12.844 3.621 1.00 0.00 H new ATOM 0 HA TRP A1105 -1.051 11.657 1.724 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.575 10.639 2.855 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.439 9.624 1.988 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.329 12.946 0.418 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.756 13.072 -1.724 1.00 0.00 H new ATOM 0 HE3 TRP A1105 2.956 8.620 1.053 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.747 11.481 -2.952 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.607 7.979 -0.656 1.00 0.00 H new ATOM 0 HH2 TRP A1105 4.996 9.393 -2.627 1.00 0.00 H new ATOM 596 N ILE A1106 -1.841 9.862 3.412 1.00 0.00 N ATOM 597 CA ILE A1106 -2.690 9.224 4.393 1.00 0.00 C ATOM 598 C ILE A1106 -2.227 7.802 4.620 1.00 0.00 C ATOM 599 O ILE A1106 -1.897 7.093 3.671 1.00 0.00 O ATOM 600 CB ILE A1106 -4.154 9.199 3.924 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.599 10.596 3.497 1.00 0.00 C ATOM 602 CG2 ILE A1106 -5.054 8.662 5.029 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.905 10.601 2.744 1.00 0.00 C ATOM 0 H ILE A1106 -1.873 9.434 2.487 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.625 9.796 5.319 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.234 8.536 3.063 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.695 11.225 4.382 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.825 11.041 2.872 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -6.088 8.650 4.683 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.746 7.649 5.289 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.973 9.302 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.163 11.624 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.807 9.998 1.842 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.690 10.185 3.375 1.00 0.00 H new ATOM 615 N GLY A1107 -2.185 7.392 5.865 1.00 0.00 N ATOM 616 CA GLY A1107 -1.793 6.038 6.162 1.00 0.00 C ATOM 617 C GLY A1107 -1.785 5.745 7.639 1.00 0.00 C ATOM 618 O GLY A1107 -2.333 6.508 8.435 1.00 0.00 O ATOM 0 H GLY A1107 -2.414 7.967 6.676 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.475 5.349 5.663 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.799 5.854 5.754 1.00 0.00 H new ATOM 622 N HIS A1108 -1.144 4.650 7.998 1.00 0.00 N ATOM 623 CA HIS A1108 -1.108 4.184 9.377 1.00 0.00 C ATOM 624 C HIS A1108 0.286 3.677 9.706 1.00 0.00 C ATOM 625 O HIS A1108 1.002 3.205 8.827 1.00 0.00 O ATOM 626 CB HIS A1108 -2.145 3.070 9.600 1.00 0.00 C ATOM 627 CG HIS A1108 -1.986 1.878 8.702 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.810 1.634 7.626 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.100 0.854 8.731 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.438 0.514 7.034 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.403 0.024 7.685 1.00 0.00 N ATOM 0 H HIS A1108 -0.633 4.056 7.345 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.354 5.016 10.037 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.085 2.738 10.636 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.142 3.486 9.456 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.303 0.717 9.446 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -2.903 0.074 6.164 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -0.907 -0.835 7.448 1.00 0.00 H new ATOM 640 N ILE A1109 0.667 3.774 10.966 1.00 0.00 N ATOM 641 CA ILE A1109 1.980 3.322 11.397 1.00 0.00 C ATOM 642 C ILE A1109 2.109 1.809 11.235 1.00 0.00 C ATOM 643 O ILE A1109 1.182 1.056 11.531 1.00 0.00 O ATOM 644 CB ILE A1109 2.247 3.708 12.866 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.188 5.228 13.042 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.589 3.168 13.331 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.067 5.991 12.078 1.00 0.00 C ATOM 0 H ILE A1109 0.087 4.162 11.710 1.00 0.00 H new ATOM 0 HA ILE A1109 2.720 3.815 10.766 1.00 0.00 H new ATOM 0 HB ILE A1109 1.468 3.259 13.483 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.157 5.559 12.917 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.482 5.477 14.062 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.756 3.453 14.370 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.593 2.081 13.248 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.383 3.582 12.710 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.970 7.060 12.266 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.106 5.691 12.217 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.760 5.773 11.055 1.00 0.00 H new ATOM 659 N GLU A1110 3.277 1.393 10.753 1.00 0.00 N ATOM 660 CA GLU A1110 3.583 -0.012 10.497 1.00 0.00 C ATOM 661 C GLU A1110 3.493 -0.828 11.786 1.00 0.00 C ATOM 662 O GLU A1110 2.968 -1.940 11.793 1.00 0.00 O ATOM 663 CB GLU A1110 4.994 -0.118 9.900 1.00 0.00 C ATOM 664 CG GLU A1110 5.139 -1.147 8.785 1.00 0.00 C ATOM 665 CD GLU A1110 4.970 -2.575 9.254 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.888 -3.099 9.913 1.00 0.00 O ATOM 667 OE2 GLU A1110 3.925 -3.187 8.955 1.00 0.00 O ATOM 0 H GLU A1110 4.044 2.026 10.527 1.00 0.00 H new ATOM 0 HA GLU A1110 2.855 -0.414 9.792 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.285 0.859 9.514 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.694 -0.366 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.401 -0.938 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A1110 6.122 -1.038 8.327 1.00 0.00 H new ATOM 674 N GLY A1111 4.004 -0.264 12.876 1.00 0.00 N ATOM 675 CA GLY A1111 3.954 -0.944 14.158 1.00 0.00 C ATOM 676 C GLY A1111 2.779 -0.498 15.006 1.00 0.00 C ATOM 677 O GLY A1111 2.582 -0.991 16.115 1.00 0.00 O ATOM 0 H GLY A1111 4.452 0.652 12.895 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.891 -2.020 13.993 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.881 -0.758 14.701 1.00 0.00 H new ATOM 681 N GLN A1112 1.997 0.435 14.481 1.00 0.00 N ATOM 682 CA GLN A1112 0.850 0.982 15.197 1.00 0.00 C ATOM 683 C GLN A1112 -0.311 1.205 14.237 1.00 0.00 C ATOM 684 O GLN A1112 -0.565 2.327 13.796 1.00 0.00 O ATOM 685 CB GLN A1112 1.225 2.296 15.884 1.00 0.00 C ATOM 686 CG GLN A1112 2.239 2.129 16.997 1.00 0.00 C ATOM 687 CD GLN A1112 1.651 1.471 18.226 1.00 0.00 C ATOM 688 OE1 GLN A1112 0.464 1.621 18.521 1.00 0.00 O ATOM 689 NE2 GLN A1112 2.477 0.744 18.956 1.00 0.00 N ATOM 0 H GLN A1112 2.137 0.833 13.552 1.00 0.00 H new ATOM 0 HA GLN A1112 0.544 0.266 15.960 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.625 2.985 15.140 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.323 2.754 16.291 1.00 0.00 H new ATOM 0 HG2 GLN A1112 3.076 1.532 16.635 1.00 0.00 H new ATOM 0 HG3 GLN A1112 2.639 3.106 17.269 1.00 0.00 H new ATOM 0 HE21 GLN A1112 3.453 0.645 18.676 1.00 0.00 H new ATOM 0 HE22 GLN A1112 2.139 0.281 19.800 1.00 0.00 H new ATOM 698 N PRO A1113 -1.034 0.129 13.911 1.00 0.00 N ATOM 699 CA PRO A1113 -2.109 0.148 12.911 1.00 0.00 C ATOM 700 C PRO A1113 -3.308 0.991 13.336 1.00 0.00 C ATOM 701 O PRO A1113 -4.101 1.420 12.499 1.00 0.00 O ATOM 702 CB PRO A1113 -2.516 -1.327 12.781 1.00 0.00 C ATOM 703 CG PRO A1113 -1.424 -2.102 13.439 1.00 0.00 C ATOM 704 CD PRO A1113 -0.861 -1.203 14.497 1.00 0.00 C ATOM 0 HA PRO A1113 -1.769 0.597 11.978 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.475 -1.513 13.264 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -2.625 -1.613 11.735 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -1.808 -3.025 13.874 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -0.657 -2.385 12.718 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.397 -1.303 15.441 1.00 0.00 H new ATOM 0 HD3 PRO A1113 0.187 -1.423 14.700 1.00 0.00 H new ATOM 712 N GLU A1114 -3.435 1.234 14.635 1.00 0.00 N ATOM 713 CA GLU A1114 -4.547 2.023 15.155 1.00 0.00 C ATOM 714 C GLU A1114 -4.181 3.507 15.172 1.00 0.00 C ATOM 715 O GLU A1114 -4.993 4.367 15.513 1.00 0.00 O ATOM 716 CB GLU A1114 -4.924 1.530 16.555 1.00 0.00 C ATOM 717 CG GLU A1114 -6.224 2.107 17.089 1.00 0.00 C ATOM 718 CD GLU A1114 -7.381 1.921 16.131 1.00 0.00 C ATOM 719 OE1 GLU A1114 -7.752 0.765 15.854 1.00 0.00 O ATOM 720 OE2 GLU A1114 -7.918 2.935 15.640 1.00 0.00 O ATOM 0 H GLU A1114 -2.785 0.898 15.346 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.412 1.899 14.503 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.003 0.443 16.536 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -4.118 1.780 17.245 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -6.465 1.632 18.040 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -6.090 3.170 17.289 1.00 0.00 H new ATOM 727 N ARG A1115 -2.951 3.803 14.787 1.00 0.00 N ATOM 728 CA ARG A1115 -2.508 5.180 14.649 1.00 0.00 C ATOM 729 C ARG A1115 -2.448 5.551 13.177 1.00 0.00 C ATOM 730 O ARG A1115 -1.424 5.352 12.517 1.00 0.00 O ATOM 731 CB ARG A1115 -1.137 5.382 15.303 1.00 0.00 C ATOM 732 CG ARG A1115 -1.141 5.172 16.808 1.00 0.00 C ATOM 733 CD ARG A1115 0.234 5.426 17.405 1.00 0.00 C ATOM 734 NE ARG A1115 0.239 5.272 18.860 1.00 0.00 N ATOM 735 CZ ARG A1115 1.336 5.045 19.581 1.00 0.00 C ATOM 736 NH1 ARG A1115 2.518 4.940 18.989 1.00 0.00 N ATOM 737 NH2 ARG A1115 1.246 4.929 20.902 1.00 0.00 N ATOM 0 H ARG A1115 -2.240 3.106 14.564 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.222 5.829 15.156 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.424 4.693 14.851 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.786 6.391 15.087 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -1.869 5.840 17.269 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.456 4.153 17.034 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.953 4.735 16.965 1.00 0.00 H new ATOM 0 HD3 ARG A1115 0.561 6.433 17.146 1.00 0.00 H new ATOM 0 HE ARG A1115 -0.652 5.343 19.352 1.00 0.00 H new ATOM 0 HH11 ARG A1115 2.591 5.033 17.976 1.00 0.00 H new ATOM 0 HH12 ARG A1115 3.354 4.766 19.547 1.00 0.00 H new ATOM 0 HH21 ARG A1115 0.339 5.014 21.361 1.00 0.00 H new ATOM 0 HH22 ARG A1115 2.084 4.755 21.457 1.00 0.00 H new ATOM 751 N LYS A1116 -3.554 6.066 12.660 1.00 0.00 N ATOM 752 CA LYS A1116 -3.622 6.466 11.264 1.00 0.00 C ATOM 753 C LYS A1116 -3.921 7.954 11.165 1.00 0.00 C ATOM 754 O LYS A1116 -4.192 8.609 12.174 1.00 0.00 O ATOM 755 CB LYS A1116 -4.694 5.690 10.486 1.00 0.00 C ATOM 756 CG LYS A1116 -5.060 4.325 11.048 1.00 0.00 C ATOM 757 CD LYS A1116 -6.146 4.435 12.109 1.00 0.00 C ATOM 758 CE LYS A1116 -6.955 3.157 12.211 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.180 3.346 13.032 1.00 0.00 N ATOM 0 H LYS A1116 -4.415 6.216 13.186 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.652 6.240 10.820 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.597 6.299 10.443 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.349 5.559 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.402 3.677 10.241 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.174 3.858 11.479 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -5.692 4.657 13.075 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -6.808 5.267 11.869 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.234 2.822 11.212 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -6.340 2.371 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -8.783 2.502 12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -7.912 3.491 14.026 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.703 4.177 12.689 1.00 0.00 H new ATOM 773 N GLY A1117 -3.875 8.481 9.956 1.00 0.00 N ATOM 774 CA GLY A1117 -4.172 9.878 9.747 1.00 0.00 C ATOM 775 C GLY A1117 -3.419 10.447 8.568 1.00 0.00 C ATOM 776 O GLY A1117 -2.815 9.702 7.792 1.00 0.00 O ATOM 0 H GLY A1117 -3.636 7.963 9.110 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.243 10.001 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.918 10.441 10.645 1.00 0.00 H new ATOM 780 N VAL A1118 -3.457 11.762 8.426 1.00 0.00 N ATOM 781 CA VAL A1118 -2.757 12.430 7.347 1.00 0.00 C ATOM 782 C VAL A1118 -1.443 13.011 7.854 1.00 0.00 C ATOM 783 O VAL A1118 -1.426 13.846 8.761 1.00 0.00 O ATOM 784 CB VAL A1118 -3.605 13.555 6.722 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.988 14.012 5.413 1.00 0.00 C ATOM 786 CG2 VAL A1118 -5.043 13.105 6.511 1.00 0.00 C ATOM 0 H VAL A1118 -3.968 12.388 9.048 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.561 11.684 6.577 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.619 14.397 7.414 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.597 14.807 4.982 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.980 14.385 5.596 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.943 13.172 4.719 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.618 13.919 6.069 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -5.060 12.244 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.482 12.830 7.470 1.00 0.00 H new ATOM 796 N PHE A1119 -0.354 12.554 7.273 1.00 0.00 N ATOM 797 CA PHE A1119 0.978 12.961 7.692 1.00 0.00 C ATOM 798 C PHE A1119 1.662 13.807 6.624 1.00 0.00 C ATOM 799 O PHE A1119 1.509 13.561 5.426 1.00 0.00 O ATOM 800 CB PHE A1119 1.833 11.730 8.018 1.00 0.00 C ATOM 801 CG PHE A1119 1.750 10.625 7.000 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.753 9.670 7.086 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.674 10.530 5.970 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.671 8.645 6.168 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.599 9.501 5.047 1.00 0.00 C ATOM 806 CZ PHE A1119 1.594 8.557 5.149 1.00 0.00 C ATOM 0 H PHE A1119 -0.363 11.891 6.498 1.00 0.00 H new ATOM 0 HA PHE A1119 0.874 13.571 8.589 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.873 12.041 8.114 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.527 11.337 8.988 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.028 9.728 7.884 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.460 11.266 5.887 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.117 7.911 6.248 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.324 9.436 4.249 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.533 7.752 4.431 1.00 0.00 H new ATOM 816 N PRO A1120 2.413 14.832 7.055 1.00 0.00 N ATOM 817 CA PRO A1120 3.168 15.694 6.153 1.00 0.00 C ATOM 818 C PRO A1120 4.405 14.999 5.608 1.00 0.00 C ATOM 819 O PRO A1120 5.247 14.512 6.367 1.00 0.00 O ATOM 820 CB PRO A1120 3.578 16.870 7.038 1.00 0.00 C ATOM 821 CG PRO A1120 3.627 16.310 8.413 1.00 0.00 C ATOM 822 CD PRO A1120 2.579 15.228 8.464 1.00 0.00 C ATOM 0 HA PRO A1120 2.581 15.984 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.546 17.271 6.739 1.00 0.00 H new ATOM 0 HB3 PRO A1120 2.860 17.687 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.615 15.906 8.634 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.426 17.082 9.155 1.00 0.00 H new ATOM 0 HD2 PRO A1120 2.901 14.388 9.080 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.645 15.596 8.889 1.00 0.00 H new ATOM 830 N VAL A1121 4.517 14.970 4.291 1.00 0.00 N ATOM 831 CA VAL A1121 5.675 14.401 3.625 1.00 0.00 C ATOM 832 C VAL A1121 6.922 15.225 3.964 1.00 0.00 C ATOM 833 O VAL A1121 8.054 14.776 3.802 1.00 0.00 O ATOM 834 CB VAL A1121 5.457 14.335 2.093 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.635 13.677 1.392 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.164 13.589 1.767 1.00 0.00 C ATOM 0 H VAL A1121 3.810 15.339 3.655 1.00 0.00 H new ATOM 0 HA VAL A1121 5.818 13.381 3.981 1.00 0.00 H new ATOM 0 HB VAL A1121 5.376 15.358 1.726 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.449 13.647 0.318 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.541 14.250 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.760 12.661 1.767 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.028 13.553 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.221 12.574 2.160 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.320 14.108 2.222 1.00 0.00 H new ATOM 846 N SER A1122 6.684 16.425 4.483 1.00 0.00 N ATOM 847 CA SER A1122 7.745 17.333 4.891 1.00 0.00 C ATOM 848 C SER A1122 8.642 16.713 5.964 1.00 0.00 C ATOM 849 O SER A1122 9.839 17.002 6.026 1.00 0.00 O ATOM 850 CB SER A1122 7.117 18.619 5.425 1.00 0.00 C ATOM 851 OG SER A1122 5.917 18.920 4.732 1.00 0.00 O ATOM 0 H SER A1122 5.745 16.795 4.632 1.00 0.00 H new ATOM 0 HA SER A1122 8.369 17.544 4.023 1.00 0.00 H new ATOM 0 HB2 SER A1122 6.910 18.513 6.490 1.00 0.00 H new ATOM 0 HB3 SER A1122 7.821 19.444 5.318 1.00 0.00 H new ATOM 0 HG SER A1122 6.076 19.659 4.109 1.00 0.00 H new ATOM 857 N PHE A1123 8.072 15.858 6.801 1.00 0.00 N ATOM 858 CA PHE A1123 8.803 15.313 7.936 1.00 0.00 C ATOM 859 C PHE A1123 9.095 13.826 7.741 1.00 0.00 C ATOM 860 O PHE A1123 9.604 13.156 8.643 1.00 0.00 O ATOM 861 CB PHE A1123 8.009 15.512 9.232 1.00 0.00 C ATOM 862 CG PHE A1123 7.787 16.947 9.653 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.335 17.903 8.759 1.00 0.00 C ATOM 864 CD2 PHE A1123 8.003 17.326 10.967 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.106 19.198 9.158 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.771 18.619 11.377 1.00 0.00 C ATOM 867 CZ PHE A1123 7.320 19.559 10.472 1.00 0.00 C ATOM 0 H PHE A1123 7.111 15.528 6.717 1.00 0.00 H new ATOM 0 HA PHE A1123 9.750 15.849 8.007 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.037 15.032 9.118 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.528 14.993 10.038 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.159 17.626 7.730 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.358 16.597 11.680 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.759 19.931 8.445 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.942 18.898 12.406 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.135 20.574 10.792 1.00 0.00 H new ATOM 877 N VAL A1124 8.780 13.307 6.565 1.00 0.00 N ATOM 878 CA VAL A1124 8.982 11.885 6.299 1.00 0.00 C ATOM 879 C VAL A1124 9.744 11.678 4.997 1.00 0.00 C ATOM 880 O VAL A1124 9.789 12.563 4.147 1.00 0.00 O ATOM 881 CB VAL A1124 7.648 11.097 6.248 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.003 11.037 7.619 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.682 11.717 5.258 1.00 0.00 C ATOM 0 H VAL A1124 8.388 13.837 5.787 1.00 0.00 H new ATOM 0 HA VAL A1124 9.570 11.497 7.131 1.00 0.00 H new ATOM 0 HB VAL A1124 7.881 10.084 5.920 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.069 10.479 7.557 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.677 10.540 8.317 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.799 12.049 7.970 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.756 11.142 5.245 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.468 12.744 5.553 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.127 11.711 4.263 1.00 0.00 H new ATOM 893 N HIS A1125 10.354 10.511 4.849 1.00 0.00 N ATOM 894 CA HIS A1125 11.113 10.196 3.655 1.00 0.00 C ATOM 895 C HIS A1125 10.499 8.979 2.989 1.00 0.00 C ATOM 896 O HIS A1125 10.268 7.957 3.635 1.00 0.00 O ATOM 897 CB HIS A1125 12.574 9.949 4.022 1.00 0.00 C ATOM 898 CG HIS A1125 13.495 9.774 2.855 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.846 10.795 2.004 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.158 8.683 2.420 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.682 10.339 1.094 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.893 9.055 1.322 1.00 0.00 N ATOM 0 H HIS A1125 10.336 9.766 5.546 1.00 0.00 H new ATOM 0 HA HIS A1125 11.081 11.031 2.956 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.929 10.785 4.624 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.631 9.059 4.648 1.00 0.00 H new ATOM 0 HD2 HIS A1125 14.118 7.696 2.856 1.00 0.00 H new ATOM 0 HE1 HIS A1125 15.121 10.918 0.295 1.00 0.00 H new ATOM 0 HE2 HIS A1125 15.499 8.444 0.775 1.00 0.00 H new ATOM 911 N ILE A1126 10.236 9.097 1.706 1.00 0.00 N ATOM 912 CA ILE A1126 9.479 8.088 0.985 1.00 0.00 C ATOM 913 C ILE A1126 10.394 6.978 0.495 1.00 0.00 C ATOM 914 O ILE A1126 11.504 7.232 0.023 1.00 0.00 O ATOM 915 CB ILE A1126 8.718 8.712 -0.198 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.844 9.862 0.304 1.00 0.00 C ATOM 917 CG2 ILE A1126 7.867 7.659 -0.904 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.164 10.621 -0.797 1.00 0.00 C ATOM 0 H ILE A1126 10.536 9.886 1.134 1.00 0.00 H new ATOM 0 HA ILE A1126 8.751 7.660 1.674 1.00 0.00 H new ATOM 0 HB ILE A1126 9.438 9.101 -0.918 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.088 9.465 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A1126 8.460 10.550 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A1126 7.336 8.119 -1.738 1.00 0.00 H new ATOM 0 HG22 ILE A1126 8.510 6.863 -1.278 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.146 7.242 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.561 11.422 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A1126 7.915 11.048 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A1126 6.521 9.945 -1.362 1.00 0.00 H new ATOM 930 N LEU A1127 9.931 5.745 0.632 1.00 0.00 N ATOM 931 CA LEU A1127 10.741 4.585 0.319 1.00 0.00 C ATOM 932 C LEU A1127 10.063 3.722 -0.732 1.00 0.00 C ATOM 933 O LEU A1127 9.340 2.775 -0.418 1.00 0.00 O ATOM 934 CB LEU A1127 10.987 3.791 1.598 1.00 0.00 C ATOM 935 CG LEU A1127 11.463 4.651 2.765 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.517 3.854 4.051 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.817 5.267 2.466 1.00 0.00 C ATOM 0 H LEU A1127 8.991 5.524 0.961 1.00 0.00 H new ATOM 0 HA LEU A1127 11.697 4.911 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.066 3.282 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.730 3.018 1.400 1.00 0.00 H new ATOM 0 HG LEU A1127 10.739 5.455 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A1127 11.860 4.496 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A1127 10.523 3.473 4.285 1.00 0.00 H new ATOM 0 HD13 LEU A1127 12.207 3.019 3.933 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.135 5.875 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.547 4.476 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.744 5.893 1.577 1.00 0.00 H new ATOM 949 N SER A1128 10.291 4.071 -1.986 1.00 0.00 N ATOM 950 CA SER A1128 9.758 3.306 -3.106 1.00 0.00 C ATOM 951 C SER A1128 10.730 2.186 -3.485 1.00 0.00 C ATOM 952 O SER A1128 10.583 1.523 -4.515 1.00 0.00 O ATOM 953 CB SER A1128 9.505 4.244 -4.294 1.00 0.00 C ATOM 954 OG SER A1128 8.703 3.636 -5.294 1.00 0.00 O ATOM 0 H SER A1128 10.845 4.883 -2.258 1.00 0.00 H new ATOM 0 HA SER A1128 8.811 2.848 -2.819 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.016 5.152 -3.941 1.00 0.00 H new ATOM 0 HB3 SER A1128 10.459 4.544 -4.728 1.00 0.00 H new ATOM 0 HG SER A1128 8.999 2.713 -5.434 1.00 0.00 H new ATOM 960 N ASP A1129 11.712 1.977 -2.624 1.00 0.00 N ATOM 961 CA ASP A1129 12.723 0.948 -2.823 1.00 0.00 C ATOM 962 C ASP A1129 13.198 0.426 -1.475 1.00 0.00 C ATOM 963 O ASP A1129 14.002 1.121 -0.820 1.00 0.00 O ATOM 964 CB ASP A1129 13.908 1.501 -3.618 1.00 0.00 C ATOM 965 CG ASP A1129 14.984 0.461 -3.855 1.00 0.00 C ATOM 966 OD1 ASP A1129 14.729 -0.501 -4.610 1.00 0.00 O ATOM 967 OD2 ASP A1129 16.091 0.600 -3.294 1.00 0.00 O ATOM 968 OXT ASP A1129 12.750 -0.662 -1.066 1.00 0.00 O ATOM 0 H ASP A1129 11.832 2.516 -1.766 1.00 0.00 H new ATOM 0 HA ASP A1129 12.280 0.130 -3.391 1.00 0.00 H new ATOM 0 HB2 ASP A1129 13.554 1.877 -4.578 1.00 0.00 H new ATOM 0 HB3 ASP A1129 14.337 2.348 -3.082 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.427 9.010 14.364 1.00 0.00 N ATOM 975 CA CYS B1578 18.401 9.700 13.493 1.00 0.00 C ATOM 976 C CYS B1578 17.732 10.853 12.763 1.00 0.00 C ATOM 977 O CYS B1578 17.427 10.739 11.579 1.00 0.00 O ATOM 978 CB CYS B1578 18.990 8.722 12.478 1.00 0.00 C ATOM 979 SG CYS B1578 19.815 7.299 13.223 1.00 0.00 S ATOM 0 HA CYS B1578 19.204 10.092 14.118 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.192 8.366 11.826 1.00 0.00 H new ATOM 0 HB3 CYS B1578 19.703 9.254 11.848 1.00 0.00 H new ATOM 0 HG CYS B1578 20.279 6.527 12.286 1.00 0.00 H new ATOM 987 N ILE B1579 17.486 11.950 13.471 1.00 0.00 N ATOM 988 CA ILE B1579 16.857 13.114 12.862 1.00 0.00 C ATOM 989 C ILE B1579 17.658 13.595 11.664 1.00 0.00 C ATOM 990 O ILE B1579 18.854 13.879 11.766 1.00 0.00 O ATOM 991 CB ILE B1579 16.692 14.290 13.850 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.698 13.938 14.958 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.238 15.547 13.114 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.362 15.115 15.850 1.00 0.00 C ATOM 0 H ILE B1579 17.711 12.057 14.460 1.00 0.00 H new ATOM 0 HA ILE B1579 15.865 12.790 12.549 1.00 0.00 H new ATOM 0 HB ILE B1579 17.662 14.483 14.309 1.00 0.00 H new ATOM 0 HG12 ILE B1579 14.781 13.557 14.508 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.112 13.134 15.567 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.127 16.365 13.826 1.00 0.00 H new ATOM 0 HG22 ILE B1579 16.981 15.817 12.363 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.282 15.358 12.627 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.653 14.801 16.615 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.271 15.482 16.326 1.00 0.00 H new ATOM 0 HD13 ILE B1579 14.920 15.911 15.251 1.00 0.00 H new ATOM 1006 N ILE B1580 16.991 13.657 10.531 1.00 0.00 N ATOM 1007 CA ILE B1580 17.588 14.172 9.319 1.00 0.00 C ATOM 1008 C ILE B1580 17.727 15.682 9.417 1.00 0.00 C ATOM 1009 O ILE B1580 16.754 16.377 9.625 1.00 0.00 O ATOM 1010 CB ILE B1580 16.737 13.770 8.085 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.245 12.453 7.510 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.712 14.852 7.014 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.153 11.310 8.486 1.00 0.00 C ATOM 0 H ILE B1580 16.023 13.353 10.425 1.00 0.00 H new ATOM 0 HA ILE B1580 18.581 13.740 9.196 1.00 0.00 H new ATOM 0 HB ILE B1580 15.709 13.645 8.424 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.671 12.208 6.617 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.282 12.575 7.199 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.103 14.518 6.174 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.288 15.766 7.430 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.728 15.047 6.670 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.529 10.401 8.018 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.750 11.537 9.369 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.113 11.164 8.778 1.00 0.00 H new ATOM 1025 N SER B1581 18.946 16.175 9.326 1.00 0.00 N ATOM 1026 CA SER B1581 19.189 17.609 9.287 1.00 0.00 C ATOM 1027 C SER B1581 18.569 18.308 10.507 1.00 0.00 C ATOM 1028 O SER B1581 18.519 17.739 11.600 1.00 0.00 O ATOM 1029 CB SER B1581 18.594 18.176 7.996 1.00 0.00 C ATOM 1030 OG SER B1581 19.127 17.523 6.851 1.00 0.00 O ATOM 0 H SER B1581 19.789 15.603 9.277 1.00 0.00 H new ATOM 0 HA SER B1581 20.264 17.789 9.313 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.510 18.061 8.011 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.800 19.245 7.937 1.00 0.00 H new ATOM 0 HG SER B1581 18.728 17.904 6.041 1.00 0.00 H new ATOM 1036 N ALA B1582 18.125 19.544 10.322 1.00 0.00 N ATOM 1037 CA ALA B1582 17.351 20.239 11.335 1.00 0.00 C ATOM 1038 C ALA B1582 15.865 20.115 11.032 1.00 0.00 C ATOM 1039 O ALA B1582 15.461 20.030 9.871 1.00 0.00 O ATOM 1040 CB ALA B1582 17.766 21.700 11.415 1.00 0.00 C ATOM 0 H ALA B1582 18.290 20.086 9.474 1.00 0.00 H new ATOM 0 HA ALA B1582 17.547 19.779 12.304 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.175 22.205 12.179 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.823 21.764 11.672 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.597 22.179 10.451 1.00 0.00 H new ATOM 1046 N MET B1583 15.067 20.091 12.087 1.00 0.00 N ATOM 1047 CA MET B1583 13.623 19.904 11.987 1.00 0.00 C ATOM 1048 C MET B1583 12.958 20.966 11.114 1.00 0.00 C ATOM 1049 O MET B1583 13.222 22.160 11.265 1.00 0.00 O ATOM 1050 CB MET B1583 13.009 19.916 13.388 1.00 0.00 C ATOM 1051 CG MET B1583 11.501 20.058 13.396 1.00 0.00 C ATOM 1052 SD MET B1583 10.746 19.194 14.775 1.00 0.00 S ATOM 1053 CE MET B1583 11.141 17.519 14.300 1.00 0.00 C ATOM 0 H MET B1583 15.402 20.201 13.044 1.00 0.00 H new ATOM 0 HA MET B1583 13.446 18.941 11.509 1.00 0.00 H new ATOM 0 HB2 MET B1583 13.280 18.993 13.901 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.444 20.737 13.958 1.00 0.00 H new ATOM 0 HG2 MET B1583 11.238 21.115 13.443 1.00 0.00 H new ATOM 0 HG3 MET B1583 11.096 19.670 12.461 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.575 16.822 14.918 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.882 17.367 13.252 1.00 0.00 H new ATOM 0 HE3 MET B1583 12.208 17.343 14.439 1.00 0.00 H new ATOM 1063 N PRO B1584 12.074 20.535 10.192 1.00 0.00 N ATOM 1064 CA PRO B1584 11.321 21.426 9.339 1.00 0.00 C ATOM 1065 C PRO B1584 10.095 21.962 10.050 1.00 0.00 C ATOM 1066 O PRO B1584 9.886 21.719 11.240 1.00 0.00 O ATOM 1067 CB PRO B1584 10.898 20.555 8.146 1.00 0.00 C ATOM 1068 CG PRO B1584 11.359 19.170 8.454 1.00 0.00 C ATOM 1069 CD PRO B1584 11.721 19.144 9.911 1.00 0.00 C ATOM 0 HA PRO B1584 11.910 22.294 9.043 1.00 0.00 H new ATOM 0 HB2 PRO B1584 9.817 20.583 8.008 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.347 20.918 7.221 1.00 0.00 H new ATOM 0 HG2 PRO B1584 10.574 18.445 8.238 1.00 0.00 H new ATOM 0 HG3 PRO B1584 12.218 18.903 7.838 1.00 0.00 H new ATOM 0 HD2 PRO B1584 10.887 18.808 10.527 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.554 18.469 10.107 1.00 0.00 H new ATOM 1077 N THR B1585 9.288 22.683 9.315 1.00 0.00 N ATOM 1078 CA THR B1585 8.077 23.250 9.848 1.00 0.00 C ATOM 1079 C THR B1585 6.933 22.795 8.968 1.00 0.00 C ATOM 1080 O THR B1585 7.100 22.702 7.754 1.00 0.00 O ATOM 1081 CB THR B1585 8.149 24.792 9.874 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.366 25.207 10.512 1.00 0.00 O ATOM 1083 CG2 THR B1585 6.958 25.385 10.617 1.00 0.00 C ATOM 0 H THR B1585 9.452 22.893 8.331 1.00 0.00 H new ATOM 0 HA THR B1585 7.932 22.916 10.875 1.00 0.00 H new ATOM 0 HB THR B1585 8.127 25.152 8.845 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.411 26.186 10.526 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.035 26.472 10.619 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.035 25.088 10.120 1.00 0.00 H new ATOM 0 HG23 THR B1585 6.951 25.020 11.644 1.00 0.00 H new ATOM 1091 N LYS B1586 5.809 22.449 9.583 1.00 0.00 N ATOM 1092 CA LYS B1586 4.633 22.015 8.844 1.00 0.00 C ATOM 1093 C LYS B1586 4.322 22.988 7.711 1.00 0.00 C ATOM 1094 O LYS B1586 3.911 24.124 7.952 1.00 0.00 O ATOM 1095 CB LYS B1586 3.436 21.899 9.781 1.00 0.00 C ATOM 1096 CG LYS B1586 2.219 21.296 9.112 1.00 0.00 C ATOM 1097 CD LYS B1586 1.066 21.140 10.083 1.00 0.00 C ATOM 1098 CE LYS B1586 1.371 20.109 11.161 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.226 19.907 12.092 1.00 0.00 N ATOM 0 H LYS B1586 5.688 22.461 10.596 1.00 0.00 H new ATOM 0 HA LYS B1586 4.839 21.036 8.412 1.00 0.00 H new ATOM 0 HB2 LYS B1586 3.712 21.288 10.640 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.182 22.888 10.162 1.00 0.00 H new ATOM 0 HG2 LYS B1586 1.911 21.928 8.279 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.478 20.323 8.695 1.00 0.00 H new ATOM 0 HD2 LYS B1586 0.851 22.101 10.550 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.170 20.843 9.539 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.625 19.159 10.690 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.245 20.428 11.728 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 0.475 19.184 12.797 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.009 20.802 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 -0.607 19.593 11.555 1.00 0.00 H new ATOM 1113 N SER B1587 4.513 22.524 6.480 1.00 0.00 N ATOM 1114 CA SER B1587 4.361 23.370 5.291 1.00 0.00 C ATOM 1115 C SER B1587 2.894 23.645 4.976 1.00 0.00 C ATOM 1116 O SER B1587 2.557 24.047 3.859 1.00 0.00 O ATOM 1117 CB SER B1587 5.004 22.697 4.080 1.00 0.00 C ATOM 1118 OG SER B1587 6.295 22.195 4.381 1.00 0.00 O ATOM 0 H SER B1587 4.775 21.560 6.274 1.00 0.00 H new ATOM 0 HA SER B1587 4.856 24.317 5.505 1.00 0.00 H new ATOM 0 HB2 SER B1587 4.368 21.881 3.737 1.00 0.00 H new ATOM 0 HB3 SER B1587 5.074 23.413 3.261 1.00 0.00 H new ATOM 0 HG SER B1587 6.532 21.494 3.738 1.00 0.00 H new ATOM 1124 N SER B1588 2.039 23.422 5.969 1.00 0.00 N ATOM 1125 CA SER B1588 0.599 23.571 5.832 1.00 0.00 C ATOM 1126 C SER B1588 0.019 22.542 4.878 1.00 0.00 C ATOM 1127 O SER B1588 0.637 22.152 3.883 1.00 0.00 O ATOM 1128 CB SER B1588 0.228 24.974 5.359 1.00 0.00 C ATOM 1129 OG SER B1588 0.831 25.962 6.177 1.00 0.00 O ATOM 0 H SER B1588 2.332 23.130 6.901 1.00 0.00 H new ATOM 0 HA SER B1588 0.171 23.408 6.821 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.546 25.109 4.325 1.00 0.00 H new ATOM 0 HB3 SER B1588 -0.855 25.093 5.377 1.00 0.00 H new ATOM 0 HG SER B1588 0.580 26.852 5.853 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.167 22.086 5.200 1.00 0.00 N ATOM 1136 CA ARG B1589 -1.901 21.206 4.325 1.00 0.00 C ATOM 1137 C ARG B1589 -2.767 22.056 3.415 1.00 0.00 C ATOM 1138 O ARG B1589 -3.586 22.837 3.889 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.734 20.234 5.162 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.546 19.240 4.353 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.847 17.989 5.167 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.398 18.293 6.490 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.444 17.660 7.023 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.109 16.756 6.319 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -5.833 17.941 8.259 1.00 0.00 N ATOM 0 H ARG B1589 -1.648 22.313 6.070 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.227 20.611 3.709 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.068 19.684 5.826 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.412 20.808 5.794 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.479 19.703 4.033 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.999 18.968 3.450 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -4.553 17.365 4.619 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.932 17.408 5.284 1.00 0.00 H new ATOM 0 HE ARG B1589 -3.956 19.032 7.036 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.822 16.541 5.364 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.908 16.275 6.732 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -5.332 18.643 8.804 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -6.633 17.456 8.665 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.565 21.941 2.116 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.279 22.795 1.180 1.00 0.00 C ATOM 1161 C LYS B1590 -4.711 22.295 1.046 1.00 0.00 C ATOM 1162 O LYS B1590 -5.614 23.036 0.656 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.587 22.845 -0.191 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.207 22.187 -0.244 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.146 22.923 0.563 1.00 0.00 C ATOM 1166 CE LYS B1590 1.167 22.142 0.557 1.00 0.00 C ATOM 1167 NZ LYS B1590 2.234 22.805 1.355 1.00 0.00 N ATOM 0 H LYS B1590 -1.922 21.275 1.687 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.280 23.813 1.568 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -3.232 22.361 -0.924 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.487 23.888 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.287 21.165 0.125 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.883 22.126 -1.283 1.00 0.00 H new ATOM 0 HD2 LYS B1590 0.013 23.917 0.145 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.490 23.060 1.588 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.992 21.142 0.953 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.509 22.023 -0.471 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 3.097 22.225 1.331 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 2.436 23.743 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.916 22.911 2.339 1.00 0.00 H new ATOM 1181 N ALA B1591 -4.907 21.027 1.387 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.241 20.449 1.474 1.00 0.00 C ATOM 1183 C ALA B1591 -6.728 20.448 2.924 1.00 0.00 C ATOM 1184 O ALA B1591 -7.501 19.582 3.338 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.243 19.035 0.910 1.00 0.00 C ATOM 0 H ALA B1591 -4.153 20.377 1.609 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.923 21.059 0.882 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.247 18.616 0.982 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.934 19.060 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.550 18.415 1.479 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.251 21.420 3.699 1.00 0.00 N ATOM 1192 CA LYS B1592 -6.646 21.562 5.098 1.00 0.00 C ATOM 1193 C LYS B1592 -8.085 22.049 5.190 1.00 0.00 C ATOM 1194 O LYS B1592 -8.431 23.082 4.615 1.00 0.00 O ATOM 1195 CB LYS B1592 -5.731 22.568 5.803 1.00 0.00 C ATOM 1196 CG LYS B1592 -5.949 22.691 7.303 1.00 0.00 C ATOM 1197 CD LYS B1592 -5.288 21.551 8.064 1.00 0.00 C ATOM 1198 CE LYS B1592 -5.468 21.698 9.569 1.00 0.00 C ATOM 1199 NZ LYS B1592 -4.945 22.993 10.081 1.00 0.00 N ATOM 0 H LYS B1592 -5.587 22.125 3.379 1.00 0.00 H new ATOM 0 HA LYS B1592 -6.560 20.589 5.582 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -4.695 22.282 5.624 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -5.875 23.548 5.348 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -5.548 23.642 7.652 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -7.018 22.699 7.516 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -5.713 20.602 7.738 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -4.225 21.523 7.826 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -6.527 21.615 9.815 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -4.958 20.878 10.075 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -4.823 22.935 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -4.028 23.198 9.635 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -5.618 23.753 9.855 1.00 0.00 H new ATOM 1213 N LYS B1593 -8.920 21.311 5.902 1.00 0.00 N ATOM 1214 CA LYS B1593 -10.290 21.735 6.123 1.00 0.00 C ATOM 1215 C LYS B1593 -10.413 22.445 7.468 1.00 0.00 C ATOM 1216 O LYS B1593 -10.240 21.835 8.523 1.00 0.00 O ATOM 1217 CB LYS B1593 -11.257 20.548 6.041 1.00 0.00 C ATOM 1218 CG LYS B1593 -10.899 19.375 6.940 1.00 0.00 C ATOM 1219 CD LYS B1593 -11.961 18.289 6.875 1.00 0.00 C ATOM 1220 CE LYS B1593 -12.134 17.758 5.459 1.00 0.00 C ATOM 1221 NZ LYS B1593 -13.227 16.754 5.370 1.00 0.00 N ATOM 0 H LYS B1593 -8.674 20.420 6.334 1.00 0.00 H new ATOM 0 HA LYS B1593 -10.562 22.437 5.334 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -12.258 20.894 6.299 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -11.296 20.199 5.009 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -9.935 18.964 6.639 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -10.791 19.721 7.968 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -11.686 17.470 7.540 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -12.911 18.686 7.234 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -12.348 18.587 4.785 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -11.200 17.307 5.124 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -13.311 16.418 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -13.012 15.950 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -14.124 17.190 5.665 1.00 0.00 H new ATOM 1235 N PRO B1594 -10.681 23.756 7.445 1.00 0.00 N ATOM 1236 CA PRO B1594 -10.832 24.556 8.656 1.00 0.00 C ATOM 1237 C PRO B1594 -12.181 24.318 9.328 1.00 0.00 C ATOM 1238 O PRO B1594 -13.035 25.209 9.365 1.00 0.00 O ATOM 1239 CB PRO B1594 -10.727 26.011 8.159 1.00 0.00 C ATOM 1240 CG PRO B1594 -10.392 25.926 6.702 1.00 0.00 C ATOM 1241 CD PRO B1594 -10.850 24.574 6.241 1.00 0.00 C ATOM 0 HA PRO B1594 -10.082 24.303 9.405 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -11.665 26.545 8.313 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -9.957 26.555 8.705 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -10.891 26.717 6.142 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -9.321 26.049 6.542 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -11.886 24.590 5.903 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -10.249 24.203 5.410 1.00 0.00 H new ATOM 1249 N ALA B1595 -12.376 23.103 9.835 1.00 0.00 N ATOM 1250 CA ALA B1595 -13.606 22.748 10.537 1.00 0.00 C ATOM 1251 C ALA B1595 -13.844 23.699 11.699 1.00 0.00 C ATOM 1252 O ALA B1595 -14.909 24.303 11.816 1.00 0.00 O ATOM 1253 CB ALA B1595 -13.542 21.309 11.027 1.00 0.00 C ATOM 0 H ALA B1595 -11.695 22.346 9.772 1.00 0.00 H new ATOM 0 HA ALA B1595 -14.441 22.836 9.842 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -14.467 21.061 11.548 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -13.414 20.640 10.176 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -12.699 21.194 11.709 1.00 0.00 H new ATOM 1259 N GLN B1596 -12.837 23.830 12.547 1.00 0.00 N ATOM 1260 CA GLN B1596 -12.855 24.812 13.619 1.00 0.00 C ATOM 1261 C GLN B1596 -11.556 25.603 13.591 1.00 0.00 C ATOM 1262 O GLN B1596 -11.558 26.722 13.047 1.00 0.00 O ATOM 1263 CB GLN B1596 -13.043 24.152 14.991 1.00 0.00 C ATOM 1264 CG GLN B1596 -14.379 23.441 15.163 1.00 0.00 C ATOM 1265 CD GLN B1596 -14.686 23.123 16.616 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -14.264 23.841 17.525 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -15.422 22.051 16.849 1.00 0.00 N ATOM 1268 OXT GLN B1596 -10.525 25.080 14.072 1.00 0.00 O ATOM 0 H GLN B1596 -11.990 23.263 12.513 1.00 0.00 H new ATOM 0 HA GLN B1596 -13.702 25.479 13.461 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -12.239 23.434 15.150 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -12.947 24.914 15.765 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -15.174 24.065 14.755 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -14.372 22.516 14.586 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -15.753 21.481 16.071 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -15.659 21.793 17.807 1.00 0.00 H new TER 1277 GLN B1596