USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 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 Single : A1073 LYS NZ :NH3+ 179:sc= 0.831 (180deg=0.76) USER MOD Single : A1074 THR OG1 : rot 140:sc= 1.42 USER MOD Single : A1076 TYR OH : rot -174:sc= -0.926 USER MOD Single : A1078 CYS SG : rot 106:sc= -0.969 USER MOD Single : A1079 GLN : amide:sc= -0.524 K(o=-0.52,f=-2!) USER MOD Single : A1082 ASN : amide:sc= 0.733 K(o=0.73,f=-7.4!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.943 USER MOD Single : A1097 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS :FLIP no HE2:sc=-0.00301 F(o=-0.85,f=-0.003) USER MOD Single : A1112 GLN : amide:sc= -0.669 K(o=-0.67,f=-3.2!) USER MOD Single : A1116 LYS NZ :NH3+ -158:sc= -0.137 (180deg=-0.557) USER MOD Single : A1122 SER OG : rot -20:sc= 0.416 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1128 SER OG : rot -48:sc= 0.584 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0.325 USER MOD Single : B1583 MET CE :methyl -140:sc= -0.0124 (180deg=-0.263) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ -158:sc= 1 (180deg=-0.259!) USER MOD Single : B1587 SER OG : rot 18:sc= 0.367 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -172:sc= 0.886 (180deg=0.58) USER MOD Single : B1592 LYS NZ :NH3+ -125:sc= 1.08 (180deg=-2.69!) USER MOD Single : B1593 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.02) USER MOD Single : B1596 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 3.243 -1.255 -1.950 1.00 0.00 N ATOM 2 CA VAL A1069 4.721 -1.179 -2.035 1.00 0.00 C ATOM 3 C VAL A1069 5.218 0.224 -1.709 1.00 0.00 C ATOM 4 O VAL A1069 6.316 0.613 -2.114 1.00 0.00 O ATOM 5 CB VAL A1069 5.234 -1.584 -3.437 1.00 0.00 C ATOM 6 CG1 VAL A1069 5.006 -3.066 -3.683 1.00 0.00 C ATOM 7 CG2 VAL A1069 4.569 -0.747 -4.524 1.00 0.00 C ATOM 0 HA VAL A1069 5.113 -1.882 -1.300 1.00 0.00 H new ATOM 0 HB VAL A1069 6.306 -1.392 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL A1069 5.374 -3.331 -4.674 1.00 0.00 H new ATOM 0 HG12 VAL A1069 5.540 -3.646 -2.931 1.00 0.00 H new ATOM 0 HG13 VAL A1069 3.940 -3.285 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A1069 4.947 -1.051 -5.500 1.00 0.00 H new ATOM 0 HG22 VAL A1069 3.490 -0.897 -4.490 1.00 0.00 H new ATOM 0 HG23 VAL A1069 4.794 0.307 -4.360 1.00 0.00 H new ATOM 19 N ARG A1070 4.420 0.982 -0.971 1.00 0.00 N ATOM 20 CA ARG A1070 4.777 2.351 -0.653 1.00 0.00 C ATOM 21 C ARG A1070 4.778 2.580 0.852 1.00 0.00 C ATOM 22 O ARG A1070 3.731 2.615 1.500 1.00 0.00 O ATOM 23 CB ARG A1070 3.828 3.322 -1.346 1.00 0.00 C ATOM 24 CG ARG A1070 4.137 4.784 -1.071 1.00 0.00 C ATOM 25 CD ARG A1070 3.292 5.691 -1.944 1.00 0.00 C ATOM 26 NE ARG A1070 1.887 5.290 -1.941 1.00 0.00 N ATOM 27 CZ ARG A1070 0.946 5.846 -2.699 1.00 0.00 C ATOM 28 NH1 ARG A1070 1.241 6.858 -3.502 1.00 0.00 N ATOM 29 NH2 ARG A1070 -0.295 5.381 -2.655 1.00 0.00 N ATOM 0 H ARG A1070 3.528 0.673 -0.585 1.00 0.00 H new ATOM 0 HA ARG A1070 5.787 2.533 -1.019 1.00 0.00 H new ATOM 0 HB2 ARG A1070 3.867 3.148 -2.421 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.808 3.109 -1.026 1.00 0.00 H new ATOM 0 HG2 ARG A1070 3.951 5.008 -0.021 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.194 4.977 -1.255 1.00 0.00 H new ATOM 0 HD2 ARG A1070 3.378 6.719 -1.591 1.00 0.00 H new ATOM 0 HD3 ARG A1070 3.674 5.672 -2.965 1.00 0.00 H new ATOM 0 HE ARG A1070 1.609 4.533 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A1070 2.195 7.216 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A1070 0.514 7.279 -4.080 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -0.525 4.600 -2.041 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -1.019 5.805 -3.235 1.00 0.00 H new ATOM 43 N ARG A1071 5.969 2.743 1.391 1.00 0.00 N ATOM 44 CA ARG A1071 6.154 2.929 2.818 1.00 0.00 C ATOM 45 C ARG A1071 7.027 4.153 3.069 1.00 0.00 C ATOM 46 O ARG A1071 7.878 4.491 2.245 1.00 0.00 O ATOM 47 CB ARG A1071 6.812 1.681 3.421 1.00 0.00 C ATOM 48 CG ARG A1071 7.153 1.816 4.897 1.00 0.00 C ATOM 49 CD ARG A1071 8.188 0.792 5.329 1.00 0.00 C ATOM 50 NE ARG A1071 7.618 -0.526 5.588 1.00 0.00 N ATOM 51 CZ ARG A1071 8.250 -1.672 5.339 1.00 0.00 C ATOM 52 NH1 ARG A1071 9.407 -1.674 4.687 1.00 0.00 N ATOM 53 NH2 ARG A1071 7.717 -2.815 5.733 1.00 0.00 N ATOM 0 H ARG A1071 6.836 2.750 0.854 1.00 0.00 H new ATOM 0 HA ARG A1071 5.184 3.083 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.144 0.830 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.724 1.459 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.530 2.820 5.093 1.00 0.00 H new ATOM 0 HG3 ARG A1071 6.248 1.693 5.492 1.00 0.00 H new ATOM 0 HD2 ARG A1071 8.950 0.706 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.688 1.148 6.230 1.00 0.00 H new ATOM 0 HE ARG A1071 6.679 -0.573 5.984 1.00 0.00 H new ATOM 0 HH11 ARG A1071 9.817 -0.794 4.373 1.00 0.00 H new ATOM 0 HH12 ARG A1071 9.885 -2.555 4.500 1.00 0.00 H new ATOM 0 HH21 ARG A1071 6.824 -2.818 6.226 1.00 0.00 H new ATOM 0 HH22 ARG A1071 8.198 -3.694 5.544 1.00 0.00 H new ATOM 67 N VAL A1072 6.802 4.825 4.188 1.00 0.00 N ATOM 68 CA VAL A1072 7.632 5.951 4.581 1.00 0.00 C ATOM 69 C VAL A1072 8.195 5.731 5.976 1.00 0.00 C ATOM 70 O VAL A1072 7.561 5.103 6.828 1.00 0.00 O ATOM 71 CB VAL A1072 6.865 7.295 4.552 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.368 7.603 3.154 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.707 7.291 5.534 1.00 0.00 C ATOM 0 H VAL A1072 6.049 4.608 4.841 1.00 0.00 H new ATOM 0 HA VAL A1072 8.440 6.011 3.852 1.00 0.00 H new ATOM 0 HB VAL A1072 7.562 8.077 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.832 8.552 3.159 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.216 7.669 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.698 6.810 2.823 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.189 8.249 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A1072 5.013 6.491 5.275 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.086 7.130 6.543 1.00 0.00 H new ATOM 83 N LYS A1073 9.393 6.230 6.199 1.00 0.00 N ATOM 84 CA LYS A1073 10.006 6.169 7.516 1.00 0.00 C ATOM 85 C LYS A1073 10.080 7.578 8.056 1.00 0.00 C ATOM 86 O LYS A1073 10.513 8.495 7.354 1.00 0.00 O ATOM 87 CB LYS A1073 11.410 5.548 7.444 1.00 0.00 C ATOM 88 CG LYS A1073 11.845 4.810 8.711 1.00 0.00 C ATOM 89 CD LYS A1073 12.214 5.750 9.855 1.00 0.00 C ATOM 90 CE LYS A1073 13.484 6.537 9.557 1.00 0.00 C ATOM 91 NZ LYS A1073 13.905 7.375 10.715 1.00 0.00 N ATOM 0 H LYS A1073 9.965 6.684 5.486 1.00 0.00 H new ATOM 0 HA LYS A1073 9.408 5.538 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.443 4.853 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.132 6.337 7.233 1.00 0.00 H new ATOM 0 HG2 LYS A1073 11.039 4.152 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.701 4.176 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.392 6.442 10.035 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.351 5.173 10.769 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.287 5.846 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.320 7.175 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.782 7.881 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.157 8.063 10.936 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.070 6.766 11.542 1.00 0.00 H new ATOM 105 N THR A1074 9.640 7.760 9.279 1.00 0.00 N ATOM 106 CA THR A1074 9.618 9.074 9.874 1.00 0.00 C ATOM 107 C THR A1074 11.029 9.517 10.223 1.00 0.00 C ATOM 108 O THR A1074 11.702 8.914 11.064 1.00 0.00 O ATOM 109 CB THR A1074 8.740 9.090 11.129 1.00 0.00 C ATOM 110 OG1 THR A1074 9.285 8.209 12.102 1.00 0.00 O ATOM 111 CG2 THR A1074 7.327 8.651 10.797 1.00 0.00 C ATOM 0 H THR A1074 9.292 7.014 9.881 1.00 0.00 H new ATOM 0 HA THR A1074 9.195 9.768 9.148 1.00 0.00 H new ATOM 0 HB THR A1074 8.712 10.107 11.520 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.207 8.615 12.991 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.719 8.669 11.701 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.899 9.329 10.058 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.346 7.639 10.392 1.00 0.00 H new ATOM 119 N ILE A1075 11.490 10.553 9.551 1.00 0.00 N ATOM 120 CA ILE A1075 12.815 11.084 9.800 1.00 0.00 C ATOM 121 C ILE A1075 12.728 12.214 10.804 1.00 0.00 C ATOM 122 O ILE A1075 13.732 12.812 11.193 1.00 0.00 O ATOM 123 CB ILE A1075 13.485 11.568 8.501 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.530 12.437 7.678 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.957 10.376 7.688 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.117 12.916 6.366 1.00 0.00 C ATOM 0 H ILE A1075 10.966 11.044 8.827 1.00 0.00 H new ATOM 0 HA ILE A1075 13.434 10.284 10.206 1.00 0.00 H new ATOM 0 HB ILE A1075 14.347 12.181 8.765 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.622 11.870 7.474 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.238 13.303 8.272 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.430 10.726 6.770 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.676 9.800 8.270 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.104 9.745 7.439 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.382 13.525 5.839 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.009 13.512 6.562 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.383 12.056 5.751 1.00 0.00 H new ATOM 138 N TYR A1076 11.500 12.479 11.214 1.00 0.00 N ATOM 139 CA TYR A1076 11.195 13.498 12.198 1.00 0.00 C ATOM 140 C TYR A1076 10.034 13.082 13.074 1.00 0.00 C ATOM 141 O TYR A1076 9.442 12.019 12.880 1.00 0.00 O ATOM 142 CB TYR A1076 10.854 14.808 11.509 1.00 0.00 C ATOM 143 CG TYR A1076 12.074 15.570 11.129 1.00 0.00 C ATOM 144 CD1 TYR A1076 12.701 16.373 12.065 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.629 15.469 9.859 1.00 0.00 C ATOM 146 CE1 TYR A1076 13.842 17.048 11.753 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.767 16.155 9.544 1.00 0.00 C ATOM 148 CZ TYR A1076 14.365 16.939 10.497 1.00 0.00 C ATOM 149 OH TYR A1076 15.507 17.599 10.207 1.00 0.00 O ATOM 0 H TYR A1076 10.678 11.985 10.867 1.00 0.00 H new ATOM 0 HA TYR A1076 12.078 13.629 12.824 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.260 14.605 10.618 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.238 15.416 12.171 1.00 0.00 H new ATOM 0 HD1 TYR A1076 12.280 16.466 13.055 1.00 0.00 H new ATOM 0 HD2 TYR A1076 12.157 14.844 9.116 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.329 17.665 12.494 1.00 0.00 H new ATOM 0 HE2 TYR A1076 14.192 16.081 8.554 1.00 0.00 H new ATOM 0 HH TYR A1076 15.706 17.504 9.252 1.00 0.00 H new ATOM 159 N ASP A1077 9.715 13.938 14.030 1.00 0.00 N ATOM 160 CA ASP A1077 8.586 13.725 14.904 1.00 0.00 C ATOM 161 C ASP A1077 7.618 14.873 14.715 1.00 0.00 C ATOM 162 O ASP A1077 7.987 16.043 14.819 1.00 0.00 O ATOM 163 CB ASP A1077 9.020 13.594 16.373 1.00 0.00 C ATOM 164 CG ASP A1077 9.620 14.860 16.958 1.00 0.00 C ATOM 165 OD1 ASP A1077 10.630 15.353 16.415 1.00 0.00 O ATOM 166 OD2 ASP A1077 9.107 15.342 17.992 1.00 0.00 O ATOM 0 H ASP A1077 10.233 14.796 14.218 1.00 0.00 H new ATOM 0 HA ASP A1077 8.099 12.784 14.646 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.156 13.304 16.971 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.749 12.788 16.455 1.00 0.00 H new ATOM 171 N CYS A1078 6.392 14.533 14.400 1.00 0.00 N ATOM 172 CA CYS A1078 5.397 15.525 14.045 1.00 0.00 C ATOM 173 C CYS A1078 4.124 15.268 14.812 1.00 0.00 C ATOM 174 O CYS A1078 3.766 14.118 15.059 1.00 0.00 O ATOM 175 CB CYS A1078 5.119 15.485 12.544 1.00 0.00 C ATOM 176 SG CYS A1078 3.970 16.752 11.962 1.00 0.00 S ATOM 0 H CYS A1078 6.054 13.571 14.381 1.00 0.00 H new ATOM 0 HA CYS A1078 5.778 16.513 14.302 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.063 15.595 12.009 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.719 14.504 12.287 1.00 0.00 H new ATOM 0 HG CYS A1078 4.628 17.676 11.328 1.00 0.00 H new ATOM 182 N GLN A1079 3.442 16.330 15.184 1.00 0.00 N ATOM 183 CA GLN A1079 2.243 16.190 16.001 1.00 0.00 C ATOM 184 C GLN A1079 1.049 16.893 15.363 1.00 0.00 C ATOM 185 O GLN A1079 1.161 17.988 14.814 1.00 0.00 O ATOM 186 CB GLN A1079 2.529 16.687 17.424 1.00 0.00 C ATOM 187 CG GLN A1079 1.410 16.464 18.437 1.00 0.00 C ATOM 188 CD GLN A1079 0.370 17.563 18.429 1.00 0.00 C ATOM 189 OE1 GLN A1079 0.664 18.710 18.093 1.00 0.00 O ATOM 190 NE2 GLN A1079 -0.846 17.229 18.827 1.00 0.00 N ATOM 0 H GLN A1079 3.688 17.290 14.941 1.00 0.00 H new ATOM 0 HA GLN A1079 1.972 15.136 16.062 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.429 16.192 17.789 1.00 0.00 H new ATOM 0 HB3 GLN A1079 2.748 17.754 17.380 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.924 15.511 18.227 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.842 16.389 19.435 1.00 0.00 H new ATOM 0 HE21 GLN A1079 -1.048 16.266 19.097 1.00 0.00 H new ATOM 0 HE22 GLN A1079 -1.582 17.934 18.864 1.00 0.00 H new ATOM 199 N ALA A1080 -0.077 16.203 15.441 1.00 0.00 N ATOM 200 CA ALA A1080 -1.336 16.588 14.795 1.00 0.00 C ATOM 201 C ALA A1080 -1.845 17.979 15.179 1.00 0.00 C ATOM 202 O ALA A1080 -1.788 18.386 16.339 1.00 0.00 O ATOM 203 CB ALA A1080 -2.397 15.556 15.147 1.00 0.00 C ATOM 0 H ALA A1080 -0.150 15.333 15.969 1.00 0.00 H new ATOM 0 HA ALA A1080 -1.137 16.625 13.724 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.340 15.828 14.674 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -2.082 14.575 14.791 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.529 15.525 16.228 1.00 0.00 H new ATOM 209 N ASP A1081 -2.363 18.697 14.180 1.00 0.00 N ATOM 210 CA ASP A1081 -3.098 19.936 14.421 1.00 0.00 C ATOM 211 C ASP A1081 -4.483 19.597 14.927 1.00 0.00 C ATOM 212 O ASP A1081 -4.906 20.047 15.992 1.00 0.00 O ATOM 213 CB ASP A1081 -3.247 20.768 13.143 1.00 0.00 C ATOM 214 CG ASP A1081 -1.949 21.344 12.641 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.483 22.355 13.208 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.392 20.803 11.665 1.00 0.00 O ATOM 0 H ASP A1081 -2.286 18.439 13.196 1.00 0.00 H new ATOM 0 HA ASP A1081 -2.537 20.518 15.152 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -3.683 20.144 12.363 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -3.948 21.582 13.329 1.00 0.00 H new ATOM 221 N ASN A1082 -5.180 18.789 14.145 1.00 0.00 N ATOM 222 CA ASN A1082 -6.522 18.360 14.485 1.00 0.00 C ATOM 223 C ASN A1082 -6.543 16.838 14.605 1.00 0.00 C ATOM 224 O ASN A1082 -5.490 16.204 14.575 1.00 0.00 O ATOM 225 CB ASN A1082 -7.521 18.845 13.420 1.00 0.00 C ATOM 226 CG ASN A1082 -8.938 19.011 13.950 1.00 0.00 C ATOM 227 OD1 ASN A1082 -9.373 18.305 14.859 1.00 0.00 O ATOM 228 ND2 ASN A1082 -9.672 19.949 13.380 1.00 0.00 N ATOM 0 H ASN A1082 -4.832 18.415 13.262 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.818 18.794 15.440 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -7.178 19.798 13.018 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -7.531 18.135 12.593 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -10.631 20.106 13.691 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -9.280 20.517 12.629 1.00 0.00 H new ATOM 235 N ASP A1083 -7.718 16.254 14.726 1.00 0.00 N ATOM 236 CA ASP A1083 -7.843 14.814 14.940 1.00 0.00 C ATOM 237 C ASP A1083 -7.378 14.015 13.720 1.00 0.00 C ATOM 238 O ASP A1083 -6.936 12.872 13.843 1.00 0.00 O ATOM 239 CB ASP A1083 -9.298 14.470 15.268 1.00 0.00 C ATOM 240 CG ASP A1083 -9.476 13.029 15.700 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.327 12.748 16.906 1.00 0.00 O ATOM 242 OD2 ASP A1083 -9.787 12.175 14.844 1.00 0.00 O ATOM 0 H ASP A1083 -8.607 16.751 14.680 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.199 14.540 15.776 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.653 15.129 16.061 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.918 14.662 14.393 1.00 0.00 H new ATOM 247 N ASP A1084 -7.458 14.626 12.544 1.00 0.00 N ATOM 248 CA ASP A1084 -7.193 13.919 11.297 1.00 0.00 C ATOM 249 C ASP A1084 -5.733 14.031 10.850 1.00 0.00 C ATOM 250 O ASP A1084 -5.374 13.543 9.777 1.00 0.00 O ATOM 251 CB ASP A1084 -8.140 14.408 10.193 1.00 0.00 C ATOM 252 CG ASP A1084 -8.078 15.906 9.968 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.414 16.670 10.898 1.00 0.00 O ATOM 254 OD2 ASP A1084 -7.716 16.331 8.850 1.00 0.00 O ATOM 0 H ASP A1084 -7.704 15.609 12.428 1.00 0.00 H new ATOM 0 HA ASP A1084 -7.380 12.862 11.485 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -7.895 13.898 9.262 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -9.162 14.128 10.450 1.00 0.00 H new ATOM 259 N GLU A1085 -4.889 14.654 11.666 1.00 0.00 N ATOM 260 CA GLU A1085 -3.451 14.663 11.400 1.00 0.00 C ATOM 261 C GLU A1085 -2.781 13.483 12.099 1.00 0.00 C ATOM 262 O GLU A1085 -3.262 13.003 13.125 1.00 0.00 O ATOM 263 CB GLU A1085 -2.791 15.964 11.868 1.00 0.00 C ATOM 264 CG GLU A1085 -2.730 17.066 10.823 1.00 0.00 C ATOM 265 CD GLU A1085 -4.079 17.663 10.516 1.00 0.00 C ATOM 266 OE1 GLU A1085 -4.744 18.150 11.453 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.485 17.653 9.335 1.00 0.00 O ATOM 0 H GLU A1085 -5.170 15.155 12.509 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.321 14.583 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -3.334 16.337 12.736 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.777 15.741 12.198 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -2.062 17.853 11.172 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -2.299 16.665 9.905 1.00 0.00 H new ATOM 274 N LEU A1086 -1.680 13.017 11.540 1.00 0.00 N ATOM 275 CA LEU A1086 -0.955 11.894 12.114 1.00 0.00 C ATOM 276 C LEU A1086 0.209 12.373 12.980 1.00 0.00 C ATOM 277 O LEU A1086 1.129 13.028 12.486 1.00 0.00 O ATOM 278 CB LEU A1086 -0.412 10.989 11.008 1.00 0.00 C ATOM 279 CG LEU A1086 0.118 9.637 11.485 1.00 0.00 C ATOM 280 CD1 LEU A1086 -1.024 8.662 11.668 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.134 9.081 10.509 1.00 0.00 C ATOM 0 H LEU A1086 -1.266 13.397 10.689 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.654 11.336 12.737 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.204 10.816 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.390 11.515 10.489 1.00 0.00 H new ATOM 0 HG LEU A1086 0.613 9.783 12.445 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.633 7.703 12.008 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.721 9.053 12.409 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.542 8.526 10.719 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.497 8.119 10.870 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.667 8.950 9.533 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.971 9.774 10.421 1.00 0.00 H new ATOM 293 N THR A1087 0.166 12.049 14.266 1.00 0.00 N ATOM 294 CA THR A1087 1.298 12.303 15.143 1.00 0.00 C ATOM 295 C THR A1087 2.249 11.111 15.110 1.00 0.00 C ATOM 296 O THR A1087 1.893 10.000 15.514 1.00 0.00 O ATOM 297 CB THR A1087 0.861 12.571 16.602 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.078 13.651 16.653 1.00 0.00 O ATOM 299 CG2 THR A1087 2.061 12.897 17.482 1.00 0.00 C ATOM 0 H THR A1087 -0.636 11.613 14.721 1.00 0.00 H new ATOM 0 HA THR A1087 1.799 13.200 14.778 1.00 0.00 H new ATOM 0 HB THR A1087 0.388 11.664 16.979 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.346 13.807 17.582 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.725 13.081 18.502 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.756 12.057 17.475 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.562 13.786 17.099 1.00 0.00 H new ATOM 307 N PHE A1088 3.453 11.351 14.625 1.00 0.00 N ATOM 308 CA PHE A1088 4.456 10.301 14.501 1.00 0.00 C ATOM 309 C PHE A1088 5.776 10.766 15.094 1.00 0.00 C ATOM 310 O PHE A1088 6.011 11.964 15.232 1.00 0.00 O ATOM 311 CB PHE A1088 4.637 9.881 13.031 1.00 0.00 C ATOM 312 CG PHE A1088 4.996 11.002 12.084 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.268 11.554 12.082 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.064 11.491 11.181 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.602 12.567 11.207 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.395 12.506 10.305 1.00 0.00 C ATOM 317 CZ PHE A1088 5.663 13.044 10.319 1.00 0.00 C ATOM 0 H PHE A1088 3.765 12.269 14.308 1.00 0.00 H new ATOM 0 HA PHE A1088 4.111 9.429 15.056 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.415 9.120 12.980 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.714 9.416 12.686 1.00 0.00 H new ATOM 0 HD1 PHE A1088 7.009 11.185 12.776 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.068 11.073 11.163 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.598 12.985 11.218 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.659 12.878 9.608 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.921 13.839 9.635 1.00 0.00 H new ATOM 327 N ILE A1089 6.627 9.820 15.448 1.00 0.00 N ATOM 328 CA ILE A1089 7.919 10.145 16.042 1.00 0.00 C ATOM 329 C ILE A1089 9.055 9.542 15.230 1.00 0.00 C ATOM 330 O ILE A1089 8.879 8.515 14.582 1.00 0.00 O ATOM 331 CB ILE A1089 8.001 9.689 17.520 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.214 8.390 17.759 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.484 10.792 18.428 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.839 7.159 17.146 1.00 0.00 C ATOM 0 H ILE A1089 6.451 8.822 15.336 1.00 0.00 H new ATOM 0 HA ILE A1089 8.021 11.230 16.026 1.00 0.00 H new ATOM 0 HB ILE A1089 9.046 9.486 17.752 1.00 0.00 H new ATOM 0 HG12 ILE A1089 7.112 8.234 18.833 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.208 8.510 17.357 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.544 10.466 19.466 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.090 11.688 18.293 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.447 11.014 18.177 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.219 6.289 17.363 1.00 0.00 H new ATOM 0 HD12 ILE A1089 7.916 7.289 16.067 1.00 0.00 H new ATOM 0 HD13 ILE A1089 8.834 7.009 17.565 1.00 0.00 H new ATOM 346 N GLU A1090 10.207 10.207 15.254 1.00 0.00 N ATOM 347 CA GLU A1090 11.366 9.803 14.456 1.00 0.00 C ATOM 348 C GLU A1090 11.772 8.364 14.771 1.00 0.00 C ATOM 349 O GLU A1090 12.109 8.037 15.907 1.00 0.00 O ATOM 350 CB GLU A1090 12.532 10.769 14.709 1.00 0.00 C ATOM 351 CG GLU A1090 13.672 10.677 13.699 1.00 0.00 C ATOM 352 CD GLU A1090 14.589 9.490 13.917 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.221 9.412 14.991 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.695 8.637 13.009 1.00 0.00 O ATOM 0 H GLU A1090 10.365 11.038 15.824 1.00 0.00 H new ATOM 0 HA GLU A1090 11.097 9.845 13.401 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.147 11.789 14.709 1.00 0.00 H new ATOM 0 HB3 GLU A1090 12.932 10.580 15.705 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.252 10.620 12.695 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.261 11.593 13.746 1.00 0.00 H new ATOM 361 N GLY A1091 11.723 7.514 13.753 1.00 0.00 N ATOM 362 CA GLY A1091 12.042 6.110 13.932 1.00 0.00 C ATOM 363 C GLY A1091 10.839 5.232 13.661 1.00 0.00 C ATOM 364 O GLY A1091 10.935 4.003 13.634 1.00 0.00 O ATOM 0 H GLY A1091 11.466 7.774 12.801 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.856 5.832 13.262 1.00 0.00 H new ATOM 0 HA3 GLY A1091 12.395 5.942 14.949 1.00 0.00 H new ATOM 368 N GLU A1092 9.705 5.878 13.458 1.00 0.00 N ATOM 369 CA GLU A1092 8.454 5.198 13.182 1.00 0.00 C ATOM 370 C GLU A1092 8.343 4.834 11.704 1.00 0.00 C ATOM 371 O GLU A1092 9.040 5.391 10.851 1.00 0.00 O ATOM 372 CB GLU A1092 7.287 6.091 13.591 1.00 0.00 C ATOM 373 CG GLU A1092 5.976 5.362 13.783 1.00 0.00 C ATOM 374 CD GLU A1092 6.129 4.110 14.623 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.452 3.044 14.050 1.00 0.00 O ATOM 376 OE2 GLU A1092 5.930 4.188 15.849 1.00 0.00 O ATOM 0 H GLU A1092 9.626 6.895 13.480 1.00 0.00 H new ATOM 0 HA GLU A1092 8.426 4.274 13.760 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.544 6.601 14.520 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.152 6.861 12.832 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.258 6.030 14.259 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.566 5.095 12.809 1.00 0.00 H new ATOM 383 N VAL A1093 7.451 3.906 11.420 1.00 0.00 N ATOM 384 CA VAL A1093 7.273 3.374 10.079 1.00 0.00 C ATOM 385 C VAL A1093 5.812 3.480 9.663 1.00 0.00 C ATOM 386 O VAL A1093 4.931 2.885 10.290 1.00 0.00 O ATOM 387 CB VAL A1093 7.725 1.898 10.000 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.398 1.296 8.644 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.214 1.776 10.286 1.00 0.00 C ATOM 0 H VAL A1093 6.826 3.497 12.114 1.00 0.00 H new ATOM 0 HA VAL A1093 7.890 3.963 9.401 1.00 0.00 H new ATOM 0 HB VAL A1093 7.177 1.341 10.760 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.728 0.257 8.618 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.322 1.340 8.477 1.00 0.00 H new ATOM 0 HG13 VAL A1093 7.910 1.859 7.863 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.512 0.729 10.225 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.774 2.356 9.552 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.425 2.156 11.286 1.00 0.00 H new ATOM 399 N ILE A1094 5.557 4.235 8.606 1.00 0.00 N ATOM 400 CA ILE A1094 4.193 4.467 8.161 1.00 0.00 C ATOM 401 C ILE A1094 3.957 3.833 6.799 1.00 0.00 C ATOM 402 O ILE A1094 4.755 4.003 5.876 1.00 0.00 O ATOM 403 CB ILE A1094 3.871 5.973 8.061 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.367 6.720 9.301 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.371 6.178 7.885 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.226 8.223 9.197 1.00 0.00 C ATOM 0 H ILE A1094 6.273 4.695 8.043 1.00 0.00 H new ATOM 0 HA ILE A1094 3.539 4.013 8.905 1.00 0.00 H new ATOM 0 HB ILE A1094 4.388 6.378 7.191 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.813 6.370 10.172 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.415 6.472 9.470 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.155 7.244 7.816 1.00 0.00 H new ATOM 0 HG22 ILE A1094 2.040 5.681 6.973 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.843 5.756 8.740 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.597 8.687 10.111 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.803 8.585 8.346 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.176 8.481 9.059 1.00 0.00 H new ATOM 418 N ILE A1095 2.871 3.096 6.683 1.00 0.00 N ATOM 419 CA ILE A1095 2.468 2.536 5.405 1.00 0.00 C ATOM 420 C ILE A1095 1.513 3.514 4.722 1.00 0.00 C ATOM 421 O ILE A1095 0.481 3.873 5.296 1.00 0.00 O ATOM 422 CB ILE A1095 1.774 1.164 5.574 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.664 0.201 6.370 1.00 0.00 C ATOM 424 CG2 ILE A1095 1.434 0.568 4.216 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.994 -0.099 5.708 1.00 0.00 C ATOM 0 H ILE A1095 2.249 2.869 7.459 1.00 0.00 H new ATOM 0 HA ILE A1095 3.360 2.381 4.798 1.00 0.00 H new ATOM 0 HB ILE A1095 0.848 1.316 6.129 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.849 0.625 7.357 1.00 0.00 H new ATOM 0 HG13 ILE A1095 2.126 -0.735 6.521 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.946 -0.397 4.354 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.763 1.240 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A1095 2.349 0.433 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.564 -0.787 6.333 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.821 -0.554 4.733 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.555 0.827 5.582 1.00 0.00 H new ATOM 437 N VAL A1096 1.860 3.960 3.520 1.00 0.00 N ATOM 438 CA VAL A1096 1.074 4.981 2.837 1.00 0.00 C ATOM 439 C VAL A1096 -0.130 4.361 2.139 1.00 0.00 C ATOM 440 O VAL A1096 0.017 3.578 1.199 1.00 0.00 O ATOM 441 CB VAL A1096 1.915 5.758 1.803 1.00 0.00 C ATOM 442 CG1 VAL A1096 1.120 6.916 1.214 1.00 0.00 C ATOM 443 CG2 VAL A1096 3.203 6.262 2.432 1.00 0.00 C ATOM 0 H VAL A1096 2.675 3.633 3.001 1.00 0.00 H new ATOM 0 HA VAL A1096 0.734 5.680 3.601 1.00 0.00 H new ATOM 0 HB VAL A1096 2.170 5.075 0.993 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.735 7.448 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.228 6.531 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.827 7.599 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.783 6.807 1.687 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.966 6.925 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.785 5.416 2.796 1.00 0.00 H new ATOM 453 N THR A1097 -1.315 4.722 2.605 1.00 0.00 N ATOM 454 CA THR A1097 -2.550 4.177 2.073 1.00 0.00 C ATOM 455 C THR A1097 -3.251 5.169 1.145 1.00 0.00 C ATOM 456 O THR A1097 -4.158 4.795 0.399 1.00 0.00 O ATOM 457 CB THR A1097 -3.505 3.780 3.214 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.598 4.843 4.170 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.029 2.509 3.906 1.00 0.00 C ATOM 0 H THR A1097 -1.446 5.397 3.358 1.00 0.00 H new ATOM 0 HA THR A1097 -2.287 3.291 1.495 1.00 0.00 H new ATOM 0 HB THR A1097 -4.488 3.592 2.783 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.208 4.582 4.891 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.721 2.250 4.708 1.00 0.00 H new ATOM 0 HG22 THR A1097 -2.990 1.694 3.183 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.035 2.672 4.323 1.00 0.00 H new ATOM 467 N GLY A1098 -2.843 6.431 1.194 1.00 0.00 N ATOM 468 CA GLY A1098 -3.450 7.434 0.343 1.00 0.00 C ATOM 469 C GLY A1098 -2.673 8.734 0.324 1.00 0.00 C ATOM 470 O GLY A1098 -1.578 8.823 0.878 1.00 0.00 O ATOM 0 H GLY A1098 -2.104 6.776 1.807 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.525 7.046 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.466 7.628 0.686 1.00 0.00 H new ATOM 474 N GLU A1099 -3.251 9.742 -0.305 1.00 0.00 N ATOM 475 CA GLU A1099 -2.632 11.048 -0.427 1.00 0.00 C ATOM 476 C GLU A1099 -3.706 12.126 -0.350 1.00 0.00 C ATOM 477 O GLU A1099 -4.786 11.976 -0.916 1.00 0.00 O ATOM 478 CB GLU A1099 -1.866 11.145 -1.753 1.00 0.00 C ATOM 479 CG GLU A1099 -1.425 12.551 -2.119 1.00 0.00 C ATOM 480 CD GLU A1099 -0.823 12.622 -3.505 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.376 12.310 -3.655 1.00 0.00 O ATOM 482 OE2 GLU A1099 -1.550 12.986 -4.455 1.00 0.00 O ATOM 0 H GLU A1099 -4.168 9.676 -0.747 1.00 0.00 H new ATOM 0 HA GLU A1099 -1.924 11.193 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -0.986 10.504 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.496 10.755 -2.552 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -2.281 13.224 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.695 12.902 -1.390 1.00 0.00 H new ATOM 489 N GLU A1100 -3.411 13.194 0.366 1.00 0.00 N ATOM 490 CA GLU A1100 -4.348 14.299 0.517 1.00 0.00 C ATOM 491 C GLU A1100 -3.773 15.534 -0.152 1.00 0.00 C ATOM 492 O GLU A1100 -4.476 16.301 -0.813 1.00 0.00 O ATOM 493 CB GLU A1100 -4.599 14.573 2.004 1.00 0.00 C ATOM 494 CG GLU A1100 -5.464 15.796 2.277 1.00 0.00 C ATOM 495 CD GLU A1100 -6.935 15.573 1.988 1.00 0.00 C ATOM 496 OE1 GLU A1100 -7.330 15.597 0.808 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.710 15.394 2.953 1.00 0.00 O ATOM 0 H GLU A1100 -2.526 13.323 0.856 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.297 14.040 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.076 13.699 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -3.640 14.702 2.505 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.347 16.088 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -5.105 16.628 1.671 1.00 0.00 H new ATOM 504 N ASP A1101 -2.476 15.698 0.008 1.00 0.00 N ATOM 505 CA ASP A1101 -1.765 16.841 -0.516 1.00 0.00 C ATOM 506 C ASP A1101 -0.443 16.359 -1.094 1.00 0.00 C ATOM 507 O ASP A1101 -0.098 15.191 -0.935 1.00 0.00 O ATOM 508 CB ASP A1101 -1.523 17.847 0.613 1.00 0.00 C ATOM 509 CG ASP A1101 -1.256 19.255 0.136 1.00 0.00 C ATOM 510 OD1 ASP A1101 -0.156 19.513 -0.398 1.00 0.00 O ATOM 511 OD2 ASP A1101 -2.139 20.114 0.325 1.00 0.00 O ATOM 0 H ASP A1101 -1.883 15.036 0.509 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.346 17.331 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.393 17.856 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -0.676 17.510 1.210 1.00 0.00 H new ATOM 516 N GLN A1102 0.298 17.234 -1.738 1.00 0.00 N ATOM 517 CA GLN A1102 1.607 16.875 -2.269 1.00 0.00 C ATOM 518 C GLN A1102 2.542 16.561 -1.117 1.00 0.00 C ATOM 519 O GLN A1102 3.387 15.668 -1.190 1.00 0.00 O ATOM 520 CB GLN A1102 2.181 18.026 -3.099 1.00 0.00 C ATOM 521 CG GLN A1102 2.600 19.224 -2.260 1.00 0.00 C ATOM 522 CD GLN A1102 3.159 20.367 -3.083 1.00 0.00 C ATOM 523 OE1 GLN A1102 2.429 21.270 -3.493 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.458 20.338 -3.325 1.00 0.00 N ATOM 0 H GLN A1102 0.022 18.201 -1.910 1.00 0.00 H new ATOM 0 HA GLN A1102 1.504 16.001 -2.912 1.00 0.00 H new ATOM 0 HB2 GLN A1102 3.043 17.665 -3.660 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.437 18.345 -3.829 1.00 0.00 H new ATOM 0 HG2 GLN A1102 1.740 19.580 -1.693 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.350 18.907 -1.535 1.00 0.00 H new ATOM 0 HE21 GLN A1102 5.027 19.571 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A1102 4.892 21.083 -3.870 1.00 0.00 H new ATOM 533 N GLU A1103 2.343 17.296 -0.045 1.00 0.00 N ATOM 534 CA GLU A1103 3.206 17.231 1.110 1.00 0.00 C ATOM 535 C GLU A1103 2.457 16.640 2.303 1.00 0.00 C ATOM 536 O GLU A1103 2.917 16.698 3.441 1.00 0.00 O ATOM 537 CB GLU A1103 3.682 18.638 1.433 1.00 0.00 C ATOM 538 CG GLU A1103 4.862 18.670 2.363 1.00 0.00 C ATOM 539 CD GLU A1103 6.179 18.443 1.658 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.404 19.055 0.593 1.00 0.00 O ATOM 541 OE2 GLU A1103 7.011 17.683 2.186 1.00 0.00 O ATOM 0 H GLU A1103 1.573 17.959 0.049 1.00 0.00 H new ATOM 0 HA GLU A1103 4.060 16.588 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.946 19.146 0.506 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.861 19.198 1.881 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.890 19.634 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A1103 4.732 17.908 3.131 1.00 0.00 H new ATOM 548 N TRP A1104 1.295 16.079 2.029 1.00 0.00 N ATOM 549 CA TRP A1104 0.455 15.496 3.070 1.00 0.00 C ATOM 550 C TRP A1104 -0.171 14.201 2.582 1.00 0.00 C ATOM 551 O TRP A1104 -1.115 14.210 1.791 1.00 0.00 O ATOM 552 CB TRP A1104 -0.650 16.466 3.488 1.00 0.00 C ATOM 553 CG TRP A1104 -0.156 17.651 4.248 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.330 18.820 3.736 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.104 17.782 5.669 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.683 19.667 4.754 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.422 19.053 5.950 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.454 16.945 6.729 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.609 19.508 7.248 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.274 17.397 8.019 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.253 18.672 8.269 1.00 0.00 C ATOM 0 H TRP A1104 0.905 16.012 1.089 1.00 0.00 H new ATOM 0 HA TRP A1104 1.089 15.290 3.933 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.174 16.811 2.597 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.377 15.932 4.099 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.423 19.044 2.684 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.076 20.601 4.640 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.858 15.961 6.542 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.021 20.487 7.444 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.543 16.760 8.849 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.380 19.000 9.290 1.00 0.00 H new ATOM 572 N TRP A1105 0.355 13.088 3.047 1.00 0.00 N ATOM 573 CA TRP A1105 -0.133 11.794 2.610 1.00 0.00 C ATOM 574 C TRP A1105 -0.905 11.120 3.724 1.00 0.00 C ATOM 575 O TRP A1105 -0.837 11.530 4.882 1.00 0.00 O ATOM 576 CB TRP A1105 1.022 10.913 2.125 1.00 0.00 C ATOM 577 CG TRP A1105 1.633 11.423 0.857 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.320 12.587 0.229 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.640 10.795 0.059 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.074 12.745 -0.898 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.897 11.652 -1.031 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.353 9.600 0.162 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.840 11.347 -2.008 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.283 9.297 -0.812 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.522 10.167 -1.883 1.00 0.00 C ATOM 0 H TRP A1105 1.117 13.051 3.724 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.810 11.944 1.769 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.787 10.862 2.900 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.660 9.897 1.968 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.577 13.290 0.574 1.00 0.00 H new ATOM 0 HE1 TRP A1105 2.033 13.541 -1.535 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.181 8.925 0.988 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 4.027 12.017 -2.834 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.837 8.372 -0.747 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.260 9.901 -2.626 1.00 0.00 H new ATOM 596 N ILE A1106 -1.638 10.092 3.364 1.00 0.00 N ATOM 597 CA ILE A1106 -2.495 9.406 4.301 1.00 0.00 C ATOM 598 C ILE A1106 -2.002 7.990 4.485 1.00 0.00 C ATOM 599 O ILE A1106 -1.664 7.312 3.517 1.00 0.00 O ATOM 600 CB ILE A1106 -3.952 9.366 3.804 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.447 10.779 3.495 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.847 8.693 4.837 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.805 10.804 2.837 1.00 0.00 C ATOM 0 H ILE A1106 -1.657 9.710 2.418 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.466 9.948 5.246 1.00 0.00 H new ATOM 0 HB ILE A1106 -3.992 8.781 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.489 11.353 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.726 11.275 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.873 8.673 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.502 7.673 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.806 9.251 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.097 11.836 2.645 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.763 10.257 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.537 10.336 3.495 1.00 0.00 H new ATOM 615 N GLY A1107 -1.930 7.560 5.721 1.00 0.00 N ATOM 616 CA GLY A1107 -1.499 6.216 5.989 1.00 0.00 C ATOM 617 C GLY A1107 -1.667 5.836 7.430 1.00 0.00 C ATOM 618 O GLY A1107 -2.388 6.499 8.178 1.00 0.00 O ATOM 0 H GLY A1107 -2.161 8.115 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.066 5.525 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.451 6.111 5.709 1.00 0.00 H new ATOM 622 N HIS A1108 -0.993 4.775 7.824 1.00 0.00 N ATOM 623 CA HIS A1108 -1.081 4.280 9.184 1.00 0.00 C ATOM 624 C HIS A1108 0.230 3.629 9.587 1.00 0.00 C ATOM 625 O HIS A1108 0.958 3.109 8.737 1.00 0.00 O ATOM 626 CB HIS A1108 -2.249 3.288 9.338 1.00 0.00 C ATOM 627 CG HIS A1108 -2.122 2.011 8.557 1.00 0.00 C ATOM 628 ND1 HIS A1108 -1.356 0.915 8.768 1.00 0.00 N flip ATOM 629 CD2 HIS A1108 -2.884 1.728 7.447 1.00 0.00 C flip ATOM 630 CE1 HIS A1108 -1.668 -0.001 7.797 1.00 0.00 C flip ATOM 631 NE2 HIS A1108 -2.592 0.518 7.013 1.00 0.00 N flip ATOM 0 H HIS A1108 -0.375 4.236 7.218 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.273 5.125 9.845 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.354 3.038 10.394 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.169 3.788 9.036 1.00 0.00 H new ATOM 0 HD1 HIS A1108 -0.671 0.793 9.514 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -3.608 2.393 7.001 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -1.230 -0.983 7.692 1.00 0.00 H new ATOM 640 N ILE A1109 0.529 3.675 10.874 1.00 0.00 N ATOM 641 CA ILE A1109 1.742 3.065 11.400 1.00 0.00 C ATOM 642 C ILE A1109 1.698 1.558 11.179 1.00 0.00 C ATOM 643 O ILE A1109 0.658 0.929 11.363 1.00 0.00 O ATOM 644 CB ILE A1109 1.903 3.357 12.908 1.00 0.00 C ATOM 645 CG1 ILE A1109 1.835 4.866 13.184 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.206 2.778 13.433 1.00 0.00 C ATOM 647 CD1 ILE A1109 2.749 5.700 12.310 1.00 0.00 C ATOM 0 H ILE A1109 -0.053 4.130 11.578 1.00 0.00 H new ATOM 0 HA ILE A1109 2.594 3.493 10.872 1.00 0.00 H new ATOM 0 HB ILE A1109 1.077 2.877 13.433 1.00 0.00 H new ATOM 0 HG12 ILE A1109 0.808 5.204 13.043 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.088 5.044 14.229 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.298 2.996 14.497 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.212 1.699 13.282 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.044 3.224 12.897 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.639 6.753 12.570 1.00 0.00 H new ATOM 0 HD12 ILE A1109 3.783 5.393 12.468 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.483 5.555 11.263 1.00 0.00 H new ATOM 659 N GLU A1110 2.825 0.989 10.763 1.00 0.00 N ATOM 660 CA GLU A1110 2.898 -0.437 10.480 1.00 0.00 C ATOM 661 C GLU A1110 2.748 -1.251 11.763 1.00 0.00 C ATOM 662 O GLU A1110 2.201 -2.351 11.751 1.00 0.00 O ATOM 663 CB GLU A1110 4.218 -0.785 9.789 1.00 0.00 C ATOM 664 CG GLU A1110 4.303 -2.241 9.363 1.00 0.00 C ATOM 665 CD GLU A1110 5.644 -2.607 8.771 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.600 -2.816 9.546 1.00 0.00 O ATOM 667 OE2 GLU A1110 5.745 -2.700 7.528 1.00 0.00 O ATOM 0 H GLU A1110 3.699 1.494 10.615 1.00 0.00 H new ATOM 0 HA GLU A1110 2.076 -0.689 9.809 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.341 -0.149 8.913 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.044 -0.561 10.464 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.107 -2.878 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.521 -2.446 8.631 1.00 0.00 H new ATOM 674 N GLY A1111 3.249 -0.706 12.865 1.00 0.00 N ATOM 675 CA GLY A1111 3.104 -1.367 14.146 1.00 0.00 C ATOM 676 C GLY A1111 1.741 -1.121 14.760 1.00 0.00 C ATOM 677 O GLY A1111 1.157 -2.015 15.372 1.00 0.00 O ATOM 0 H GLY A1111 3.752 0.181 12.894 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.257 -2.439 14.020 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.878 -1.012 14.827 1.00 0.00 H new ATOM 681 N GLN A1112 1.238 0.095 14.594 1.00 0.00 N ATOM 682 CA GLN A1112 -0.072 0.470 15.110 1.00 0.00 C ATOM 683 C GLN A1112 -1.000 0.848 13.957 1.00 0.00 C ATOM 684 O GLN A1112 -1.129 2.023 13.613 1.00 0.00 O ATOM 685 CB GLN A1112 0.042 1.641 16.098 1.00 0.00 C ATOM 686 CG GLN A1112 0.715 1.294 17.423 1.00 0.00 C ATOM 687 CD GLN A1112 2.212 1.072 17.304 1.00 0.00 C ATOM 688 OE1 GLN A1112 2.879 1.670 16.461 1.00 0.00 O ATOM 689 NE2 GLN A1112 2.751 0.215 18.152 1.00 0.00 N ATOM 0 H GLN A1112 1.723 0.845 14.101 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.488 -0.386 15.640 1.00 0.00 H new ATOM 0 HB2 GLN A1112 0.601 2.447 15.622 1.00 0.00 H new ATOM 0 HB3 GLN A1112 -0.958 2.024 16.303 1.00 0.00 H new ATOM 0 HG2 GLN A1112 0.531 2.098 18.136 1.00 0.00 H new ATOM 0 HG3 GLN A1112 0.254 0.394 17.831 1.00 0.00 H new ATOM 0 HE21 GLN A1112 2.165 -0.262 18.837 1.00 0.00 H new ATOM 0 HE22 GLN A1112 3.754 0.030 18.122 1.00 0.00 H new ATOM 698 N PRO A1113 -1.667 -0.152 13.357 1.00 0.00 N ATOM 699 CA PRO A1113 -2.464 0.034 12.134 1.00 0.00 C ATOM 700 C PRO A1113 -3.652 0.985 12.303 1.00 0.00 C ATOM 701 O PRO A1113 -4.092 1.610 11.339 1.00 0.00 O ATOM 702 CB PRO A1113 -2.961 -1.379 11.807 1.00 0.00 C ATOM 703 CG PRO A1113 -2.862 -2.132 13.087 1.00 0.00 C ATOM 704 CD PRO A1113 -1.690 -1.549 13.818 1.00 0.00 C ATOM 0 HA PRO A1113 -1.863 0.494 11.350 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -3.987 -1.361 11.439 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -2.352 -1.841 11.030 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -3.776 -2.031 13.671 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -2.717 -3.197 12.904 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -1.817 -1.614 14.899 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.764 -2.069 13.573 1.00 0.00 H new ATOM 712 N GLU A1114 -4.171 1.100 13.520 1.00 0.00 N ATOM 713 CA GLU A1114 -5.322 1.961 13.770 1.00 0.00 C ATOM 714 C GLU A1114 -4.879 3.379 14.123 1.00 0.00 C ATOM 715 O GLU A1114 -5.705 4.276 14.323 1.00 0.00 O ATOM 716 CB GLU A1114 -6.217 1.361 14.858 1.00 0.00 C ATOM 717 CG GLU A1114 -5.479 0.981 16.125 1.00 0.00 C ATOM 718 CD GLU A1114 -5.515 2.065 17.182 1.00 0.00 C ATOM 719 OE1 GLU A1114 -6.571 2.233 17.822 1.00 0.00 O ATOM 720 OE2 GLU A1114 -4.491 2.748 17.381 1.00 0.00 O ATOM 0 H GLU A1114 -3.817 0.613 14.343 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.910 2.024 12.854 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -6.999 2.078 15.107 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -6.712 0.476 14.459 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -5.916 0.069 16.533 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -4.441 0.755 15.880 1.00 0.00 H new ATOM 727 N ARG A1115 -3.571 3.579 14.196 1.00 0.00 N ATOM 728 CA ARG A1115 -3.015 4.915 14.311 1.00 0.00 C ATOM 729 C ARG A1115 -2.765 5.447 12.916 1.00 0.00 C ATOM 730 O ARG A1115 -1.720 5.204 12.306 1.00 0.00 O ATOM 731 CB ARG A1115 -1.741 4.922 15.155 1.00 0.00 C ATOM 732 CG ARG A1115 -2.007 4.546 16.601 1.00 0.00 C ATOM 733 CD ARG A1115 -0.805 4.778 17.496 1.00 0.00 C ATOM 734 NE ARG A1115 -1.112 4.439 18.885 1.00 0.00 N ATOM 735 CZ ARG A1115 -1.095 5.313 19.889 1.00 0.00 C ATOM 736 NH1 ARG A1115 -0.735 6.573 19.674 1.00 0.00 N ATOM 737 NH2 ARG A1115 -1.431 4.926 21.110 1.00 0.00 N ATOM 0 H ARG A1115 -2.877 2.832 14.177 1.00 0.00 H new ATOM 0 HA ARG A1115 -3.723 5.564 14.827 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -1.020 4.225 14.727 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -1.288 5.913 15.117 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -2.850 5.127 16.974 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -2.296 3.496 16.652 1.00 0.00 H new ATOM 0 HD2 ARG A1115 0.034 4.175 17.148 1.00 0.00 H new ATOM 0 HD3 ARG A1115 -0.496 5.821 17.432 1.00 0.00 H new ATOM 0 HE ARG A1115 -1.355 3.471 19.098 1.00 0.00 H new ATOM 0 HH11 ARG A1115 -0.470 6.875 18.736 1.00 0.00 H new ATOM 0 HH12 ARG A1115 -0.724 7.239 20.446 1.00 0.00 H new ATOM 0 HH21 ARG A1115 -1.703 3.958 21.281 1.00 0.00 H new ATOM 0 HH22 ARG A1115 -1.418 5.596 21.879 1.00 0.00 H new ATOM 751 N LYS A1116 -3.762 6.153 12.421 1.00 0.00 N ATOM 752 CA LYS A1116 -3.841 6.528 11.024 1.00 0.00 C ATOM 753 C LYS A1116 -4.302 7.969 10.873 1.00 0.00 C ATOM 754 O LYS A1116 -4.895 8.539 11.790 1.00 0.00 O ATOM 755 CB LYS A1116 -4.819 5.586 10.324 1.00 0.00 C ATOM 756 CG LYS A1116 -6.065 5.320 11.153 1.00 0.00 C ATOM 757 CD LYS A1116 -6.890 4.183 10.588 1.00 0.00 C ATOM 758 CE LYS A1116 -7.696 4.617 9.373 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.657 5.703 9.700 1.00 0.00 N ATOM 0 H LYS A1116 -4.546 6.485 12.982 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.853 6.448 10.572 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.109 6.016 9.365 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.319 4.641 10.112 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.776 5.084 12.177 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -6.673 6.224 11.194 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.232 3.359 10.312 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -7.565 3.808 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.017 4.957 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.239 3.761 8.974 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.419 5.717 8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -9.063 5.535 10.643 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.162 6.618 9.694 1.00 0.00 H new ATOM 773 N GLY A1117 -4.045 8.539 9.712 1.00 0.00 N ATOM 774 CA GLY A1117 -4.383 9.926 9.470 1.00 0.00 C ATOM 775 C GLY A1117 -3.528 10.533 8.381 1.00 0.00 C ATOM 776 O GLY A1117 -2.909 9.810 7.593 1.00 0.00 O ATOM 0 H GLY A1117 -3.605 8.064 8.924 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.434 10.000 9.190 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.257 10.496 10.390 1.00 0.00 H new ATOM 780 N VAL A1118 -3.489 11.857 8.335 1.00 0.00 N ATOM 781 CA VAL A1118 -2.707 12.561 7.333 1.00 0.00 C ATOM 782 C VAL A1118 -1.433 13.130 7.953 1.00 0.00 C ATOM 783 O VAL A1118 -1.480 13.883 8.925 1.00 0.00 O ATOM 784 CB VAL A1118 -3.509 13.700 6.676 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.786 14.209 5.442 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.914 13.237 6.322 1.00 0.00 C ATOM 0 H VAL A1118 -3.991 12.465 8.982 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.448 11.837 6.561 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.594 14.518 7.391 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.364 15.014 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.802 14.584 5.725 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.672 13.395 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.462 14.058 5.859 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.857 12.401 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.432 12.920 7.227 1.00 0.00 H new ATOM 796 N PHE A1119 -0.304 12.745 7.392 1.00 0.00 N ATOM 797 CA PHE A1119 1.001 13.161 7.893 1.00 0.00 C ATOM 798 C PHE A1119 1.756 13.989 6.854 1.00 0.00 C ATOM 799 O PHE A1119 1.614 13.766 5.647 1.00 0.00 O ATOM 800 CB PHE A1119 1.822 11.927 8.290 1.00 0.00 C ATOM 801 CG PHE A1119 1.863 10.838 7.245 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.872 9.870 7.201 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.895 10.774 6.319 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.906 8.864 6.259 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.935 9.762 5.373 1.00 0.00 C ATOM 806 CZ PHE A1119 1.936 8.807 5.344 1.00 0.00 C ATOM 0 H PHE A1119 -0.260 12.135 6.576 1.00 0.00 H new ATOM 0 HA PHE A1119 0.847 13.789 8.770 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.843 12.241 8.509 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.411 11.514 9.211 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.062 9.904 7.915 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.675 11.521 6.336 1.00 0.00 H new ATOM 0 HE1 PHE A1119 0.124 8.119 6.238 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.745 9.720 4.660 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.962 8.018 4.607 1.00 0.00 H new ATOM 816 N PRO A1120 2.566 14.965 7.307 1.00 0.00 N ATOM 817 CA PRO A1120 3.374 15.786 6.414 1.00 0.00 C ATOM 818 C PRO A1120 4.614 15.057 5.914 1.00 0.00 C ATOM 819 O PRO A1120 5.428 14.558 6.699 1.00 0.00 O ATOM 820 CB PRO A1120 3.774 16.982 7.271 1.00 0.00 C ATOM 821 CG PRO A1120 3.729 16.494 8.678 1.00 0.00 C ATOM 822 CD PRO A1120 2.746 15.347 8.721 1.00 0.00 C ATOM 0 HA PRO A1120 2.820 16.059 5.516 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.771 17.336 7.010 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.090 17.818 7.123 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.716 16.167 9.004 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.419 17.292 9.352 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.131 14.516 9.311 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.802 15.649 9.174 1.00 0.00 H new ATOM 830 N VAL A1121 4.758 15.038 4.600 1.00 0.00 N ATOM 831 CA VAL A1121 5.863 14.369 3.928 1.00 0.00 C ATOM 832 C VAL A1121 7.206 15.019 4.288 1.00 0.00 C ATOM 833 O VAL A1121 8.262 14.409 4.149 1.00 0.00 O ATOM 834 CB VAL A1121 5.639 14.394 2.398 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.818 13.807 1.640 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.355 13.653 2.036 1.00 0.00 C ATOM 0 H VAL A1121 4.105 15.491 3.961 1.00 0.00 H new ATOM 0 HA VAL A1121 5.896 13.333 4.266 1.00 0.00 H new ATOM 0 HB VAL A1121 5.546 15.438 2.100 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.617 13.845 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.716 14.383 1.861 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.967 12.771 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.212 13.680 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.427 12.617 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.508 14.132 2.526 1.00 0.00 H new ATOM 846 N SER A1122 7.149 16.243 4.793 1.00 0.00 N ATOM 847 CA SER A1122 8.349 16.992 5.147 1.00 0.00 C ATOM 848 C SER A1122 9.132 16.325 6.282 1.00 0.00 C ATOM 849 O SER A1122 10.354 16.453 6.362 1.00 0.00 O ATOM 850 CB SER A1122 7.961 18.411 5.546 1.00 0.00 C ATOM 851 OG SER A1122 7.155 19.004 4.543 1.00 0.00 O ATOM 0 H SER A1122 6.277 16.743 4.968 1.00 0.00 H new ATOM 0 HA SER A1122 9.000 17.013 4.273 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.421 18.394 6.493 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.858 19.010 5.701 1.00 0.00 H new ATOM 0 HG SER A1122 7.287 18.530 3.695 1.00 0.00 H new ATOM 857 N PHE A1123 8.429 15.605 7.147 1.00 0.00 N ATOM 858 CA PHE A1123 9.043 15.023 8.337 1.00 0.00 C ATOM 859 C PHE A1123 9.241 13.522 8.137 1.00 0.00 C ATOM 860 O PHE A1123 9.727 12.817 9.024 1.00 0.00 O ATOM 861 CB PHE A1123 8.163 15.254 9.581 1.00 0.00 C ATOM 862 CG PHE A1123 7.794 16.692 9.889 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.492 17.593 8.879 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.733 17.132 11.204 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.141 18.889 9.161 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.377 18.434 11.501 1.00 0.00 C ATOM 867 CZ PHE A1123 7.080 19.318 10.470 1.00 0.00 C ATOM 0 H PHE A1123 7.433 15.409 7.048 1.00 0.00 H new ATOM 0 HA PHE A1123 10.006 15.509 8.492 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.242 14.684 9.459 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.681 14.841 10.447 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.534 17.268 7.850 1.00 0.00 H new ATOM 0 HD2 PHE A1123 7.967 16.448 12.006 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.912 19.573 8.357 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.330 18.763 12.529 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.802 20.337 10.694 1.00 0.00 H new ATOM 877 N VAL A1124 8.838 13.032 6.976 1.00 0.00 N ATOM 878 CA VAL A1124 8.999 11.621 6.642 1.00 0.00 C ATOM 879 C VAL A1124 9.761 11.477 5.331 1.00 0.00 C ATOM 880 O VAL A1124 10.035 12.463 4.656 1.00 0.00 O ATOM 881 CB VAL A1124 7.639 10.887 6.537 1.00 0.00 C ATOM 882 CG1 VAL A1124 6.967 10.793 7.897 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.714 11.577 5.546 1.00 0.00 C ATOM 0 H VAL A1124 8.396 13.590 6.246 1.00 0.00 H new ATOM 0 HA VAL A1124 9.564 11.159 7.452 1.00 0.00 H new ATOM 0 HB VAL A1124 7.840 9.879 6.175 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.014 10.274 7.797 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.610 10.242 8.583 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.794 11.796 8.288 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.768 11.038 5.495 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.531 12.601 5.871 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.179 11.587 4.560 1.00 0.00 H new ATOM 893 N HIS A1125 10.126 10.257 4.977 1.00 0.00 N ATOM 894 CA HIS A1125 10.827 10.028 3.729 1.00 0.00 C ATOM 895 C HIS A1125 10.298 8.771 3.066 1.00 0.00 C ATOM 896 O HIS A1125 10.142 7.735 3.715 1.00 0.00 O ATOM 897 CB HIS A1125 12.334 9.919 3.978 1.00 0.00 C ATOM 898 CG HIS A1125 13.157 9.826 2.730 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.514 10.920 1.974 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.707 8.756 2.120 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.240 10.525 0.946 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.374 9.214 1.011 1.00 0.00 N ATOM 0 H HIS A1125 9.950 9.419 5.531 1.00 0.00 H new ATOM 0 HA HIS A1125 10.654 10.873 3.062 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.660 10.787 4.551 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.527 9.040 4.593 1.00 0.00 H new ATOM 0 HD2 HIS A1125 13.636 7.728 2.444 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.654 11.166 0.181 1.00 0.00 H new ATOM 0 HE2 HIS A1125 14.889 8.636 0.347 1.00 0.00 H new ATOM 911 N ILE A1126 10.016 8.878 1.779 1.00 0.00 N ATOM 912 CA ILE A1126 9.471 7.763 1.022 1.00 0.00 C ATOM 913 C ILE A1126 10.559 6.731 0.767 1.00 0.00 C ATOM 914 O ILE A1126 11.667 7.066 0.353 1.00 0.00 O ATOM 915 CB ILE A1126 8.835 8.211 -0.325 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.513 8.954 -0.098 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.604 7.021 -1.243 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.664 10.373 0.407 1.00 0.00 C ATOM 0 H ILE A1126 10.156 9.729 1.234 1.00 0.00 H new ATOM 0 HA ILE A1126 8.674 7.323 1.622 1.00 0.00 H new ATOM 0 HB ILE A1126 9.539 8.893 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A1126 6.957 8.974 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.913 8.390 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.159 7.363 -2.177 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.556 6.533 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.932 6.313 -0.759 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.678 10.819 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.189 10.365 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.234 10.958 -0.315 1.00 0.00 H new ATOM 930 N LEU A1127 10.235 5.479 1.035 1.00 0.00 N ATOM 931 CA LEU A1127 11.187 4.392 0.904 1.00 0.00 C ATOM 932 C LEU A1127 10.911 3.598 -0.366 1.00 0.00 C ATOM 933 O LEU A1127 10.488 2.441 -0.318 1.00 0.00 O ATOM 934 CB LEU A1127 11.093 3.498 2.137 1.00 0.00 C ATOM 935 CG LEU A1127 11.130 4.265 3.457 1.00 0.00 C ATOM 936 CD1 LEU A1127 10.638 3.397 4.598 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.535 4.773 3.746 1.00 0.00 C ATOM 0 H LEU A1127 9.309 5.188 1.348 1.00 0.00 H new ATOM 0 HA LEU A1127 12.197 4.794 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.169 2.922 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.915 2.783 2.120 1.00 0.00 H new ATOM 0 HG LEU A1127 10.465 5.123 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A1127 10.673 3.964 5.528 1.00 0.00 H new ATOM 0 HD12 LEU A1127 9.612 3.085 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A1127 11.274 2.516 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A1127 12.538 5.316 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.221 3.929 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.853 5.439 2.944 1.00 0.00 H new ATOM 949 N SER A1128 11.139 4.237 -1.503 1.00 0.00 N ATOM 950 CA SER A1128 10.917 3.610 -2.794 1.00 0.00 C ATOM 951 C SER A1128 12.252 3.406 -3.497 1.00 0.00 C ATOM 952 O SER A1128 12.325 3.314 -4.724 1.00 0.00 O ATOM 953 CB SER A1128 9.976 4.467 -3.651 1.00 0.00 C ATOM 954 OG SER A1128 9.625 3.806 -4.856 1.00 0.00 O ATOM 0 H SER A1128 11.480 5.197 -1.556 1.00 0.00 H new ATOM 0 HA SER A1128 10.445 2.639 -2.645 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.074 4.696 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A1128 10.457 5.417 -3.883 1.00 0.00 H new ATOM 0 HG SER A1128 10.433 3.453 -5.283 1.00 0.00 H new ATOM 960 N ASP A1129 13.307 3.346 -2.705 1.00 0.00 N ATOM 961 CA ASP A1129 14.643 3.137 -3.221 1.00 0.00 C ATOM 962 C ASP A1129 15.308 2.007 -2.453 1.00 0.00 C ATOM 963 O ASP A1129 15.861 2.268 -1.367 1.00 0.00 O ATOM 964 CB ASP A1129 15.465 4.422 -3.109 1.00 0.00 C ATOM 965 CG ASP A1129 16.844 4.289 -3.722 1.00 0.00 C ATOM 966 OD1 ASP A1129 16.952 4.310 -4.968 1.00 0.00 O ATOM 967 OD2 ASP A1129 17.833 4.204 -2.966 1.00 0.00 O ATOM 968 OXT ASP A1129 15.230 0.851 -2.914 1.00 0.00 O ATOM 0 H ASP A1129 13.260 3.441 -1.690 1.00 0.00 H new ATOM 0 HA ASP A1129 14.584 2.866 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A1129 14.930 5.235 -3.601 1.00 0.00 H new ATOM 0 HB3 ASP A1129 15.564 4.695 -2.058 1.00 0.00 H new TER 973 ASP A1129 ATOM 974 N CYS B1578 17.460 8.534 13.064 1.00 0.00 N ATOM 975 CA CYS B1578 18.174 9.205 11.955 1.00 0.00 C ATOM 976 C CYS B1578 17.405 10.438 11.495 1.00 0.00 C ATOM 977 O CYS B1578 16.484 10.341 10.680 1.00 0.00 O ATOM 978 CB CYS B1578 18.365 8.239 10.785 1.00 0.00 C ATOM 979 SG CYS B1578 19.270 6.732 11.213 1.00 0.00 S ATOM 0 HA CYS B1578 19.154 9.519 12.316 1.00 0.00 H new ATOM 0 HB2 CYS B1578 17.387 7.963 10.392 1.00 0.00 H new ATOM 0 HB3 CYS B1578 18.896 8.754 9.985 1.00 0.00 H new ATOM 0 HG CYS B1578 19.379 5.977 10.160 1.00 0.00 H new ATOM 987 N ILE B1579 17.778 11.590 12.036 1.00 0.00 N ATOM 988 CA ILE B1579 17.154 12.857 11.672 1.00 0.00 C ATOM 989 C ILE B1579 17.766 13.404 10.387 1.00 0.00 C ATOM 990 O ILE B1579 18.987 13.426 10.233 1.00 0.00 O ATOM 991 CB ILE B1579 17.314 13.904 12.800 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.561 13.463 14.056 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.826 15.270 12.345 1.00 0.00 C ATOM 994 CD1 ILE B1579 16.659 14.463 15.189 1.00 0.00 C ATOM 0 H ILE B1579 18.516 11.674 12.735 1.00 0.00 H new ATOM 0 HA ILE B1579 16.092 12.667 11.517 1.00 0.00 H new ATOM 0 HB ILE B1579 18.375 13.981 13.040 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.511 13.307 13.807 1.00 0.00 H new ATOM 0 HG13 ILE B1579 16.955 12.504 14.391 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.949 15.989 13.155 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.406 15.594 11.481 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.773 15.208 12.072 1.00 0.00 H new ATOM 0 HD11 ILE B1579 16.104 14.092 16.051 1.00 0.00 H new ATOM 0 HD12 ILE B1579 17.705 14.601 15.463 1.00 0.00 H new ATOM 0 HD13 ILE B1579 16.238 15.417 14.870 1.00 0.00 H new ATOM 1006 N ILE B1580 16.921 13.830 9.463 1.00 0.00 N ATOM 1007 CA ILE B1580 17.395 14.396 8.210 1.00 0.00 C ATOM 1008 C ILE B1580 17.381 15.922 8.290 1.00 0.00 C ATOM 1009 O ILE B1580 16.337 16.552 8.149 1.00 0.00 O ATOM 1010 CB ILE B1580 16.539 13.867 7.019 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.163 12.598 6.435 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.333 14.903 5.928 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.278 11.475 7.436 1.00 0.00 C ATOM 0 H ILE B1580 15.906 13.795 9.556 1.00 0.00 H new ATOM 0 HA ILE B1580 18.424 14.082 8.035 1.00 0.00 H new ATOM 0 HB ILE B1580 15.553 13.636 7.423 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.563 12.262 5.590 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.154 12.834 6.048 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.730 14.474 5.128 1.00 0.00 H new ATOM 0 HG22 ILE B1580 15.821 15.771 6.343 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.300 15.209 5.529 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.728 10.605 6.957 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.903 11.794 8.270 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.286 11.213 7.805 1.00 0.00 H new ATOM 1025 N SER B1581 18.565 16.496 8.514 1.00 0.00 N ATOM 1026 CA SER B1581 18.732 17.942 8.686 1.00 0.00 C ATOM 1027 C SER B1581 18.231 18.389 10.071 1.00 0.00 C ATOM 1028 O SER B1581 18.453 17.704 11.071 1.00 0.00 O ATOM 1029 CB SER B1581 18.006 18.700 7.562 1.00 0.00 C ATOM 1030 OG SER B1581 18.341 20.081 7.544 1.00 0.00 O ATOM 0 H SER B1581 19.437 15.971 8.581 1.00 0.00 H new ATOM 0 HA SER B1581 19.794 18.179 8.626 1.00 0.00 H new ATOM 0 HB2 SER B1581 18.261 18.253 6.601 1.00 0.00 H new ATOM 0 HB3 SER B1581 16.929 18.591 7.689 1.00 0.00 H new ATOM 0 HG SER B1581 17.860 20.525 6.815 1.00 0.00 H new ATOM 1036 N ALA B1582 17.580 19.549 10.122 1.00 0.00 N ATOM 1037 CA ALA B1582 16.933 20.031 11.345 1.00 0.00 C ATOM 1038 C ALA B1582 15.446 20.222 11.091 1.00 0.00 C ATOM 1039 O ALA B1582 15.050 20.394 9.934 1.00 0.00 O ATOM 1040 CB ALA B1582 17.565 21.330 11.817 1.00 0.00 C ATOM 0 H ALA B1582 17.485 20.178 9.325 1.00 0.00 H new ATOM 0 HA ALA B1582 17.070 19.289 12.132 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.067 21.667 12.726 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.623 21.167 12.022 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.458 22.089 11.042 1.00 0.00 H new ATOM 1046 N MET B1583 14.639 20.200 12.161 1.00 0.00 N ATOM 1047 CA MET B1583 13.177 20.122 12.046 1.00 0.00 C ATOM 1048 C MET B1583 12.631 20.996 10.930 1.00 0.00 C ATOM 1049 O MET B1583 12.784 22.224 10.935 1.00 0.00 O ATOM 1050 CB MET B1583 12.489 20.470 13.372 1.00 0.00 C ATOM 1051 CG MET B1583 11.003 20.768 13.224 1.00 0.00 C ATOM 1052 SD MET B1583 10.119 20.756 14.794 1.00 0.00 S ATOM 1053 CE MET B1583 10.059 18.997 15.112 1.00 0.00 C ATOM 0 H MET B1583 14.978 20.235 13.122 1.00 0.00 H new ATOM 0 HA MET B1583 12.950 19.086 11.794 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.618 19.641 14.068 1.00 0.00 H new ATOM 0 HB3 MET B1583 12.983 21.336 13.813 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.879 21.743 12.752 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.556 20.031 12.557 1.00 0.00 H new ATOM 0 HE1 MET B1583 9.085 18.735 15.525 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.217 18.453 14.181 1.00 0.00 H new ATOM 0 HE3 MET B1583 10.839 18.729 15.825 1.00 0.00 H new ATOM 1063 N PRO B1584 11.982 20.349 9.951 1.00 0.00 N ATOM 1064 CA PRO B1584 11.391 21.030 8.819 1.00 0.00 C ATOM 1065 C PRO B1584 10.141 21.769 9.247 1.00 0.00 C ATOM 1066 O PRO B1584 9.779 21.768 10.424 1.00 0.00 O ATOM 1067 CB PRO B1584 11.048 19.896 7.856 1.00 0.00 C ATOM 1068 CG PRO B1584 10.817 18.724 8.736 1.00 0.00 C ATOM 1069 CD PRO B1584 11.751 18.896 9.897 1.00 0.00 C ATOM 0 HA PRO B1584 12.050 21.775 8.373 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.163 20.130 7.265 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.861 19.712 7.153 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.780 18.684 9.070 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.017 17.792 8.207 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.310 18.527 10.823 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.681 18.349 9.746 1.00 0.00 H new ATOM 1077 N THR B1585 9.475 22.380 8.307 1.00 0.00 N ATOM 1078 CA THR B1585 8.304 23.147 8.624 1.00 0.00 C ATOM 1079 C THR B1585 7.070 22.451 8.093 1.00 0.00 C ATOM 1080 O THR B1585 6.978 22.156 6.898 1.00 0.00 O ATOM 1081 CB THR B1585 8.387 24.558 8.025 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.748 25.011 8.045 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.516 25.527 8.809 1.00 0.00 C ATOM 0 H THR B1585 9.723 22.362 7.318 1.00 0.00 H new ATOM 0 HA THR B1585 8.243 23.232 9.709 1.00 0.00 H new ATOM 0 HB THR B1585 8.027 24.520 6.997 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.799 25.911 7.661 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.589 26.521 8.368 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.479 25.192 8.777 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.854 25.564 9.845 1.00 0.00 H new ATOM 1091 N LYS B1586 6.148 22.156 8.990 1.00 0.00 N ATOM 1092 CA LYS B1586 4.849 21.650 8.609 1.00 0.00 C ATOM 1093 C LYS B1586 4.160 22.744 7.808 1.00 0.00 C ATOM 1094 O LYS B1586 3.555 23.662 8.359 1.00 0.00 O ATOM 1095 CB LYS B1586 4.065 21.243 9.860 1.00 0.00 C ATOM 1096 CG LYS B1586 2.720 20.602 9.580 1.00 0.00 C ATOM 1097 CD LYS B1586 1.603 21.618 9.704 1.00 0.00 C ATOM 1098 CE LYS B1586 1.627 22.261 11.076 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.105 21.360 12.129 1.00 0.00 N ATOM 0 H LYS B1586 6.280 22.260 9.996 1.00 0.00 H new ATOM 0 HA LYS B1586 4.923 20.755 7.992 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.670 20.548 10.442 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.910 22.126 10.479 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.718 20.173 8.578 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.551 19.782 10.278 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.711 22.383 8.935 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.641 21.133 9.539 1.00 0.00 H new ATOM 0 HE2 LYS B1586 2.649 22.549 11.322 1.00 0.00 H new ATOM 0 HE3 LYS B1586 1.034 23.175 11.057 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 0.791 21.924 12.944 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.301 20.817 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 1.855 20.705 12.429 1.00 0.00 H new ATOM 1113 N SER B1587 4.309 22.635 6.496 1.00 0.00 N ATOM 1114 CA SER B1587 4.004 23.719 5.555 1.00 0.00 C ATOM 1115 C SER B1587 2.505 23.958 5.387 1.00 0.00 C ATOM 1116 O SER B1587 2.072 24.539 4.388 1.00 0.00 O ATOM 1117 CB SER B1587 4.629 23.394 4.196 1.00 0.00 C ATOM 1118 OG SER B1587 6.009 23.085 4.327 1.00 0.00 O ATOM 0 H SER B1587 4.648 21.786 6.044 1.00 0.00 H new ATOM 0 HA SER B1587 4.426 24.636 5.967 1.00 0.00 H new ATOM 0 HB2 SER B1587 4.106 22.551 3.744 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.506 24.243 3.524 1.00 0.00 H new ATOM 0 HG SER B1587 6.208 22.865 5.261 1.00 0.00 H new ATOM 1124 N SER B1588 1.733 23.528 6.378 1.00 0.00 N ATOM 1125 CA SER B1588 0.281 23.598 6.342 1.00 0.00 C ATOM 1126 C SER B1588 -0.282 22.703 5.246 1.00 0.00 C ATOM 1127 O SER B1588 0.395 22.361 4.276 1.00 0.00 O ATOM 1128 CB SER B1588 -0.201 25.038 6.161 1.00 0.00 C ATOM 1129 OG SER B1588 0.329 25.883 7.174 1.00 0.00 O ATOM 0 H SER B1588 2.102 23.118 7.236 1.00 0.00 H new ATOM 0 HA SER B1588 -0.089 23.237 7.302 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.101 25.406 5.180 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.290 25.067 6.191 1.00 0.00 H new ATOM 0 HG SER B1588 0.009 26.799 7.037 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.519 22.311 5.418 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.161 21.403 4.500 1.00 0.00 C ATOM 1137 C ARG B1589 -3.154 22.166 3.630 1.00 0.00 C ATOM 1138 O ARG B1589 -4.108 22.755 4.128 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.830 20.302 5.320 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.565 19.241 4.526 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.950 18.095 5.445 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.144 17.383 5.002 1.00 0.00 N ATOM 1143 CZ ARG B1589 -6.029 16.841 5.838 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -5.819 16.878 7.146 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -7.110 16.237 5.366 1.00 0.00 N ATOM 0 H ARG B1589 -2.108 22.611 6.195 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.439 20.944 3.824 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.068 19.812 5.926 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.535 20.766 6.009 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.457 19.668 4.067 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -2.934 18.875 3.716 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.118 17.393 5.509 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -4.117 18.483 6.450 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.310 17.295 3.999 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -4.978 17.322 7.515 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.498 16.462 7.784 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.267 16.186 4.359 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -7.785 15.823 6.009 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.912 22.170 2.329 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.747 22.923 1.397 1.00 0.00 C ATOM 1161 C LYS B1590 -5.113 22.269 1.296 1.00 0.00 C ATOM 1162 O LYS B1590 -6.137 22.939 1.172 1.00 0.00 O ATOM 1163 CB LYS B1590 -3.094 23.008 0.011 1.00 0.00 C ATOM 1164 CG LYS B1590 -2.023 24.093 -0.132 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.831 23.898 0.804 1.00 0.00 C ATOM 1166 CE LYS B1590 -0.209 22.517 0.676 1.00 0.00 C ATOM 1167 NZ LYS B1590 0.133 22.171 -0.729 1.00 0.00 N ATOM 0 H LYS B1590 -2.144 21.661 1.891 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.858 23.939 1.775 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.646 22.042 -0.223 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -3.872 23.186 -0.731 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.667 24.108 -1.162 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -2.474 25.066 0.064 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.076 24.654 0.588 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -1.153 24.054 1.834 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.692 22.471 1.287 1.00 0.00 H new ATOM 0 HE3 LYS B1590 -0.901 21.773 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 0.426 21.174 -0.780 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 -0.699 22.318 -1.335 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 0.912 22.778 -1.056 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.117 20.949 1.367 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.353 20.191 1.409 1.00 0.00 C ATOM 1183 C ALA B1591 -6.745 19.893 2.856 1.00 0.00 C ATOM 1184 O ALA B1591 -7.291 18.833 3.163 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.209 18.905 0.609 1.00 0.00 C ATOM 0 H ALA B1591 -4.272 20.378 1.397 1.00 0.00 H new ATOM 0 HA ALA B1591 -7.147 20.786 0.958 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.144 18.345 0.649 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.974 19.146 -0.428 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.406 18.301 1.032 1.00 0.00 H new ATOM 1191 N LYS B1592 -6.436 20.829 3.749 1.00 0.00 N ATOM 1192 CA LYS B1592 -6.806 20.704 5.153 1.00 0.00 C ATOM 1193 C LYS B1592 -8.266 21.083 5.334 1.00 0.00 C ATOM 1194 O LYS B1592 -8.596 22.254 5.503 1.00 0.00 O ATOM 1195 CB LYS B1592 -5.912 21.596 6.028 1.00 0.00 C ATOM 1196 CG LYS B1592 -6.277 21.601 7.506 1.00 0.00 C ATOM 1197 CD LYS B1592 -6.134 20.223 8.132 1.00 0.00 C ATOM 1198 CE LYS B1592 -6.881 20.144 9.453 1.00 0.00 C ATOM 1199 NZ LYS B1592 -6.872 18.771 10.017 1.00 0.00 N ATOM 0 H LYS B1592 -5.929 21.684 3.523 1.00 0.00 H new ATOM 0 HA LYS B1592 -6.664 19.669 5.464 1.00 0.00 H new ATOM 0 HB2 LYS B1592 -4.878 21.266 5.923 1.00 0.00 H new ATOM 0 HB3 LYS B1592 -5.960 22.618 5.651 1.00 0.00 H new ATOM 0 HG2 LYS B1592 -5.638 22.308 8.035 1.00 0.00 H new ATOM 0 HG3 LYS B1592 -7.303 21.949 7.625 1.00 0.00 H new ATOM 0 HD2 LYS B1592 -6.518 19.467 7.447 1.00 0.00 H new ATOM 0 HD3 LYS B1592 -5.079 20.001 8.293 1.00 0.00 H new ATOM 0 HE2 LYS B1592 -6.428 20.832 10.167 1.00 0.00 H new ATOM 0 HE3 LYS B1592 -7.911 20.469 9.307 1.00 0.00 H new ATOM 0 HZ1 LYS B1592 -7.849 18.463 10.195 1.00 0.00 H new ATOM 0 HZ2 LYS B1592 -6.422 18.121 9.341 1.00 0.00 H new ATOM 0 HZ3 LYS B1592 -6.339 18.766 10.910 1.00 0.00 H new ATOM 1213 N LYS B1593 -9.139 20.094 5.251 1.00 0.00 N ATOM 1214 CA LYS B1593 -10.555 20.321 5.467 1.00 0.00 C ATOM 1215 C LYS B1593 -10.837 20.483 6.956 1.00 0.00 C ATOM 1216 O LYS B1593 -10.609 19.558 7.740 1.00 0.00 O ATOM 1217 CB LYS B1593 -11.391 19.176 4.886 1.00 0.00 C ATOM 1218 CG LYS B1593 -11.390 19.146 3.364 1.00 0.00 C ATOM 1219 CD LYS B1593 -10.460 18.084 2.799 1.00 0.00 C ATOM 1220 CE LYS B1593 -11.022 16.686 3.005 1.00 0.00 C ATOM 1221 NZ LYS B1593 -10.265 15.658 2.242 1.00 0.00 N ATOM 0 H LYS B1593 -8.892 19.128 5.036 1.00 0.00 H new ATOM 0 HA LYS B1593 -10.838 21.238 4.951 1.00 0.00 H new ATOM 0 HB2 LYS B1593 -11.008 18.227 5.262 1.00 0.00 H new ATOM 0 HB3 LYS B1593 -12.418 19.268 5.241 1.00 0.00 H new ATOM 0 HG2 LYS B1593 -12.404 18.962 3.008 1.00 0.00 H new ATOM 0 HG3 LYS B1593 -11.091 20.124 2.986 1.00 0.00 H new ATOM 0 HD2 LYS B1593 -10.306 18.262 1.735 1.00 0.00 H new ATOM 0 HD3 LYS B1593 -9.485 18.160 3.279 1.00 0.00 H new ATOM 0 HE2 LYS B1593 -10.998 16.439 4.066 1.00 0.00 H new ATOM 0 HE3 LYS B1593 -12.068 16.668 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS B1593 -10.875 14.833 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS B1593 -9.959 16.057 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS B1593 -9.431 15.364 2.789 1.00 0.00 H new ATOM 1235 N PRO B1594 -11.316 21.667 7.370 1.00 0.00 N ATOM 1236 CA PRO B1594 -11.634 21.960 8.768 1.00 0.00 C ATOM 1237 C PRO B1594 -12.973 21.356 9.177 1.00 0.00 C ATOM 1238 O PRO B1594 -13.857 22.049 9.689 1.00 0.00 O ATOM 1239 CB PRO B1594 -11.695 23.496 8.821 1.00 0.00 C ATOM 1240 CG PRO B1594 -11.330 23.976 7.448 1.00 0.00 C ATOM 1241 CD PRO B1594 -11.581 22.828 6.516 1.00 0.00 C ATOM 0 HA PRO B1594 -10.899 21.538 9.453 1.00 0.00 H new ATOM 0 HB2 PRO B1594 -12.692 23.837 9.100 1.00 0.00 H new ATOM 0 HB3 PRO B1594 -11.004 23.888 9.567 1.00 0.00 H new ATOM 0 HG2 PRO B1594 -11.930 24.842 7.167 1.00 0.00 H new ATOM 0 HG3 PRO B1594 -10.286 24.286 7.410 1.00 0.00 H new ATOM 0 HD2 PRO B1594 -12.603 22.829 6.136 1.00 0.00 H new ATOM 0 HD3 PRO B1594 -10.919 22.855 5.650 1.00 0.00 H new ATOM 1249 N ALA B1595 -13.112 20.061 8.932 1.00 0.00 N ATOM 1250 CA ALA B1595 -14.346 19.345 9.204 1.00 0.00 C ATOM 1251 C ALA B1595 -14.577 19.188 10.699 1.00 0.00 C ATOM 1252 O ALA B1595 -13.843 18.458 11.371 1.00 0.00 O ATOM 1253 CB ALA B1595 -14.315 17.976 8.552 1.00 0.00 C ATOM 0 H ALA B1595 -12.372 19.479 8.539 1.00 0.00 H new ATOM 0 HA ALA B1595 -15.165 19.930 8.787 1.00 0.00 H new ATOM 0 HB1 ALA B1595 -15.246 17.451 8.764 1.00 0.00 H new ATOM 0 HB2 ALA B1595 -14.200 18.089 7.474 1.00 0.00 H new ATOM 0 HB3 ALA B1595 -13.477 17.403 8.948 1.00 0.00 H new ATOM 1259 N GLN B1596 -15.582 19.869 11.223 1.00 0.00 N ATOM 1260 CA GLN B1596 -15.926 19.727 12.619 1.00 0.00 C ATOM 1261 C GLN B1596 -17.428 19.866 12.798 1.00 0.00 C ATOM 1262 O GLN B1596 -18.116 18.825 12.831 1.00 0.00 O ATOM 1263 CB GLN B1596 -15.189 20.760 13.465 1.00 0.00 C ATOM 1264 CG GLN B1596 -14.989 20.308 14.896 1.00 0.00 C ATOM 1265 CD GLN B1596 -14.372 21.378 15.771 1.00 0.00 C ATOM 1266 OE1 GLN B1596 -13.616 22.228 15.299 1.00 0.00 O ATOM 1267 NE2 GLN B1596 -14.690 21.350 17.053 1.00 0.00 N ATOM 1268 OXT GLN B1596 -17.917 21.012 12.864 1.00 0.00 O ATOM 0 H GLN B1596 -16.169 20.521 10.702 1.00 0.00 H new ATOM 0 HA GLN B1596 -15.620 18.736 12.955 1.00 0.00 H new ATOM 0 HB2 GLN B1596 -14.218 20.967 13.015 1.00 0.00 H new ATOM 0 HB3 GLN B1596 -15.749 21.695 13.459 1.00 0.00 H new ATOM 0 HG2 GLN B1596 -15.950 20.012 15.316 1.00 0.00 H new ATOM 0 HG3 GLN B1596 -14.351 19.424 14.907 1.00 0.00 H new ATOM 0 HE21 GLN B1596 -15.320 20.630 17.407 1.00 0.00 H new ATOM 0 HE22 GLN B1596 -14.306 22.049 17.689 1.00 0.00 H new TER 1277 GLN B1596