USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 473 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A1073 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1074 THR OG1 : rot 156:sc= 1.57 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot 180:sc= 0 USER MOD Single : A1079 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A1082 ASN : amide:sc= 1.02 K(o=1,f=-0.012) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.488 USER MOD Single : A1097 THR OG1 : rot -139:sc= -0.868 USER MOD Single : A1102 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A1108 HIS : no HE2:sc= -1.72 K(o=-1.7,f=-3.3!) USER MOD Single : A1112 GLN : amide:sc=-0.00987 K(o=-0.0099,f=-0.97) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot 180:sc= 0.0734 USER MOD Single : A1125 HIS : no HD1:sc= -0.476 K(o=-0.48,f=-3.3!) USER MOD Single : A1128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -1.623 -0.238 -0.195 1.00 0.00 N ATOM 2 CA VAL A1069 -1.251 -0.145 -1.623 1.00 0.00 C ATOM 3 C VAL A1069 -1.682 1.202 -2.203 1.00 0.00 C ATOM 4 O VAL A1069 -2.872 1.485 -2.363 1.00 0.00 O ATOM 5 CB VAL A1069 -1.850 -1.316 -2.451 1.00 0.00 C ATOM 6 CG1 VAL A1069 -3.356 -1.435 -2.247 1.00 0.00 C ATOM 7 CG2 VAL A1069 -1.520 -1.159 -3.929 1.00 0.00 C ATOM 0 HA VAL A1069 -0.166 -0.222 -1.686 1.00 0.00 H new ATOM 0 HB VAL A1069 -1.393 -2.238 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -3.739 -2.264 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -3.567 -1.616 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -3.840 -0.510 -2.560 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -1.950 -1.990 -4.488 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -1.936 -0.221 -4.297 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -0.438 -1.153 -4.062 1.00 0.00 H new ATOM 19 N ARG A1070 -0.707 2.048 -2.487 1.00 0.00 N ATOM 20 CA ARG A1070 -0.984 3.358 -3.044 1.00 0.00 C ATOM 21 C ARG A1070 -0.092 3.625 -4.249 1.00 0.00 C ATOM 22 O ARG A1070 1.129 3.717 -4.126 1.00 0.00 O ATOM 23 CB ARG A1070 -0.775 4.443 -1.986 1.00 0.00 C ATOM 24 CG ARG A1070 -1.230 5.824 -2.434 1.00 0.00 C ATOM 25 CD ARG A1070 -0.871 6.889 -1.411 1.00 0.00 C ATOM 26 NE ARG A1070 -1.466 6.635 -0.102 1.00 0.00 N ATOM 27 CZ ARG A1070 -0.805 6.759 1.047 1.00 0.00 C ATOM 28 NH1 ARG A1070 0.481 7.092 1.038 1.00 0.00 N ATOM 29 NH2 ARG A1070 -1.424 6.555 2.200 1.00 0.00 N ATOM 0 H ARG A1070 0.283 1.850 -2.341 1.00 0.00 H new ATOM 0 HA ARG A1070 -2.025 3.379 -3.368 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.317 4.166 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.282 4.485 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -0.768 6.067 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.308 5.819 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A1070 0.213 6.939 -1.309 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -1.202 7.862 -1.774 1.00 0.00 H new ATOM 0 HE ARG A1070 -2.444 6.346 -0.066 1.00 0.00 H new ATOM 0 HH11 ARG A1070 0.960 7.252 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A1070 0.989 7.188 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -2.412 6.302 2.211 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -0.913 6.651 3.077 1.00 0.00 H new ATOM 43 N ARG A1071 -0.712 3.747 -5.409 1.00 0.00 N ATOM 44 CA ARG A1071 0.001 4.032 -6.638 1.00 0.00 C ATOM 45 C ARG A1071 -0.610 5.247 -7.303 1.00 0.00 C ATOM 46 O ARG A1071 -1.813 5.492 -7.183 1.00 0.00 O ATOM 47 CB ARG A1071 -0.053 2.840 -7.595 1.00 0.00 C ATOM 48 CG ARG A1071 0.697 1.613 -7.096 1.00 0.00 C ATOM 49 CD ARG A1071 0.703 0.494 -8.130 1.00 0.00 C ATOM 50 NE ARG A1071 -0.635 -0.052 -8.367 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.932 -0.920 -9.334 1.00 0.00 C ATOM 52 NH1 ARG A1071 0.020 -1.392 -10.135 1.00 0.00 N ATOM 53 NH2 ARG A1071 -2.188 -1.328 -9.483 1.00 0.00 N ATOM 0 H ARG A1071 -1.721 3.651 -5.524 1.00 0.00 H new ATOM 0 HA ARG A1071 1.046 4.227 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.095 2.571 -7.767 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.361 3.140 -8.557 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.723 1.888 -6.853 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.236 1.255 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.110 0.871 -9.068 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.364 -0.305 -7.794 1.00 0.00 H new ATOM 0 HE ARG A1071 -1.389 0.252 -7.752 1.00 0.00 H new ATOM 0 HH11 ARG A1071 0.986 -1.090 -10.012 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -0.217 -2.056 -10.872 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.916 -0.977 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -2.424 -1.992 -10.220 1.00 0.00 H new ATOM 67 N VAL A1072 0.218 6.013 -7.981 1.00 0.00 N ATOM 68 CA VAL A1072 -0.235 7.188 -8.699 1.00 0.00 C ATOM 69 C VAL A1072 0.290 7.145 -10.128 1.00 0.00 C ATOM 70 O VAL A1072 1.304 6.508 -10.399 1.00 0.00 O ATOM 71 CB VAL A1072 0.237 8.491 -8.015 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.259 8.559 -6.581 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.752 8.614 -8.059 1.00 0.00 C ATOM 0 H VAL A1072 1.221 5.841 -8.051 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.325 7.183 -8.699 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.189 9.329 -8.567 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.086 9.485 -6.120 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.349 8.533 -6.571 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.129 7.708 -6.021 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.056 9.540 -7.571 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.201 7.766 -7.541 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.086 8.624 -9.096 1.00 0.00 H new ATOM 83 N LYS A1073 -0.407 7.790 -11.040 1.00 0.00 N ATOM 84 CA LYS A1073 0.052 7.893 -12.409 1.00 0.00 C ATOM 85 C LYS A1073 0.132 9.347 -12.813 1.00 0.00 C ATOM 86 O LYS A1073 -0.880 10.031 -12.919 1.00 0.00 O ATOM 87 CB LYS A1073 -0.870 7.153 -13.364 1.00 0.00 C ATOM 88 CG LYS A1073 -0.517 7.395 -14.820 1.00 0.00 C ATOM 89 CD LYS A1073 -1.526 6.760 -15.742 1.00 0.00 C ATOM 90 CE LYS A1073 -1.440 5.244 -15.692 1.00 0.00 C ATOM 91 NZ LYS A1073 -2.364 4.603 -16.660 1.00 0.00 N ATOM 0 H LYS A1073 -1.297 8.253 -10.857 1.00 0.00 H new ATOM 0 HA LYS A1073 1.039 7.435 -12.466 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -0.822 6.084 -13.155 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.899 7.466 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -0.471 8.467 -15.012 1.00 0.00 H new ATOM 0 HG3 LYS A1073 0.474 6.991 -15.028 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -2.530 7.079 -15.462 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -1.356 7.103 -16.763 1.00 0.00 H new ATOM 0 HE2 LYS A1073 -0.418 4.932 -15.905 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -1.675 4.901 -14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -2.274 3.569 -16.593 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -3.342 4.880 -16.442 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -2.124 4.910 -17.624 1.00 0.00 H new ATOM 105 N THR A1074 1.339 9.798 -13.040 1.00 0.00 N ATOM 106 CA THR A1074 1.607 11.185 -13.359 1.00 0.00 C ATOM 107 C THR A1074 0.815 11.657 -14.578 1.00 0.00 C ATOM 108 O THR A1074 0.813 11.011 -15.629 1.00 0.00 O ATOM 109 CB THR A1074 3.105 11.367 -13.608 1.00 0.00 C ATOM 110 OG1 THR A1074 3.512 10.541 -14.701 1.00 0.00 O ATOM 111 CG2 THR A1074 3.886 10.977 -12.365 1.00 0.00 C ATOM 0 H THR A1074 2.173 9.212 -13.009 1.00 0.00 H new ATOM 0 HA THR A1074 1.290 11.792 -12.511 1.00 0.00 H new ATOM 0 HB THR A1074 3.303 12.412 -13.845 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.318 10.917 -15.112 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.952 11.109 -12.549 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.581 11.608 -11.531 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.686 9.933 -12.122 1.00 0.00 H new ATOM 119 N ILE A1075 0.128 12.774 -14.421 1.00 0.00 N ATOM 120 CA ILE A1075 -0.654 13.353 -15.502 1.00 0.00 C ATOM 121 C ILE A1075 -0.046 14.675 -15.952 1.00 0.00 C ATOM 122 O ILE A1075 -0.528 15.309 -16.888 1.00 0.00 O ATOM 123 CB ILE A1075 -2.123 13.573 -15.083 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.186 14.241 -13.705 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.879 12.251 -15.082 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.591 14.432 -13.180 1.00 0.00 C ATOM 0 H ILE A1075 0.095 13.303 -13.549 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.637 12.646 -16.332 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.600 14.235 -15.806 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.622 13.638 -12.994 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.694 15.212 -13.760 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.913 12.424 -14.784 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -2.857 11.818 -16.082 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.409 11.564 -14.379 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.552 14.910 -12.201 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.154 15.061 -13.869 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.081 13.462 -13.091 1.00 0.00 H new ATOM 138 N TYR A1076 1.019 15.080 -15.271 1.00 0.00 N ATOM 139 CA TYR A1076 1.753 16.284 -15.630 1.00 0.00 C ATOM 140 C TYR A1076 3.249 16.015 -15.570 1.00 0.00 C ATOM 141 O TYR A1076 3.726 15.331 -14.663 1.00 0.00 O ATOM 142 CB TYR A1076 1.399 17.441 -14.691 1.00 0.00 C ATOM 143 CG TYR A1076 -0.017 17.943 -14.839 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.376 18.755 -15.906 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.997 17.603 -13.915 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.670 19.217 -16.047 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.294 18.060 -14.050 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.626 18.866 -15.118 1.00 0.00 C ATOM 149 OH TYR A1076 -3.917 19.322 -15.261 1.00 0.00 O ATOM 0 H TYR A1076 1.395 14.587 -14.461 1.00 0.00 H new ATOM 0 HA TYR A1076 1.473 16.565 -16.645 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.553 17.119 -13.661 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.087 18.267 -14.874 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.369 19.030 -16.638 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.741 16.971 -13.077 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.932 19.851 -16.882 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -3.044 17.787 -13.322 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.467 18.984 -14.524 1.00 0.00 H new ATOM 159 N ASP A1077 3.971 16.531 -16.556 1.00 0.00 N ATOM 160 CA ASP A1077 5.425 16.408 -16.609 1.00 0.00 C ATOM 161 C ASP A1077 6.070 17.142 -15.443 1.00 0.00 C ATOM 162 O ASP A1077 5.733 18.294 -15.157 1.00 0.00 O ATOM 163 CB ASP A1077 5.943 16.959 -17.946 1.00 0.00 C ATOM 164 CG ASP A1077 7.410 17.356 -17.922 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.277 16.472 -18.044 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.694 18.572 -17.815 1.00 0.00 O ATOM 0 H ASP A1077 3.569 17.045 -17.340 1.00 0.00 H new ATOM 0 HA ASP A1077 5.692 15.354 -16.532 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.793 16.207 -18.720 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.346 17.827 -18.225 1.00 0.00 H new ATOM 171 N CYS A1078 6.981 16.468 -14.762 1.00 0.00 N ATOM 172 CA CYS A1078 7.701 17.067 -13.656 1.00 0.00 C ATOM 173 C CYS A1078 9.151 16.615 -13.679 1.00 0.00 C ATOM 174 O CYS A1078 9.502 15.541 -13.180 1.00 0.00 O ATOM 175 CB CYS A1078 7.049 16.720 -12.322 1.00 0.00 C ATOM 176 SG CYS A1078 7.828 17.495 -10.886 1.00 0.00 S ATOM 0 H CYS A1078 7.239 15.501 -14.959 1.00 0.00 H new ATOM 0 HA CYS A1078 7.666 18.151 -13.768 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.001 17.017 -12.356 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.070 15.638 -12.192 1.00 0.00 H new ATOM 0 HG CYS A1078 7.199 17.138 -9.806 1.00 0.00 H new ATOM 182 N GLN A1079 9.984 17.433 -14.288 1.00 0.00 N ATOM 183 CA GLN A1079 11.398 17.157 -14.383 1.00 0.00 C ATOM 184 C GLN A1079 12.132 17.827 -13.237 1.00 0.00 C ATOM 185 O GLN A1079 12.354 19.036 -13.242 1.00 0.00 O ATOM 186 CB GLN A1079 11.936 17.610 -15.738 1.00 0.00 C ATOM 187 CG GLN A1079 11.634 16.625 -16.855 1.00 0.00 C ATOM 188 CD GLN A1079 11.861 17.209 -18.230 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.977 17.191 -18.747 1.00 0.00 O ATOM 190 NE2 GLN A1079 10.795 17.686 -18.853 1.00 0.00 N ATOM 0 H GLN A1079 9.698 18.307 -14.730 1.00 0.00 H new ATOM 0 HA GLN A1079 11.563 16.082 -14.306 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.504 18.579 -15.989 1.00 0.00 H new ATOM 0 HB3 GLN A1079 13.015 17.750 -15.666 1.00 0.00 H new ATOM 0 HG2 GLN A1079 12.261 15.741 -16.733 1.00 0.00 H new ATOM 0 HG3 GLN A1079 10.598 16.295 -16.772 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.888 17.682 -18.387 1.00 0.00 H new ATOM 0 HE22 GLN A1079 10.881 18.058 -19.799 1.00 0.00 H new ATOM 199 N ALA A1080 12.459 17.014 -12.249 1.00 0.00 N ATOM 200 CA ALA A1080 13.117 17.453 -11.021 1.00 0.00 C ATOM 201 C ALA A1080 14.298 18.381 -11.273 1.00 0.00 C ATOM 202 O ALA A1080 15.217 18.054 -12.031 1.00 0.00 O ATOM 203 CB ALA A1080 13.591 16.240 -10.247 1.00 0.00 C ATOM 0 H ALA A1080 12.274 16.011 -12.273 1.00 0.00 H new ATOM 0 HA ALA A1080 12.382 18.020 -10.450 1.00 0.00 H new ATOM 0 HB1 ALA A1080 14.083 16.563 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.737 15.610 -9.998 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.295 15.672 -10.855 1.00 0.00 H new ATOM 209 N ASP A1081 14.265 19.535 -10.621 1.00 0.00 N ATOM 210 CA ASP A1081 15.386 20.459 -10.646 1.00 0.00 C ATOM 211 C ASP A1081 16.382 20.075 -9.562 1.00 0.00 C ATOM 212 O ASP A1081 17.596 20.142 -9.759 1.00 0.00 O ATOM 213 CB ASP A1081 14.902 21.896 -10.433 1.00 0.00 C ATOM 214 CG ASP A1081 16.041 22.896 -10.382 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.587 23.236 -11.450 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.388 23.355 -9.273 1.00 0.00 O ATOM 0 H ASP A1081 13.470 19.853 -10.067 1.00 0.00 H new ATOM 0 HA ASP A1081 15.871 20.403 -11.620 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.220 22.169 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.335 21.950 -9.504 1.00 0.00 H new ATOM 221 N ASN A1082 15.852 19.644 -8.426 1.00 0.00 N ATOM 222 CA ASN A1082 16.668 19.213 -7.301 1.00 0.00 C ATOM 223 C ASN A1082 16.868 17.705 -7.357 1.00 0.00 C ATOM 224 O ASN A1082 16.101 16.989 -8.002 1.00 0.00 O ATOM 225 CB ASN A1082 15.999 19.605 -5.981 1.00 0.00 C ATOM 226 CG ASN A1082 15.847 21.107 -5.827 1.00 0.00 C ATOM 227 OD1 ASN A1082 16.710 21.779 -5.261 1.00 0.00 O ATOM 228 ND2 ASN A1082 14.746 21.647 -6.328 1.00 0.00 N ATOM 0 H ASN A1082 14.848 19.584 -8.259 1.00 0.00 H new ATOM 0 HA ASN A1082 17.639 19.704 -7.360 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.017 19.136 -5.923 1.00 0.00 H new ATOM 0 HB3 ASN A1082 16.588 19.216 -5.150 1.00 0.00 H new ATOM 0 HD21 ASN A1082 14.591 22.652 -6.252 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.054 21.058 -6.790 1.00 0.00 H new ATOM 235 N ASP A1083 17.908 17.231 -6.682 1.00 0.00 N ATOM 236 CA ASP A1083 18.289 15.819 -6.725 1.00 0.00 C ATOM 237 C ASP A1083 17.360 14.964 -5.867 1.00 0.00 C ATOM 238 O ASP A1083 17.259 13.754 -6.062 1.00 0.00 O ATOM 239 CB ASP A1083 19.739 15.652 -6.253 1.00 0.00 C ATOM 240 CG ASP A1083 20.252 14.231 -6.399 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.622 13.840 -7.525 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.321 13.506 -5.380 1.00 0.00 O ATOM 0 H ASP A1083 18.509 17.807 -6.093 1.00 0.00 H new ATOM 0 HA ASP A1083 18.201 15.479 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A1083 20.380 16.324 -6.823 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.812 15.953 -5.208 1.00 0.00 H new ATOM 247 N ASP A1084 16.680 15.599 -4.919 1.00 0.00 N ATOM 248 CA ASP A1084 15.788 14.882 -4.009 1.00 0.00 C ATOM 249 C ASP A1084 14.385 14.783 -4.599 1.00 0.00 C ATOM 250 O ASP A1084 13.544 14.025 -4.111 1.00 0.00 O ATOM 251 CB ASP A1084 15.735 15.571 -2.642 1.00 0.00 C ATOM 252 CG ASP A1084 14.931 16.854 -2.660 1.00 0.00 C ATOM 253 OD1 ASP A1084 15.273 17.766 -3.439 1.00 0.00 O ATOM 254 OD2 ASP A1084 13.959 16.959 -1.882 1.00 0.00 O ATOM 0 H ASP A1084 16.727 16.605 -4.759 1.00 0.00 H new ATOM 0 HA ASP A1084 16.184 13.875 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.302 14.887 -1.912 1.00 0.00 H new ATOM 0 HB3 ASP A1084 16.750 15.789 -2.311 1.00 0.00 H new ATOM 259 N GLU A1085 14.145 15.547 -5.653 1.00 0.00 N ATOM 260 CA GLU A1085 12.880 15.496 -6.363 1.00 0.00 C ATOM 261 C GLU A1085 12.938 14.386 -7.404 1.00 0.00 C ATOM 262 O GLU A1085 14.023 13.973 -7.821 1.00 0.00 O ATOM 263 CB GLU A1085 12.590 16.837 -7.043 1.00 0.00 C ATOM 264 CG GLU A1085 12.572 18.023 -6.094 1.00 0.00 C ATOM 265 CD GLU A1085 12.348 19.339 -6.813 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.220 19.738 -7.615 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.304 19.984 -6.574 1.00 0.00 O ATOM 0 H GLU A1085 14.815 16.213 -6.036 1.00 0.00 H new ATOM 0 HA GLU A1085 12.079 15.293 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.342 17.012 -7.812 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.626 16.775 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.786 17.879 -5.353 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.517 18.065 -5.552 1.00 0.00 H new ATOM 274 N LEU A1086 11.785 13.893 -7.816 1.00 0.00 N ATOM 275 CA LEU A1086 11.743 12.841 -8.819 1.00 0.00 C ATOM 276 C LEU A1086 11.511 13.418 -10.212 1.00 0.00 C ATOM 277 O LEU A1086 10.781 14.393 -10.383 1.00 0.00 O ATOM 278 CB LEU A1086 10.657 11.812 -8.495 1.00 0.00 C ATOM 279 CG LEU A1086 10.518 10.688 -9.526 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.815 9.906 -9.651 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.379 9.763 -9.158 1.00 0.00 C ATOM 0 H LEU A1086 10.873 14.199 -7.477 1.00 0.00 H new ATOM 0 HA LEU A1086 12.712 12.341 -8.805 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.872 11.370 -7.522 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.701 12.327 -8.407 1.00 0.00 H new ATOM 0 HG LEU A1086 10.297 11.142 -10.492 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.692 9.113 -10.389 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.615 10.576 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.070 9.467 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.298 8.972 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.570 9.322 -8.180 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.447 10.328 -9.125 1.00 0.00 H new ATOM 293 N THR A1087 12.148 12.807 -11.199 1.00 0.00 N ATOM 294 CA THR A1087 11.967 13.193 -12.586 1.00 0.00 C ATOM 295 C THR A1087 11.076 12.179 -13.292 1.00 0.00 C ATOM 296 O THR A1087 11.356 10.979 -13.288 1.00 0.00 O ATOM 297 CB THR A1087 13.310 13.283 -13.331 1.00 0.00 C ATOM 298 OG1 THR A1087 14.211 14.147 -12.623 1.00 0.00 O ATOM 299 CG2 THR A1087 13.121 13.802 -14.750 1.00 0.00 C ATOM 0 H THR A1087 12.800 12.035 -11.061 1.00 0.00 H new ATOM 0 HA THR A1087 11.501 14.178 -12.595 1.00 0.00 H new ATOM 0 HB THR A1087 13.730 12.278 -13.383 1.00 0.00 H new ATOM 0 HG1 THR A1087 15.063 14.196 -13.104 1.00 0.00 H new ATOM 0 HG21 THR A1087 14.088 13.854 -15.250 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.464 13.128 -15.300 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.675 14.796 -14.717 1.00 0.00 H new ATOM 307 N PHE A1088 10.006 12.672 -13.881 1.00 0.00 N ATOM 308 CA PHE A1088 9.048 11.828 -14.577 1.00 0.00 C ATOM 309 C PHE A1088 8.266 12.651 -15.594 1.00 0.00 C ATOM 310 O PHE A1088 8.260 13.882 -15.537 1.00 0.00 O ATOM 311 CB PHE A1088 8.080 11.178 -13.578 1.00 0.00 C ATOM 312 CG PHE A1088 7.338 12.169 -12.722 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.284 12.905 -13.240 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.704 12.372 -11.402 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.614 13.824 -12.460 1.00 0.00 C ATOM 316 CE2 PHE A1088 7.032 13.284 -10.616 1.00 0.00 C ATOM 317 CZ PHE A1088 5.988 14.014 -11.148 1.00 0.00 C ATOM 0 H PHE A1088 9.774 13.665 -13.893 1.00 0.00 H new ATOM 0 HA PHE A1088 9.595 11.042 -15.098 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.358 10.573 -14.126 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.639 10.500 -12.932 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.984 12.757 -14.267 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.525 11.809 -10.983 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.797 14.394 -12.877 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.322 13.427 -9.586 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.465 14.734 -10.536 1.00 0.00 H new ATOM 327 N ILE A1089 7.605 11.965 -16.512 1.00 0.00 N ATOM 328 CA ILE A1089 6.726 12.615 -17.473 1.00 0.00 C ATOM 329 C ILE A1089 5.331 12.025 -17.350 1.00 0.00 C ATOM 330 O ILE A1089 5.136 11.058 -16.612 1.00 0.00 O ATOM 331 CB ILE A1089 7.222 12.479 -18.936 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.047 11.045 -19.476 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.676 12.912 -19.038 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.925 10.004 -18.814 1.00 0.00 C ATOM 0 H ILE A1089 7.661 10.952 -16.613 1.00 0.00 H new ATOM 0 HA ILE A1089 6.719 13.680 -17.240 1.00 0.00 H new ATOM 0 HB ILE A1089 6.608 13.134 -19.554 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.005 10.751 -19.354 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.255 11.047 -20.546 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.014 12.812 -20.070 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.769 13.952 -18.725 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.289 12.283 -18.393 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.731 9.028 -19.260 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.973 10.267 -18.958 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.704 9.966 -17.747 1.00 0.00 H new ATOM 346 N GLU A1090 4.371 12.600 -18.057 1.00 0.00 N ATOM 347 CA GLU A1090 2.993 12.137 -17.998 1.00 0.00 C ATOM 348 C GLU A1090 2.890 10.679 -18.431 1.00 0.00 C ATOM 349 O GLU A1090 3.204 10.335 -19.572 1.00 0.00 O ATOM 350 CB GLU A1090 2.084 12.990 -18.886 1.00 0.00 C ATOM 351 CG GLU A1090 2.266 14.488 -18.709 1.00 0.00 C ATOM 352 CD GLU A1090 3.269 15.080 -19.680 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.427 14.617 -19.710 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.900 16.020 -20.413 1.00 0.00 O ATOM 0 H GLU A1090 4.522 13.392 -18.682 1.00 0.00 H new ATOM 0 HA GLU A1090 2.666 12.230 -16.962 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.270 12.734 -19.929 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.046 12.734 -18.675 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.304 14.984 -18.841 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.592 14.691 -17.689 1.00 0.00 H new ATOM 361 N GLY A1091 2.446 9.837 -17.514 1.00 0.00 N ATOM 362 CA GLY A1091 2.250 8.436 -17.822 1.00 0.00 C ATOM 363 C GLY A1091 3.097 7.526 -16.958 1.00 0.00 C ATOM 364 O GLY A1091 2.971 6.302 -17.026 1.00 0.00 O ATOM 0 H GLY A1091 2.216 10.100 -16.556 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.198 8.182 -17.689 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.490 8.261 -18.871 1.00 0.00 H new ATOM 368 N GLU A1092 3.953 8.117 -16.137 1.00 0.00 N ATOM 369 CA GLU A1092 4.783 7.347 -15.228 1.00 0.00 C ATOM 370 C GLU A1092 3.982 6.903 -14.016 1.00 0.00 C ATOM 371 O GLU A1092 3.330 7.715 -13.353 1.00 0.00 O ATOM 372 CB GLU A1092 5.993 8.164 -14.781 1.00 0.00 C ATOM 373 CG GLU A1092 7.024 8.357 -15.874 1.00 0.00 C ATOM 374 CD GLU A1092 7.708 7.064 -16.259 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.040 6.168 -16.815 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.922 6.935 -16.007 1.00 0.00 O ATOM 0 H GLU A1092 4.089 9.126 -16.083 1.00 0.00 H new ATOM 0 HA GLU A1092 5.134 6.462 -15.760 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.655 9.140 -14.434 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.463 7.669 -13.931 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.542 8.785 -16.753 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.773 9.075 -15.540 1.00 0.00 H new ATOM 383 N VAL A1093 4.014 5.612 -13.738 1.00 0.00 N ATOM 384 CA VAL A1093 3.367 5.091 -12.556 1.00 0.00 C ATOM 385 C VAL A1093 4.339 5.131 -11.390 1.00 0.00 C ATOM 386 O VAL A1093 5.432 4.567 -11.448 1.00 0.00 O ATOM 387 CB VAL A1093 2.861 3.653 -12.759 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.154 3.141 -11.511 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.945 3.569 -13.974 1.00 0.00 C ATOM 0 H VAL A1093 4.480 4.911 -14.314 1.00 0.00 H new ATOM 0 HA VAL A1093 2.500 5.717 -12.348 1.00 0.00 H new ATOM 0 HB VAL A1093 3.726 3.014 -12.940 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.806 2.122 -11.682 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.847 3.152 -10.670 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.302 3.782 -11.287 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.599 2.543 -14.099 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.087 4.226 -13.829 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.493 3.878 -14.864 1.00 0.00 H new ATOM 399 N ILE A1094 3.939 5.820 -10.351 1.00 0.00 N ATOM 400 CA ILE A1094 4.758 5.971 -9.167 1.00 0.00 C ATOM 401 C ILE A1094 4.106 5.262 -7.998 1.00 0.00 C ATOM 402 O ILE A1094 2.918 5.451 -7.730 1.00 0.00 O ATOM 403 CB ILE A1094 4.965 7.456 -8.791 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.619 8.222 -9.942 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.810 7.579 -7.530 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.863 9.683 -9.627 1.00 0.00 C ATOM 0 H ILE A1094 3.037 6.293 -10.299 1.00 0.00 H new ATOM 0 HA ILE A1094 5.731 5.533 -9.389 1.00 0.00 H new ATOM 0 HB ILE A1094 3.986 7.894 -8.597 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.568 7.748 -10.192 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.984 8.149 -10.825 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.944 8.632 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.308 7.074 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.784 7.119 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.329 10.167 -10.485 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.914 10.171 -9.406 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.522 9.764 -8.763 1.00 0.00 H new ATOM 418 N ILE A1095 4.869 4.440 -7.310 1.00 0.00 N ATOM 419 CA ILE A1095 4.373 3.804 -6.110 1.00 0.00 C ATOM 420 C ILE A1095 4.721 4.663 -4.910 1.00 0.00 C ATOM 421 O ILE A1095 5.895 4.908 -4.630 1.00 0.00 O ATOM 422 CB ILE A1095 4.931 2.378 -5.924 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.458 1.484 -7.072 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.503 1.802 -4.577 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.814 0.025 -6.897 1.00 0.00 C ATOM 0 H ILE A1095 5.828 4.198 -7.559 1.00 0.00 H new ATOM 0 HA ILE A1095 3.291 3.709 -6.205 1.00 0.00 H new ATOM 0 HB ILE A1095 6.020 2.421 -5.937 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.376 1.575 -7.169 1.00 0.00 H new ATOM 0 HG13 ILE A1095 4.893 1.845 -8.004 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.907 0.796 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.881 2.435 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.415 1.763 -4.527 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.445 -0.544 -7.750 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.897 -0.080 -6.831 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.357 -0.354 -5.983 1.00 0.00 H new ATOM 437 N VAL A1096 3.689 5.144 -4.237 1.00 0.00 N ATOM 438 CA VAL A1096 3.853 6.004 -3.080 1.00 0.00 C ATOM 439 C VAL A1096 4.440 5.216 -1.916 1.00 0.00 C ATOM 440 O VAL A1096 3.825 4.271 -1.414 1.00 0.00 O ATOM 441 CB VAL A1096 2.506 6.629 -2.665 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.686 7.545 -1.464 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.891 7.387 -3.830 1.00 0.00 C ATOM 0 H VAL A1096 2.717 4.949 -4.477 1.00 0.00 H new ATOM 0 HA VAL A1096 4.539 6.808 -3.349 1.00 0.00 H new ATOM 0 HB VAL A1096 1.827 5.825 -2.381 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.724 7.976 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.082 6.972 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.382 8.345 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.941 7.822 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.568 8.181 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.723 6.702 -4.661 1.00 0.00 H new ATOM 453 N THR A1097 5.635 5.603 -1.502 1.00 0.00 N ATOM 454 CA THR A1097 6.354 4.883 -0.471 1.00 0.00 C ATOM 455 C THR A1097 6.424 5.699 0.825 1.00 0.00 C ATOM 456 O THR A1097 6.862 5.195 1.861 1.00 0.00 O ATOM 457 CB THR A1097 7.777 4.525 -0.955 1.00 0.00 C ATOM 458 OG1 THR A1097 8.494 5.720 -1.287 1.00 0.00 O ATOM 459 CG2 THR A1097 7.729 3.614 -2.184 1.00 0.00 C ATOM 0 H THR A1097 6.128 6.417 -1.868 1.00 0.00 H new ATOM 0 HA THR A1097 5.811 3.961 -0.263 1.00 0.00 H new ATOM 0 HB THR A1097 8.283 3.998 -0.147 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.012 5.574 -2.106 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.745 3.379 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.204 2.692 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.204 4.122 -2.993 1.00 0.00 H new ATOM 467 N GLY A1098 5.992 6.960 0.758 1.00 0.00 N ATOM 468 CA GLY A1098 5.964 7.814 1.935 1.00 0.00 C ATOM 469 C GLY A1098 5.290 9.147 1.658 1.00 0.00 C ATOM 470 O GLY A1098 4.939 9.443 0.516 1.00 0.00 O ATOM 0 H GLY A1098 5.659 7.406 -0.097 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.438 7.303 2.741 1.00 0.00 H new ATOM 0 HA3 GLY A1098 6.983 7.988 2.280 1.00 0.00 H new ATOM 474 N GLU A1099 5.109 9.954 2.697 1.00 0.00 N ATOM 475 CA GLU A1099 4.479 11.266 2.562 1.00 0.00 C ATOM 476 C GLU A1099 5.287 12.319 3.310 1.00 0.00 C ATOM 477 O GLU A1099 5.744 12.085 4.428 1.00 0.00 O ATOM 478 CB GLU A1099 3.044 11.255 3.111 1.00 0.00 C ATOM 479 CG GLU A1099 2.100 10.298 2.400 1.00 0.00 C ATOM 480 CD GLU A1099 1.889 9.003 3.161 1.00 0.00 C ATOM 481 OE1 GLU A1099 1.169 9.021 4.184 1.00 0.00 O ATOM 482 OE2 GLU A1099 2.419 7.957 2.732 1.00 0.00 O ATOM 0 H GLU A1099 5.391 9.722 3.649 1.00 0.00 H new ATOM 0 HA GLU A1099 4.448 11.507 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.076 10.994 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.636 12.263 3.044 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.137 10.788 2.252 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.497 10.072 1.411 1.00 0.00 H new ATOM 489 N GLU A1100 5.464 13.477 2.685 1.00 0.00 N ATOM 490 CA GLU A1100 6.178 14.583 3.313 1.00 0.00 C ATOM 491 C GLU A1100 5.203 15.656 3.761 1.00 0.00 C ATOM 492 O GLU A1100 5.316 16.199 4.860 1.00 0.00 O ATOM 493 CB GLU A1100 7.193 15.198 2.349 1.00 0.00 C ATOM 494 CG GLU A1100 8.386 14.309 2.085 1.00 0.00 C ATOM 495 CD GLU A1100 9.234 14.090 3.325 1.00 0.00 C ATOM 496 OE1 GLU A1100 8.965 13.128 4.077 1.00 0.00 O ATOM 497 OE2 GLU A1100 10.177 14.877 3.548 1.00 0.00 O ATOM 0 H GLU A1100 5.123 13.675 1.744 1.00 0.00 H new ATOM 0 HA GLU A1100 6.708 14.186 4.179 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.697 15.418 1.404 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.540 16.148 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A1100 8.041 13.345 1.710 1.00 0.00 H new ATOM 0 HG3 GLU A1100 9.001 14.754 1.303 1.00 0.00 H new ATOM 504 N ASP A1101 4.248 15.959 2.897 1.00 0.00 N ATOM 505 CA ASP A1101 3.269 17.001 3.173 1.00 0.00 C ATOM 506 C ASP A1101 1.957 16.685 2.453 1.00 0.00 C ATOM 507 O ASP A1101 1.765 15.559 1.996 1.00 0.00 O ATOM 508 CB ASP A1101 3.823 18.365 2.740 1.00 0.00 C ATOM 509 CG ASP A1101 3.036 19.527 3.308 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.183 19.821 4.507 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.255 20.140 2.556 1.00 0.00 O ATOM 0 H ASP A1101 4.129 15.497 1.995 1.00 0.00 H new ATOM 0 HA ASP A1101 3.069 17.039 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.863 18.447 3.058 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.816 18.425 1.652 1.00 0.00 H new ATOM 516 N GLN A1102 1.071 17.663 2.333 1.00 0.00 N ATOM 517 CA GLN A1102 -0.224 17.444 1.710 1.00 0.00 C ATOM 518 C GLN A1102 -0.089 17.411 0.193 1.00 0.00 C ATOM 519 O GLN A1102 -0.848 16.726 -0.492 1.00 0.00 O ATOM 520 CB GLN A1102 -1.216 18.538 2.127 1.00 0.00 C ATOM 521 CG GLN A1102 -0.772 19.944 1.743 1.00 0.00 C ATOM 522 CD GLN A1102 -1.767 21.014 2.149 1.00 0.00 C ATOM 523 OE1 GLN A1102 -2.973 20.776 2.202 1.00 0.00 O ATOM 524 NE2 GLN A1102 -1.265 22.201 2.447 1.00 0.00 N ATOM 0 H GLN A1102 1.227 18.617 2.660 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.605 16.480 2.048 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.183 18.334 1.668 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.360 18.494 3.207 1.00 0.00 H new ATOM 0 HG2 GLN A1102 0.190 20.155 2.210 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -0.619 19.989 0.665 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -0.259 22.358 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -1.884 22.959 2.733 1.00 0.00 H new ATOM 533 N GLU A1103 0.897 18.135 -0.326 1.00 0.00 N ATOM 534 CA GLU A1103 1.063 18.257 -1.763 1.00 0.00 C ATOM 535 C GLU A1103 2.393 17.666 -2.206 1.00 0.00 C ATOM 536 O GLU A1103 2.787 17.790 -3.362 1.00 0.00 O ATOM 537 CB GLU A1103 0.948 19.728 -2.192 1.00 0.00 C ATOM 538 CG GLU A1103 1.740 20.686 -1.313 1.00 0.00 C ATOM 539 CD GLU A1103 1.676 22.125 -1.788 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.629 22.780 -1.584 1.00 0.00 O ATOM 541 OE2 GLU A1103 2.684 22.617 -2.342 1.00 0.00 O ATOM 0 H GLU A1103 1.588 18.642 0.227 1.00 0.00 H new ATOM 0 HA GLU A1103 0.267 17.694 -2.250 1.00 0.00 H new ATOM 0 HB2 GLU A1103 1.292 19.825 -3.222 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.102 20.020 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A1103 1.361 20.630 -0.293 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.781 20.366 -1.284 1.00 0.00 H new ATOM 548 N TRP A1104 3.058 16.989 -1.280 1.00 0.00 N ATOM 549 CA TRP A1104 4.378 16.422 -1.535 1.00 0.00 C ATOM 550 C TRP A1104 4.496 15.035 -0.928 1.00 0.00 C ATOM 551 O TRP A1104 4.550 14.880 0.295 1.00 0.00 O ATOM 552 CB TRP A1104 5.474 17.330 -0.976 1.00 0.00 C ATOM 553 CG TRP A1104 5.550 18.647 -1.675 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.921 19.802 -1.316 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.284 18.937 -2.867 1.00 0.00 C ATOM 556 NE1 TRP A1104 5.217 20.796 -2.217 1.00 0.00 N ATOM 557 CE2 TRP A1104 6.057 20.289 -3.177 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.111 18.183 -3.700 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.630 20.903 -4.286 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.680 18.792 -4.801 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.438 20.141 -5.086 1.00 0.00 C ATOM 0 H TRP A1104 2.703 16.818 -0.339 1.00 0.00 H new ATOM 0 HA TRP A1104 4.505 16.343 -2.615 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.293 17.498 0.086 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.436 16.824 -1.060 1.00 0.00 H new ATOM 0 HD1 TRP A1104 4.284 19.918 -0.451 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.869 21.754 -2.179 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.303 17.142 -3.488 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.444 21.943 -4.508 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.322 18.218 -5.453 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.898 20.589 -5.954 1.00 0.00 H new ATOM 572 N TRP A1105 4.516 14.029 -1.784 1.00 0.00 N ATOM 573 CA TRP A1105 4.672 12.654 -1.339 1.00 0.00 C ATOM 574 C TRP A1105 6.004 12.099 -1.817 1.00 0.00 C ATOM 575 O TRP A1105 6.657 12.684 -2.680 1.00 0.00 O ATOM 576 CB TRP A1105 3.519 11.782 -1.850 1.00 0.00 C ATOM 577 CG TRP A1105 2.190 12.112 -1.233 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.940 13.033 -0.256 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.930 11.513 -1.547 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.606 13.045 0.054 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.037 12.118 -0.723 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.526 10.520 -2.444 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.385 11.766 -0.775 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.812 10.173 -2.495 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.751 10.792 -1.662 1.00 0.00 C ATOM 0 H TRP A1105 4.426 14.138 -2.794 1.00 0.00 H new ATOM 0 HA TRP A1105 4.653 12.640 -0.249 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.444 11.892 -2.932 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.751 10.736 -1.652 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.687 13.662 0.206 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.164 13.646 0.750 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.245 10.033 -3.085 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.114 12.245 -0.138 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.137 9.412 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.787 10.494 -1.721 1.00 0.00 H new ATOM 596 N ILE A1106 6.401 10.979 -1.240 1.00 0.00 N ATOM 597 CA ILE A1106 7.630 10.305 -1.612 1.00 0.00 C ATOM 598 C ILE A1106 7.294 8.958 -2.218 1.00 0.00 C ATOM 599 O ILE A1106 6.421 8.245 -1.722 1.00 0.00 O ATOM 600 CB ILE A1106 8.569 10.090 -0.403 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.990 11.428 0.191 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.798 9.287 -0.807 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.823 11.291 1.446 1.00 0.00 C ATOM 0 H ILE A1106 5.879 10.511 -0.499 1.00 0.00 H new ATOM 0 HA ILE A1106 8.150 10.939 -2.330 1.00 0.00 H new ATOM 0 HB ILE A1106 8.022 9.527 0.353 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.557 11.986 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.099 12.014 0.417 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.444 9.149 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.488 8.314 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.344 9.823 -1.584 1.00 0.00 H new ATOM 0 HD11 ILE A1106 10.089 12.281 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.250 10.761 2.207 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.731 10.732 1.221 1.00 0.00 H new ATOM 615 N GLY A1107 7.958 8.622 -3.294 1.00 0.00 N ATOM 616 CA GLY A1107 7.710 7.363 -3.931 1.00 0.00 C ATOM 617 C GLY A1107 8.807 6.996 -4.881 1.00 0.00 C ATOM 618 O GLY A1107 9.850 7.648 -4.918 1.00 0.00 O ATOM 0 H GLY A1107 8.669 9.201 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.610 6.586 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.763 7.408 -4.469 1.00 0.00 H new ATOM 622 N HIS A1108 8.563 5.968 -5.659 1.00 0.00 N ATOM 623 CA HIS A1108 9.532 5.494 -6.627 1.00 0.00 C ATOM 624 C HIS A1108 8.833 5.208 -7.955 1.00 0.00 C ATOM 625 O HIS A1108 7.645 4.879 -7.980 1.00 0.00 O ATOM 626 CB HIS A1108 10.273 4.237 -6.112 1.00 0.00 C ATOM 627 CG HIS A1108 9.445 2.985 -5.962 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.449 2.210 -4.824 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.641 2.342 -6.834 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.687 1.148 -5.012 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.185 1.204 -6.227 1.00 0.00 N ATOM 0 H HIS A1108 7.692 5.437 -5.642 1.00 0.00 H new ATOM 0 HA HIS A1108 10.280 6.272 -6.779 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.096 4.023 -6.793 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.714 4.473 -5.144 1.00 0.00 H new ATOM 0 HD1 HIS A1108 9.961 2.423 -3.968 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.400 2.668 -7.835 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.506 0.365 -4.290 1.00 0.00 H new ATOM 640 N ILE A1109 9.564 5.347 -9.047 1.00 0.00 N ATOM 641 CA ILE A1109 9.049 5.000 -10.363 1.00 0.00 C ATOM 642 C ILE A1109 8.885 3.490 -10.471 1.00 0.00 C ATOM 643 O ILE A1109 9.787 2.735 -10.105 1.00 0.00 O ATOM 644 CB ILE A1109 9.990 5.506 -11.485 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.945 7.033 -11.578 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.628 4.883 -12.827 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.602 7.577 -12.019 1.00 0.00 C ATOM 0 H ILE A1109 10.521 5.699 -9.050 1.00 0.00 H new ATOM 0 HA ILE A1109 8.080 5.484 -10.487 1.00 0.00 H new ATOM 0 HB ILE A1109 11.006 5.202 -11.232 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.196 7.455 -10.605 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.710 7.368 -12.278 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.305 5.256 -13.596 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.717 3.799 -12.761 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.603 5.148 -13.086 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.646 8.665 -12.062 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.357 7.185 -13.006 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.835 7.273 -11.307 1.00 0.00 H new ATOM 659 N GLU A1110 7.722 3.063 -10.945 1.00 0.00 N ATOM 660 CA GLU A1110 7.436 1.651 -11.147 1.00 0.00 C ATOM 661 C GLU A1110 8.478 1.040 -12.081 1.00 0.00 C ATOM 662 O GLU A1110 8.764 1.590 -13.146 1.00 0.00 O ATOM 663 CB GLU A1110 6.036 1.495 -11.751 1.00 0.00 C ATOM 664 CG GLU A1110 5.255 0.299 -11.234 1.00 0.00 C ATOM 665 CD GLU A1110 5.976 -1.016 -11.446 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.912 -1.559 -12.569 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.609 -1.514 -10.492 1.00 0.00 O ATOM 0 H GLU A1110 6.954 3.684 -11.199 1.00 0.00 H new ATOM 0 HA GLU A1110 7.474 1.133 -10.189 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.464 2.401 -11.549 1.00 0.00 H new ATOM 0 HB3 GLU A1110 6.129 1.411 -12.834 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.060 0.432 -10.170 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.287 0.261 -11.734 1.00 0.00 H new ATOM 674 N GLY A1111 9.057 -0.078 -11.670 1.00 0.00 N ATOM 675 CA GLY A1111 10.051 -0.743 -12.488 1.00 0.00 C ATOM 676 C GLY A1111 11.465 -0.340 -12.128 1.00 0.00 C ATOM 677 O GLY A1111 12.372 -1.175 -12.115 1.00 0.00 O ATOM 0 H GLY A1111 8.856 -0.538 -10.782 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.945 -1.822 -12.377 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.867 -0.511 -13.537 1.00 0.00 H new ATOM 681 N GLN A1112 11.662 0.935 -11.830 1.00 0.00 N ATOM 682 CA GLN A1112 12.980 1.435 -11.470 1.00 0.00 C ATOM 683 C GLN A1112 12.960 2.076 -10.093 1.00 0.00 C ATOM 684 O GLN A1112 12.720 3.277 -9.963 1.00 0.00 O ATOM 685 CB GLN A1112 13.486 2.454 -12.494 1.00 0.00 C ATOM 686 CG GLN A1112 13.752 1.873 -13.873 1.00 0.00 C ATOM 687 CD GLN A1112 14.440 2.864 -14.794 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.207 3.721 -14.344 1.00 0.00 O ATOM 689 NE2 GLN A1112 14.166 2.764 -16.085 1.00 0.00 N ATOM 0 H GLN A1112 10.927 1.642 -11.830 1.00 0.00 H new ATOM 0 HA GLN A1112 13.656 0.580 -11.459 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.753 3.255 -12.585 1.00 0.00 H new ATOM 0 HB3 GLN A1112 14.405 2.904 -12.118 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.371 0.981 -13.776 1.00 0.00 H new ATOM 0 HG3 GLN A1112 12.809 1.559 -14.320 1.00 0.00 H new ATOM 0 HE21 GLN A1112 13.527 2.042 -16.416 1.00 0.00 H new ATOM 0 HE22 GLN A1112 14.594 3.409 -16.749 1.00 0.00 H new ATOM 698 N PRO A1113 13.229 1.287 -9.042 1.00 0.00 N ATOM 699 CA PRO A1113 13.304 1.801 -7.672 1.00 0.00 C ATOM 700 C PRO A1113 14.522 2.702 -7.470 1.00 0.00 C ATOM 701 O PRO A1113 14.741 3.234 -6.386 1.00 0.00 O ATOM 702 CB PRO A1113 13.423 0.538 -6.817 1.00 0.00 C ATOM 703 CG PRO A1113 13.997 -0.487 -7.730 1.00 0.00 C ATOM 704 CD PRO A1113 13.470 -0.166 -9.100 1.00 0.00 C ATOM 0 HA PRO A1113 12.441 2.416 -7.416 1.00 0.00 H new ATOM 0 HB2 PRO A1113 14.068 0.704 -5.954 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.451 0.227 -6.434 1.00 0.00 H new ATOM 0 HG2 PRO A1113 15.086 -0.457 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A1113 13.702 -1.491 -7.424 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.189 -0.423 -9.878 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.555 -0.717 -9.318 1.00 0.00 H new ATOM 712 N GLU A1114 15.313 2.855 -8.528 1.00 0.00 N ATOM 713 CA GLU A1114 16.453 3.760 -8.516 1.00 0.00 C ATOM 714 C GLU A1114 15.947 5.193 -8.628 1.00 0.00 C ATOM 715 O GLU A1114 16.588 6.146 -8.178 1.00 0.00 O ATOM 716 CB GLU A1114 17.396 3.447 -9.684 1.00 0.00 C ATOM 717 CG GLU A1114 17.661 1.963 -9.893 1.00 0.00 C ATOM 718 CD GLU A1114 18.167 1.265 -8.647 1.00 0.00 C ATOM 719 OE1 GLU A1114 19.320 1.525 -8.240 1.00 0.00 O ATOM 720 OE2 GLU A1114 17.419 0.443 -8.077 1.00 0.00 O ATOM 0 H GLU A1114 15.182 2.359 -9.410 1.00 0.00 H new ATOM 0 HA GLU A1114 17.005 3.634 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A1114 16.972 3.861 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.346 3.954 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A1114 16.742 1.480 -10.224 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.392 1.840 -10.692 1.00 0.00 H new ATOM 727 N ARG A1115 14.775 5.329 -9.231 1.00 0.00 N ATOM 728 CA ARG A1115 14.131 6.618 -9.379 1.00 0.00 C ATOM 729 C ARG A1115 13.127 6.845 -8.263 1.00 0.00 C ATOM 730 O ARG A1115 11.956 6.504 -8.405 1.00 0.00 O ATOM 731 CB ARG A1115 13.400 6.716 -10.719 1.00 0.00 C ATOM 732 CG ARG A1115 14.239 7.232 -11.871 1.00 0.00 C ATOM 733 CD ARG A1115 13.361 7.483 -13.086 1.00 0.00 C ATOM 734 NE ARG A1115 14.075 8.165 -14.161 1.00 0.00 N ATOM 735 CZ ARG A1115 13.481 8.700 -15.227 1.00 0.00 C ATOM 736 NH1 ARG A1115 12.160 8.630 -15.367 1.00 0.00 N ATOM 737 NH2 ARG A1115 14.209 9.299 -16.159 1.00 0.00 N ATOM 0 H ARG A1115 14.249 4.551 -9.628 1.00 0.00 H new ATOM 0 HA ARG A1115 14.911 7.378 -9.335 1.00 0.00 H new ATOM 0 HB2 ARG A1115 13.019 5.729 -10.981 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.536 7.369 -10.597 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.742 8.154 -11.580 1.00 0.00 H new ATOM 0 HG3 ARG A1115 15.016 6.509 -12.118 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.977 6.532 -13.455 1.00 0.00 H new ATOM 0 HD3 ARG A1115 12.499 8.081 -12.790 1.00 0.00 H new ATOM 0 HE ARG A1115 15.090 8.236 -14.092 1.00 0.00 H new ATOM 0 HH11 ARG A1115 11.596 8.165 -14.656 1.00 0.00 H new ATOM 0 HH12 ARG A1115 11.711 9.042 -16.185 1.00 0.00 H new ATOM 0 HH21 ARG A1115 15.223 9.350 -16.060 1.00 0.00 H new ATOM 0 HH22 ARG A1115 13.755 9.709 -16.975 1.00 0.00 H new ATOM 751 N LYS A1116 13.573 7.403 -7.153 1.00 0.00 N ATOM 752 CA LYS A1116 12.651 7.778 -6.094 1.00 0.00 C ATOM 753 C LYS A1116 12.756 9.262 -5.818 1.00 0.00 C ATOM 754 O LYS A1116 13.628 9.944 -6.361 1.00 0.00 O ATOM 755 CB LYS A1116 12.917 7.032 -4.788 1.00 0.00 C ATOM 756 CG LYS A1116 13.248 5.565 -4.941 1.00 0.00 C ATOM 757 CD LYS A1116 13.296 4.882 -3.584 1.00 0.00 C ATOM 758 CE LYS A1116 14.368 5.488 -2.686 1.00 0.00 C ATOM 759 NZ LYS A1116 14.241 5.025 -1.279 1.00 0.00 N ATOM 0 H LYS A1116 14.554 7.605 -6.961 1.00 0.00 H new ATOM 0 HA LYS A1116 11.654 7.512 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.741 7.522 -4.270 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.039 7.125 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.501 5.082 -5.571 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.209 5.454 -5.444 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.324 4.968 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.493 3.818 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.354 5.222 -3.068 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.296 6.575 -2.718 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 14.989 5.460 -0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 13.310 5.301 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.335 3.990 -1.244 1.00 0.00 H new ATOM 773 N GLY A1117 11.871 9.758 -4.976 1.00 0.00 N ATOM 774 CA GLY A1117 11.974 11.128 -4.534 1.00 0.00 C ATOM 775 C GLY A1117 10.631 11.725 -4.201 1.00 0.00 C ATOM 776 O GLY A1117 9.629 11.010 -4.124 1.00 0.00 O ATOM 0 H GLY A1117 11.083 9.238 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.618 11.177 -3.656 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.451 11.724 -5.313 1.00 0.00 H new ATOM 780 N VAL A1118 10.609 13.033 -3.994 1.00 0.00 N ATOM 781 CA VAL A1118 9.367 13.733 -3.719 1.00 0.00 C ATOM 782 C VAL A1118 8.677 14.127 -5.017 1.00 0.00 C ATOM 783 O VAL A1118 9.333 14.477 -6.005 1.00 0.00 O ATOM 784 CB VAL A1118 9.585 14.991 -2.848 1.00 0.00 C ATOM 785 CG1 VAL A1118 10.059 14.604 -1.459 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.577 15.947 -3.494 1.00 0.00 C ATOM 0 H VAL A1118 11.437 13.629 -4.012 1.00 0.00 H new ATOM 0 HA VAL A1118 8.733 13.044 -3.161 1.00 0.00 H new ATOM 0 HB VAL A1118 8.627 15.504 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.207 15.503 -0.861 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.311 13.970 -0.983 1.00 0.00 H new ATOM 0 HG13 VAL A1118 11.000 14.060 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.708 16.821 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.536 15.445 -3.622 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.199 16.261 -4.467 1.00 0.00 H new ATOM 796 N PHE A1119 7.359 14.041 -5.019 1.00 0.00 N ATOM 797 CA PHE A1119 6.570 14.411 -6.179 1.00 0.00 C ATOM 798 C PHE A1119 5.280 15.099 -5.752 1.00 0.00 C ATOM 799 O PHE A1119 4.622 14.674 -4.795 1.00 0.00 O ATOM 800 CB PHE A1119 6.277 13.185 -7.060 1.00 0.00 C ATOM 801 CG PHE A1119 5.638 12.014 -6.355 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.398 11.154 -5.577 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.283 11.749 -6.499 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.822 10.067 -4.955 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.707 10.654 -5.880 1.00 0.00 C ATOM 806 CZ PHE A1119 4.482 9.814 -5.109 1.00 0.00 C ATOM 0 H PHE A1119 6.810 13.716 -4.224 1.00 0.00 H new ATOM 0 HA PHE A1119 7.150 15.116 -6.774 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.625 13.494 -7.877 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.212 12.850 -7.508 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.455 11.338 -5.457 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.672 12.405 -7.101 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.427 9.413 -4.345 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.652 10.458 -6.001 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.035 8.957 -4.627 1.00 0.00 H new ATOM 816 N PRO A1120 4.937 16.205 -6.431 1.00 0.00 N ATOM 817 CA PRO A1120 3.710 16.947 -6.160 1.00 0.00 C ATOM 818 C PRO A1120 2.467 16.133 -6.498 1.00 0.00 C ATOM 819 O PRO A1120 2.309 15.640 -7.619 1.00 0.00 O ATOM 820 CB PRO A1120 3.814 18.182 -7.060 1.00 0.00 C ATOM 821 CG PRO A1120 4.805 17.825 -8.116 1.00 0.00 C ATOM 822 CD PRO A1120 5.737 16.818 -7.506 1.00 0.00 C ATOM 0 HA PRO A1120 3.611 17.198 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.847 18.431 -7.498 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.141 19.054 -6.493 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.306 17.410 -8.992 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.352 18.707 -8.449 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.059 16.077 -8.237 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.637 17.292 -7.114 1.00 0.00 H new ATOM 830 N VAL A1121 1.587 16.008 -5.514 1.00 0.00 N ATOM 831 CA VAL A1121 0.391 15.177 -5.630 1.00 0.00 C ATOM 832 C VAL A1121 -0.553 15.706 -6.711 1.00 0.00 C ATOM 833 O VAL A1121 -1.324 14.955 -7.306 1.00 0.00 O ATOM 834 CB VAL A1121 -0.352 15.106 -4.278 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.410 14.015 -4.284 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.632 14.885 -3.143 1.00 0.00 C ATOM 0 H VAL A1121 1.679 16.478 -4.613 1.00 0.00 H new ATOM 0 HA VAL A1121 0.713 14.176 -5.916 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.857 16.060 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.914 13.992 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.139 14.219 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.937 13.051 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.092 14.837 -2.197 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.167 13.949 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.344 15.710 -3.113 1.00 0.00 H new ATOM 846 N SER A1122 -0.460 16.999 -6.982 1.00 0.00 N ATOM 847 CA SER A1122 -1.300 17.647 -7.979 1.00 0.00 C ATOM 848 C SER A1122 -0.924 17.217 -9.398 1.00 0.00 C ATOM 849 O SER A1122 -1.696 17.401 -10.342 1.00 0.00 O ATOM 850 CB SER A1122 -1.162 19.159 -7.822 1.00 0.00 C ATOM 851 OG SER A1122 0.181 19.498 -7.505 1.00 0.00 O ATOM 0 H SER A1122 0.197 17.627 -6.519 1.00 0.00 H new ATOM 0 HA SER A1122 -2.336 17.347 -7.820 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.463 19.657 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.829 19.513 -7.036 1.00 0.00 H new ATOM 0 HG SER A1122 0.259 20.470 -7.408 1.00 0.00 H new ATOM 857 N PHE A1123 0.260 16.633 -9.536 1.00 0.00 N ATOM 858 CA PHE A1123 0.772 16.223 -10.836 1.00 0.00 C ATOM 859 C PHE A1123 0.488 14.753 -11.111 1.00 0.00 C ATOM 860 O PHE A1123 0.818 14.241 -12.183 1.00 0.00 O ATOM 861 CB PHE A1123 2.283 16.469 -10.917 1.00 0.00 C ATOM 862 CG PHE A1123 2.668 17.902 -11.161 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.247 18.911 -10.311 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.454 18.235 -12.252 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.603 20.223 -10.545 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.811 19.544 -12.493 1.00 0.00 C ATOM 867 CZ PHE A1123 3.385 20.540 -11.637 1.00 0.00 C ATOM 0 H PHE A1123 0.887 16.432 -8.757 1.00 0.00 H new ATOM 0 HA PHE A1123 0.260 16.822 -11.590 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.743 16.135 -9.987 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.696 15.854 -11.716 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.634 18.668 -9.456 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.791 17.459 -12.923 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.270 21.001 -9.874 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.422 19.790 -13.349 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.664 21.567 -11.822 1.00 0.00 H new ATOM 877 N VAL A1124 -0.123 14.069 -10.155 1.00 0.00 N ATOM 878 CA VAL A1124 -0.337 12.635 -10.287 1.00 0.00 C ATOM 879 C VAL A1124 -1.814 12.271 -10.180 1.00 0.00 C ATOM 880 O VAL A1124 -2.582 12.931 -9.482 1.00 0.00 O ATOM 881 CB VAL A1124 0.471 11.840 -9.237 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.956 12.115 -9.381 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.007 12.160 -7.823 1.00 0.00 C ATOM 0 H VAL A1124 -0.476 14.477 -9.289 1.00 0.00 H new ATOM 0 HA VAL A1124 0.016 12.361 -11.281 1.00 0.00 H new ATOM 0 HB VAL A1124 0.294 10.780 -9.418 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.506 11.545 -8.632 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.286 11.819 -10.377 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.145 13.179 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.595 11.585 -7.108 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.140 13.224 -7.629 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -1.046 11.901 -7.718 1.00 0.00 H new ATOM 893 N HIS A1125 -2.203 11.233 -10.904 1.00 0.00 N ATOM 894 CA HIS A1125 -3.550 10.699 -10.846 1.00 0.00 C ATOM 895 C HIS A1125 -3.523 9.410 -10.037 1.00 0.00 C ATOM 896 O HIS A1125 -3.039 8.383 -10.510 1.00 0.00 O ATOM 897 CB HIS A1125 -4.053 10.429 -12.266 1.00 0.00 C ATOM 898 CG HIS A1125 -5.511 10.685 -12.465 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.003 11.889 -12.923 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.583 9.879 -12.303 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.311 11.812 -13.036 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.690 10.605 -12.667 1.00 0.00 N ATOM 0 H HIS A1125 -1.589 10.737 -11.550 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.223 11.413 -10.371 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.489 11.050 -12.962 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.841 9.391 -12.522 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.571 8.857 -11.953 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -7.964 12.603 -13.374 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.651 10.265 -12.654 1.00 0.00 H new ATOM 911 N ILE A1126 -4.011 9.476 -8.812 1.00 0.00 N ATOM 912 CA ILE A1126 -3.903 8.362 -7.878 1.00 0.00 C ATOM 913 C ILE A1126 -4.842 7.226 -8.257 1.00 0.00 C ATOM 914 O ILE A1126 -6.022 7.440 -8.534 1.00 0.00 O ATOM 915 CB ILE A1126 -4.218 8.819 -6.439 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.442 10.099 -6.123 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.872 7.721 -5.441 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.679 10.621 -4.730 1.00 0.00 C ATOM 0 H ILE A1126 -4.490 10.294 -8.435 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.875 8.002 -7.928 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.285 9.024 -6.358 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.377 9.910 -6.254 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.720 10.869 -6.843 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.101 8.062 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.457 6.829 -5.664 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.810 7.486 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.096 11.530 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.738 10.843 -4.600 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.374 9.869 -4.003 1.00 0.00 H new ATOM 930 N LEU A1127 -4.297 6.018 -8.266 1.00 0.00 N ATOM 931 CA LEU A1127 -5.064 4.832 -8.607 1.00 0.00 C ATOM 932 C LEU A1127 -5.752 4.298 -7.362 1.00 0.00 C ATOM 933 O LEU A1127 -6.833 3.715 -7.424 1.00 0.00 O ATOM 934 CB LEU A1127 -4.153 3.739 -9.183 1.00 0.00 C ATOM 935 CG LEU A1127 -2.955 4.231 -10.000 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.123 3.056 -10.478 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.408 5.071 -11.184 1.00 0.00 C ATOM 0 H LEU A1127 -3.320 5.835 -8.039 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.804 5.106 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.781 3.131 -8.358 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.755 3.086 -9.814 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.341 4.858 -9.354 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.275 3.422 -11.057 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.759 2.494 -9.618 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.736 2.406 -11.103 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.537 5.407 -11.746 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.049 4.472 -11.831 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -3.964 5.937 -10.824 1.00 0.00 H new ATOM 949 N SER A1128 -5.084 4.509 -6.226 1.00 0.00 N ATOM 950 CA SER A1128 -5.558 4.055 -4.919 1.00 0.00 C ATOM 951 C SER A1128 -5.658 2.531 -4.852 1.00 0.00 C ATOM 952 O SER A1128 -6.245 1.979 -3.920 1.00 0.00 O ATOM 953 CB SER A1128 -6.905 4.704 -4.579 1.00 0.00 C ATOM 954 OG SER A1128 -6.798 6.118 -4.579 1.00 0.00 O ATOM 0 H SER A1128 -4.193 5.003 -6.188 1.00 0.00 H new ATOM 0 HA SER A1128 -4.824 4.367 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A1128 -7.657 4.392 -5.304 1.00 0.00 H new ATOM 0 HB3 SER A1128 -7.243 4.361 -3.601 1.00 0.00 H new ATOM 0 HG SER A1128 -7.669 6.512 -4.362 1.00 0.00 H new ATOM 960 N ASP A1129 -5.053 1.870 -5.833 1.00 0.00 N ATOM 961 CA ASP A1129 -5.067 0.416 -5.935 1.00 0.00 C ATOM 962 C ASP A1129 -4.185 -0.028 -7.099 1.00 0.00 C ATOM 963 O ASP A1129 -4.689 -0.135 -8.237 1.00 0.00 O ATOM 964 CB ASP A1129 -6.500 -0.102 -6.124 1.00 0.00 C ATOM 965 CG ASP A1129 -6.566 -1.607 -6.308 1.00 0.00 C ATOM 966 OD1 ASP A1129 -6.218 -2.348 -5.361 1.00 0.00 O ATOM 967 OD2 ASP A1129 -6.977 -2.057 -7.396 1.00 0.00 O ATOM 968 OXT ASP A1129 -2.977 -0.231 -6.878 1.00 0.00 O ATOM 0 H ASP A1129 -4.537 2.330 -6.583 1.00 0.00 H new ATOM 0 HA ASP A1129 -4.674 -0.003 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -7.100 0.179 -5.258 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -6.945 0.385 -6.992 1.00 0.00 H new TER 973 ASP A1129