USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=11 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+ -139:sc= 1.09 (180deg=0.618) USER MOD Single : A1074 THR OG1 : rot 170:sc= 0.878 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -74:sc= 0 USER MOD Single : A1079 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A1082 ASN : amide:sc= -0.0805 K(o=-0.081,f=-1.5!) USER MOD Single : A1087 THR OG1 : rot 180:sc=-0.00827 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.59! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -3.32 K(o=-3.3,f=-5.9!) USER MOD Single : A1112 GLN :FLIP amide:sc= -0.215 F(o=-0.89,f=-0.21) USER MOD Single : A1116 LYS NZ :NH3+ -173:sc= -0.0291 (180deg=-0.107) USER MOD Single : A1122 SER OG : rot 180:sc= 0 USER MOD Single : A1125 HIS : no HD1:sc= 0 K(o=0,f=-0.85) USER MOD Single : A1128 SER OG : rot 180:sc= 0.0182 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 1.132 0.805 -0.536 1.00 0.00 N ATOM 2 CA VAL A1069 0.101 0.151 -1.373 1.00 0.00 C ATOM 3 C VAL A1069 -0.468 1.128 -2.400 1.00 0.00 C ATOM 4 O VAL A1069 -1.115 0.722 -3.369 1.00 0.00 O ATOM 5 CB VAL A1069 -1.055 -0.404 -0.510 1.00 0.00 C ATOM 6 CG1 VAL A1069 -0.526 -1.421 0.487 1.00 0.00 C ATOM 7 CG2 VAL A1069 -1.798 0.720 0.206 1.00 0.00 C ATOM 0 HA VAL A1069 0.587 -0.677 -1.890 1.00 0.00 H new ATOM 0 HB VAL A1069 -1.765 -0.901 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -1.351 -1.804 1.088 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -0.055 -2.245 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A1069 0.207 -0.945 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -2.605 0.299 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -1.107 1.257 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -2.213 1.408 -0.530 1.00 0.00 H new ATOM 19 N ARG A1070 -0.219 2.417 -2.187 1.00 0.00 N ATOM 20 CA ARG A1070 -0.791 3.457 -3.028 1.00 0.00 C ATOM 21 C ARG A1070 0.043 3.666 -4.288 1.00 0.00 C ATOM 22 O ARG A1070 1.274 3.695 -4.237 1.00 0.00 O ATOM 23 CB ARG A1070 -0.893 4.764 -2.242 1.00 0.00 C ATOM 24 CG ARG A1070 -1.626 5.866 -2.984 1.00 0.00 C ATOM 25 CD ARG A1070 -1.561 7.175 -2.224 1.00 0.00 C ATOM 26 NE ARG A1070 -2.185 7.083 -0.906 1.00 0.00 N ATOM 27 CZ ARG A1070 -1.629 7.537 0.216 1.00 0.00 C ATOM 28 NH1 ARG A1070 -0.409 8.057 0.186 1.00 0.00 N ATOM 29 NH2 ARG A1070 -2.288 7.465 1.363 1.00 0.00 N ATOM 0 H ARG A1070 0.377 2.764 -1.436 1.00 0.00 H new ATOM 0 HA ARG A1070 -1.789 3.140 -3.332 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.404 4.571 -1.298 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.111 5.109 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.188 5.995 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.667 5.579 -3.131 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.519 7.475 -2.110 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.056 7.954 -2.804 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.103 6.644 -0.841 1.00 0.00 H new ATOM 0 HH11 ARG A1070 0.102 8.109 -0.695 1.00 0.00 H new ATOM 0 HH12 ARG A1070 0.018 8.405 1.044 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.224 7.061 1.389 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -1.859 7.814 2.220 1.00 0.00 H new ATOM 43 N ARG A1071 -0.639 3.818 -5.412 1.00 0.00 N ATOM 44 CA ARG A1071 0.009 4.027 -6.690 1.00 0.00 C ATOM 45 C ARG A1071 -0.581 5.260 -7.354 1.00 0.00 C ATOM 46 O ARG A1071 -1.750 5.574 -7.141 1.00 0.00 O ATOM 47 CB ARG A1071 -0.198 2.803 -7.579 1.00 0.00 C ATOM 48 CG ARG A1071 0.451 1.533 -7.047 1.00 0.00 C ATOM 49 CD ARG A1071 -0.451 0.322 -7.248 1.00 0.00 C ATOM 50 NE ARG A1071 -1.585 0.323 -6.320 1.00 0.00 N ATOM 51 CZ ARG A1071 -2.825 -0.040 -6.648 1.00 0.00 C ATOM 52 NH1 ARG A1071 -3.116 -0.386 -7.895 1.00 0.00 N ATOM 53 NH2 ARG A1071 -3.782 -0.048 -5.729 1.00 0.00 N ATOM 0 H ARG A1071 -1.658 3.799 -5.460 1.00 0.00 H new ATOM 0 HA ARG A1071 1.078 4.175 -6.540 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.268 2.630 -7.697 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.202 3.015 -8.570 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.402 1.369 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.672 1.652 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG A1071 -0.821 0.312 -8.273 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.130 -0.590 -7.110 1.00 0.00 H new ATOM 0 HE ARG A1071 -1.414 0.621 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -2.389 -0.375 -8.610 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -4.067 -0.663 -8.139 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -3.570 0.224 -4.769 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -4.730 -0.326 -5.982 1.00 0.00 H new ATOM 67 N VAL A1072 0.217 5.970 -8.132 1.00 0.00 N ATOM 68 CA VAL A1072 -0.260 7.163 -8.815 1.00 0.00 C ATOM 69 C VAL A1072 0.140 7.148 -10.292 1.00 0.00 C ATOM 70 O VAL A1072 1.142 6.539 -10.672 1.00 0.00 O ATOM 71 CB VAL A1072 0.270 8.453 -8.153 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.173 8.536 -6.704 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.782 8.539 -8.249 1.00 0.00 C ATOM 0 H VAL A1072 1.196 5.743 -8.307 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.347 7.156 -8.737 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.152 9.300 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.212 9.453 -6.258 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.262 8.539 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.212 7.676 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.125 9.458 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.228 7.682 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.081 8.539 -9.297 1.00 0.00 H new ATOM 83 N LYS A1073 -0.656 7.819 -11.109 1.00 0.00 N ATOM 84 CA LYS A1073 -0.424 7.901 -12.545 1.00 0.00 C ATOM 85 C LYS A1073 -0.217 9.351 -12.941 1.00 0.00 C ATOM 86 O LYS A1073 -1.167 10.121 -13.000 1.00 0.00 O ATOM 87 CB LYS A1073 -1.630 7.336 -13.298 1.00 0.00 C ATOM 88 CG LYS A1073 -1.295 6.805 -14.674 1.00 0.00 C ATOM 89 CD LYS A1073 -0.135 5.842 -14.584 1.00 0.00 C ATOM 90 CE LYS A1073 -0.122 4.857 -15.743 1.00 0.00 C ATOM 91 NZ LYS A1073 0.041 5.527 -17.056 1.00 0.00 N ATOM 0 H LYS A1073 -1.485 8.324 -10.795 1.00 0.00 H new ATOM 0 HA LYS A1073 0.463 7.321 -12.799 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -2.073 6.534 -12.707 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.385 8.116 -13.394 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.163 6.303 -15.101 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.043 7.630 -15.341 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.801 6.401 -14.573 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.190 5.294 -13.643 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.689 4.143 -15.600 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -1.051 4.288 -15.742 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -0.587 5.080 -17.754 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -0.204 6.534 -16.965 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 1.028 5.438 -17.371 1.00 0.00 H new ATOM 105 N THR A1074 1.022 9.713 -13.192 1.00 0.00 N ATOM 106 CA THR A1074 1.383 11.093 -13.484 1.00 0.00 C ATOM 107 C THR A1074 0.563 11.667 -14.647 1.00 0.00 C ATOM 108 O THR A1074 0.396 11.021 -15.682 1.00 0.00 O ATOM 109 CB THR A1074 2.885 11.189 -13.796 1.00 0.00 C ATOM 110 OG1 THR A1074 3.204 10.373 -14.926 1.00 0.00 O ATOM 111 CG2 THR A1074 3.701 10.723 -12.603 1.00 0.00 C ATOM 0 H THR A1074 1.810 9.065 -13.201 1.00 0.00 H new ATOM 0 HA THR A1074 1.156 11.688 -12.599 1.00 0.00 H new ATOM 0 HB THR A1074 3.125 12.229 -14.015 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.118 10.566 -15.221 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.763 10.796 -12.838 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.476 11.351 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.451 9.687 -12.373 1.00 0.00 H new ATOM 119 N ILE A1075 0.038 12.875 -14.458 1.00 0.00 N ATOM 120 CA ILE A1075 -0.785 13.529 -15.474 1.00 0.00 C ATOM 121 C ILE A1075 -0.167 14.855 -15.909 1.00 0.00 C ATOM 122 O ILE A1075 -0.755 15.607 -16.686 1.00 0.00 O ATOM 123 CB ILE A1075 -2.230 13.768 -14.975 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.214 14.454 -13.603 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.005 12.453 -14.925 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.592 14.691 -13.024 1.00 0.00 C ATOM 0 H ILE A1075 0.168 13.423 -13.608 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.825 12.856 -16.330 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.738 14.429 -15.678 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.638 13.843 -12.908 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.697 15.410 -13.691 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.019 12.641 -14.572 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.044 12.015 -15.923 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.506 11.762 -14.245 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.500 15.179 -12.054 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.165 15.328 -13.698 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.105 13.737 -12.903 1.00 0.00 H new ATOM 138 N TYR A1076 1.034 15.119 -15.405 1.00 0.00 N ATOM 139 CA TYR A1076 1.809 16.299 -15.775 1.00 0.00 C ATOM 140 C TYR A1076 3.290 15.952 -15.738 1.00 0.00 C ATOM 141 O TYR A1076 3.704 15.086 -14.964 1.00 0.00 O ATOM 142 CB TYR A1076 1.543 17.465 -14.815 1.00 0.00 C ATOM 143 CG TYR A1076 0.151 18.052 -14.900 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.219 18.866 -15.964 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.787 17.805 -13.905 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.484 19.417 -16.032 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.053 18.349 -13.969 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.396 19.154 -15.033 1.00 0.00 C ATOM 149 OH TYR A1076 -3.654 19.706 -15.090 1.00 0.00 O ATOM 0 H TYR A1076 1.500 14.518 -14.725 1.00 0.00 H new ATOM 0 HA TYR A1076 1.511 16.605 -16.778 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.716 17.124 -13.794 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.268 18.254 -15.015 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.493 19.071 -16.750 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.520 17.177 -13.068 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.757 20.050 -16.863 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.772 18.145 -13.189 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.173 19.420 -14.309 1.00 0.00 H new ATOM 159 N ASP A1077 4.078 16.609 -16.574 1.00 0.00 N ATOM 160 CA ASP A1077 5.524 16.413 -16.573 1.00 0.00 C ATOM 161 C ASP A1077 6.143 17.181 -15.416 1.00 0.00 C ATOM 162 O ASP A1077 5.768 18.324 -15.156 1.00 0.00 O ATOM 163 CB ASP A1077 6.147 16.889 -17.890 1.00 0.00 C ATOM 164 CG ASP A1077 5.960 15.918 -19.044 1.00 0.00 C ATOM 165 OD1 ASP A1077 5.211 14.932 -18.898 1.00 0.00 O ATOM 166 OD2 ASP A1077 6.574 16.147 -20.112 1.00 0.00 O ATOM 0 H ASP A1077 3.744 17.283 -17.263 1.00 0.00 H new ATOM 0 HA ASP A1077 5.723 15.347 -16.462 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.710 17.850 -18.162 1.00 0.00 H new ATOM 0 HB3 ASP A1077 7.213 17.056 -17.737 1.00 0.00 H new ATOM 171 N CYS A1078 7.077 16.557 -14.717 1.00 0.00 N ATOM 172 CA CYS A1078 7.746 17.211 -13.607 1.00 0.00 C ATOM 173 C CYS A1078 9.255 17.059 -13.743 1.00 0.00 C ATOM 174 O CYS A1078 9.801 15.963 -13.575 1.00 0.00 O ATOM 175 CB CYS A1078 7.273 16.640 -12.274 1.00 0.00 C ATOM 176 SG CYS A1078 7.790 17.591 -10.823 1.00 0.00 S ATOM 0 H CYS A1078 7.387 15.602 -14.898 1.00 0.00 H new ATOM 0 HA CYS A1078 7.494 18.271 -13.630 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.185 16.580 -12.285 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.647 15.621 -12.177 1.00 0.00 H new ATOM 0 HG CYS A1078 9.056 17.395 -10.604 1.00 0.00 H new ATOM 182 N GLN A1079 9.920 18.153 -14.075 1.00 0.00 N ATOM 183 CA GLN A1079 11.364 18.160 -14.200 1.00 0.00 C ATOM 184 C GLN A1079 11.987 18.593 -12.882 1.00 0.00 C ATOM 185 O GLN A1079 12.125 19.785 -12.611 1.00 0.00 O ATOM 186 CB GLN A1079 11.816 19.076 -15.345 1.00 0.00 C ATOM 187 CG GLN A1079 11.635 18.470 -16.735 1.00 0.00 C ATOM 188 CD GLN A1079 10.181 18.316 -17.144 1.00 0.00 C ATOM 189 OE1 GLN A1079 9.322 19.100 -16.748 1.00 0.00 O ATOM 190 NE2 GLN A1079 9.898 17.303 -17.948 1.00 0.00 N ATOM 0 H GLN A1079 9.477 19.052 -14.263 1.00 0.00 H new ATOM 0 HA GLN A1079 11.700 17.151 -14.438 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.257 20.010 -15.292 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.867 19.326 -15.203 1.00 0.00 H new ATOM 0 HG2 GLN A1079 12.145 19.098 -17.466 1.00 0.00 H new ATOM 0 HG3 GLN A1079 12.117 17.493 -16.762 1.00 0.00 H new ATOM 0 HE21 GLN A1079 10.639 16.673 -18.255 1.00 0.00 H new ATOM 0 HE22 GLN A1079 8.939 17.152 -18.260 1.00 0.00 H new ATOM 199 N ALA A1080 12.337 17.595 -12.075 1.00 0.00 N ATOM 200 CA ALA A1080 12.856 17.791 -10.719 1.00 0.00 C ATOM 201 C ALA A1080 13.834 18.955 -10.613 1.00 0.00 C ATOM 202 O ALA A1080 14.819 19.031 -11.355 1.00 0.00 O ATOM 203 CB ALA A1080 13.530 16.519 -10.237 1.00 0.00 C ATOM 0 H ALA A1080 12.268 16.614 -12.345 1.00 0.00 H new ATOM 0 HA ALA A1080 12.000 18.034 -10.089 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.914 16.671 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.807 15.704 -10.231 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.354 16.268 -10.905 1.00 0.00 H new ATOM 209 N ASP A1081 13.550 19.854 -9.681 1.00 0.00 N ATOM 210 CA ASP A1081 14.419 20.990 -9.410 1.00 0.00 C ATOM 211 C ASP A1081 15.273 20.701 -8.181 1.00 0.00 C ATOM 212 O ASP A1081 16.402 21.180 -8.061 1.00 0.00 O ATOM 213 CB ASP A1081 13.589 22.260 -9.195 1.00 0.00 C ATOM 214 CG ASP A1081 14.448 23.488 -8.961 1.00 0.00 C ATOM 215 OD1 ASP A1081 15.110 23.949 -9.914 1.00 0.00 O ATOM 216 OD2 ASP A1081 14.468 24.002 -7.826 1.00 0.00 O ATOM 0 H ASP A1081 12.716 19.817 -9.095 1.00 0.00 H new ATOM 0 HA ASP A1081 15.072 21.149 -10.268 1.00 0.00 H new ATOM 0 HB2 ASP A1081 12.954 22.426 -10.066 1.00 0.00 H new ATOM 0 HB3 ASP A1081 12.927 22.116 -8.341 1.00 0.00 H new ATOM 221 N ASN A1082 14.724 19.906 -7.270 1.00 0.00 N ATOM 222 CA ASN A1082 15.458 19.474 -6.086 1.00 0.00 C ATOM 223 C ASN A1082 16.111 18.123 -6.331 1.00 0.00 C ATOM 224 O ASN A1082 15.593 17.293 -7.073 1.00 0.00 O ATOM 225 CB ASN A1082 14.534 19.388 -4.866 1.00 0.00 C ATOM 226 CG ASN A1082 14.231 20.744 -4.266 1.00 0.00 C ATOM 227 OD1 ASN A1082 15.050 21.661 -4.335 1.00 0.00 O ATOM 228 ND2 ASN A1082 13.065 20.880 -3.655 1.00 0.00 N ATOM 0 H ASN A1082 13.771 19.547 -7.329 1.00 0.00 H new ATOM 0 HA ASN A1082 16.231 20.215 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A1082 13.600 18.907 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.997 18.755 -4.109 1.00 0.00 H new ATOM 0 HD21 ASN A1082 12.818 21.769 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A1082 12.413 20.096 -3.619 1.00 0.00 H new ATOM 235 N ASP A1083 17.252 17.904 -5.691 1.00 0.00 N ATOM 236 CA ASP A1083 18.006 16.662 -5.855 1.00 0.00 C ATOM 237 C ASP A1083 17.353 15.508 -5.102 1.00 0.00 C ATOM 238 O ASP A1083 17.732 14.352 -5.277 1.00 0.00 O ATOM 239 CB ASP A1083 19.451 16.846 -5.385 1.00 0.00 C ATOM 240 CG ASP A1083 20.354 17.398 -6.470 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.226 18.594 -6.815 1.00 0.00 O ATOM 242 OD2 ASP A1083 21.211 16.639 -6.971 1.00 0.00 O ATOM 0 H ASP A1083 17.680 18.572 -5.050 1.00 0.00 H new ATOM 0 HA ASP A1083 18.006 16.415 -6.917 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.467 17.519 -4.528 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.843 15.887 -5.045 1.00 0.00 H new ATOM 247 N ASP A1084 16.384 15.833 -4.255 1.00 0.00 N ATOM 248 CA ASP A1084 15.605 14.820 -3.541 1.00 0.00 C ATOM 249 C ASP A1084 14.228 14.690 -4.189 1.00 0.00 C ATOM 250 O ASP A1084 13.354 13.960 -3.724 1.00 0.00 O ATOM 251 CB ASP A1084 15.484 15.195 -2.056 1.00 0.00 C ATOM 252 CG ASP A1084 14.759 14.150 -1.224 1.00 0.00 C ATOM 253 OD1 ASP A1084 15.072 12.945 -1.355 1.00 0.00 O ATOM 254 OD2 ASP A1084 13.868 14.532 -0.434 1.00 0.00 O ATOM 0 H ASP A1084 16.115 16.794 -4.043 1.00 0.00 H new ATOM 0 HA ASP A1084 16.112 13.857 -3.603 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.482 15.346 -1.645 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.957 16.145 -1.971 1.00 0.00 H new ATOM 259 N GLU A1085 14.060 15.402 -5.291 1.00 0.00 N ATOM 260 CA GLU A1085 12.821 15.385 -6.047 1.00 0.00 C ATOM 261 C GLU A1085 12.918 14.312 -7.126 1.00 0.00 C ATOM 262 O GLU A1085 13.997 13.766 -7.368 1.00 0.00 O ATOM 263 CB GLU A1085 12.600 16.756 -6.684 1.00 0.00 C ATOM 264 CG GLU A1085 11.168 17.056 -7.079 1.00 0.00 C ATOM 265 CD GLU A1085 11.056 18.358 -7.839 1.00 0.00 C ATOM 266 OE1 GLU A1085 11.786 19.319 -7.496 1.00 0.00 O ATOM 267 OE2 GLU A1085 10.266 18.421 -8.798 1.00 0.00 O ATOM 0 H GLU A1085 14.779 16.008 -5.686 1.00 0.00 H new ATOM 0 HA GLU A1085 11.980 15.162 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A1085 12.937 17.523 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A1085 13.229 16.834 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A1085 10.782 16.242 -7.693 1.00 0.00 H new ATOM 0 HG3 GLU A1085 10.546 17.103 -6.185 1.00 0.00 H new ATOM 274 N LEU A1086 11.812 14.015 -7.776 1.00 0.00 N ATOM 275 CA LEU A1086 11.800 12.988 -8.801 1.00 0.00 C ATOM 276 C LEU A1086 11.471 13.575 -10.167 1.00 0.00 C ATOM 277 O LEU A1086 10.644 14.478 -10.285 1.00 0.00 O ATOM 278 CB LEU A1086 10.801 11.883 -8.454 1.00 0.00 C ATOM 279 CG LEU A1086 10.713 10.760 -9.487 1.00 0.00 C ATOM 280 CD1 LEU A1086 12.068 10.106 -9.687 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.693 9.726 -9.064 1.00 0.00 C ATOM 0 H LEU A1086 10.912 14.467 -7.615 1.00 0.00 H new ATOM 0 HA LEU A1086 12.800 12.557 -8.843 1.00 0.00 H new ATOM 0 HB2 LEU A1086 11.075 11.453 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.813 12.328 -8.335 1.00 0.00 H new ATOM 0 HG LEU A1086 10.396 11.196 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.982 9.310 -10.426 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.783 10.850 -10.037 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.413 9.688 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.645 8.935 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.983 9.300 -8.104 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.714 10.197 -8.971 1.00 0.00 H new ATOM 293 N THR A1087 12.127 13.054 -11.191 1.00 0.00 N ATOM 294 CA THR A1087 11.863 13.463 -12.558 1.00 0.00 C ATOM 295 C THR A1087 11.007 12.410 -13.244 1.00 0.00 C ATOM 296 O THR A1087 11.368 11.232 -13.282 1.00 0.00 O ATOM 297 CB THR A1087 13.159 13.648 -13.365 1.00 0.00 C ATOM 298 OG1 THR A1087 14.115 14.395 -12.601 1.00 0.00 O ATOM 299 CG2 THR A1087 12.880 14.372 -14.674 1.00 0.00 C ATOM 0 H THR A1087 12.851 12.342 -11.098 1.00 0.00 H new ATOM 0 HA THR A1087 11.345 14.421 -12.520 1.00 0.00 H new ATOM 0 HB THR A1087 13.564 12.661 -13.587 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.937 14.505 -13.123 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.811 14.492 -15.229 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.176 13.790 -15.269 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.454 15.353 -14.464 1.00 0.00 H new ATOM 307 N PHE A1088 9.876 12.834 -13.767 1.00 0.00 N ATOM 308 CA PHE A1088 8.960 11.932 -14.441 1.00 0.00 C ATOM 309 C PHE A1088 8.177 12.681 -15.504 1.00 0.00 C ATOM 310 O PHE A1088 8.114 13.914 -15.491 1.00 0.00 O ATOM 311 CB PHE A1088 7.992 11.286 -13.439 1.00 0.00 C ATOM 312 CG PHE A1088 7.181 12.274 -12.642 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.071 12.896 -13.196 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.537 12.584 -11.341 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.335 13.806 -12.466 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.807 13.498 -10.610 1.00 0.00 C ATOM 317 CZ PHE A1088 5.703 14.111 -11.174 1.00 0.00 C ATOM 0 H PHE A1088 9.565 13.805 -13.739 1.00 0.00 H new ATOM 0 HA PHE A1088 9.545 11.143 -14.914 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.313 10.627 -13.980 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.562 10.661 -12.751 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.780 12.665 -14.210 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.395 12.105 -10.893 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.470 14.279 -12.907 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.098 13.735 -9.597 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.131 14.827 -10.603 1.00 0.00 H new ATOM 327 N ILE A1089 7.593 11.932 -16.417 1.00 0.00 N ATOM 328 CA ILE A1089 6.699 12.494 -17.410 1.00 0.00 C ATOM 329 C ILE A1089 5.311 11.910 -17.220 1.00 0.00 C ATOM 330 O ILE A1089 5.152 10.822 -16.644 1.00 0.00 O ATOM 331 CB ILE A1089 7.207 12.258 -18.856 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.510 10.777 -19.125 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.443 13.102 -19.113 1.00 0.00 C ATOM 334 CD1 ILE A1089 6.310 9.965 -19.569 1.00 0.00 C ATOM 0 H ILE A1089 7.723 10.923 -16.492 1.00 0.00 H new ATOM 0 HA ILE A1089 6.664 13.574 -17.267 1.00 0.00 H new ATOM 0 HB ILE A1089 6.412 12.556 -19.540 1.00 0.00 H new ATOM 0 HG12 ILE A1089 8.283 10.710 -19.891 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.920 10.332 -18.218 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.795 12.932 -20.130 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.197 14.156 -18.986 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.226 12.825 -18.407 1.00 0.00 H new ATOM 0 HD11 ILE A1089 6.612 8.931 -19.737 1.00 0.00 H new ATOM 0 HD12 ILE A1089 5.542 9.998 -18.796 1.00 0.00 H new ATOM 0 HD13 ILE A1089 5.911 10.381 -20.494 1.00 0.00 H new ATOM 346 N GLU A1090 4.301 12.635 -17.666 1.00 0.00 N ATOM 347 CA GLU A1090 2.935 12.188 -17.475 1.00 0.00 C ATOM 348 C GLU A1090 2.676 10.891 -18.219 1.00 0.00 C ATOM 349 O GLU A1090 2.960 10.757 -19.408 1.00 0.00 O ATOM 350 CB GLU A1090 1.919 13.276 -17.838 1.00 0.00 C ATOM 351 CG GLU A1090 2.128 13.969 -19.172 1.00 0.00 C ATOM 352 CD GLU A1090 1.603 13.177 -20.348 1.00 0.00 C ATOM 353 OE1 GLU A1090 0.466 12.661 -20.265 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.315 13.067 -21.365 1.00 0.00 O ATOM 0 H GLU A1090 4.399 13.524 -18.156 1.00 0.00 H new ATOM 0 HA GLU A1090 2.801 11.986 -16.412 1.00 0.00 H new ATOM 0 HB2 GLU A1090 0.924 12.831 -17.835 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.932 14.032 -17.053 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.636 14.941 -19.149 1.00 0.00 H new ATOM 0 HG3 GLU A1090 3.193 14.154 -19.314 1.00 0.00 H new ATOM 361 N GLY A1091 2.174 9.922 -17.481 1.00 0.00 N ATOM 362 CA GLY A1091 1.915 8.618 -18.032 1.00 0.00 C ATOM 363 C GLY A1091 2.727 7.545 -17.339 1.00 0.00 C ATOM 364 O GLY A1091 2.544 6.357 -17.601 1.00 0.00 O ATOM 0 H GLY A1091 1.938 10.019 -16.493 1.00 0.00 H new ATOM 0 HA2 GLY A1091 0.854 8.388 -17.939 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.148 8.620 -19.097 1.00 0.00 H new ATOM 368 N GLU A1092 3.618 7.957 -16.446 1.00 0.00 N ATOM 369 CA GLU A1092 4.424 7.009 -15.690 1.00 0.00 C ATOM 370 C GLU A1092 3.758 6.673 -14.361 1.00 0.00 C ATOM 371 O GLU A1092 3.011 7.480 -13.802 1.00 0.00 O ATOM 372 CB GLU A1092 5.829 7.563 -15.450 1.00 0.00 C ATOM 373 CG GLU A1092 6.594 7.823 -16.735 1.00 0.00 C ATOM 374 CD GLU A1092 8.044 8.179 -16.495 1.00 0.00 C ATOM 375 OE1 GLU A1092 8.329 9.341 -16.145 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.911 7.292 -16.665 1.00 0.00 O ATOM 0 H GLU A1092 3.800 8.937 -16.229 1.00 0.00 H new ATOM 0 HA GLU A1092 4.507 6.095 -16.278 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.755 8.492 -14.884 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.391 6.859 -14.836 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.543 6.937 -17.368 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.112 8.634 -17.281 1.00 0.00 H new ATOM 383 N VAL A1093 4.017 5.470 -13.874 1.00 0.00 N ATOM 384 CA VAL A1093 3.457 5.016 -12.613 1.00 0.00 C ATOM 385 C VAL A1093 4.442 5.256 -11.482 1.00 0.00 C ATOM 386 O VAL A1093 5.597 4.837 -11.550 1.00 0.00 O ATOM 387 CB VAL A1093 3.114 3.513 -12.649 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.334 3.100 -11.408 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.350 3.157 -13.914 1.00 0.00 C ATOM 0 H VAL A1093 4.616 4.787 -14.337 1.00 0.00 H new ATOM 0 HA VAL A1093 2.542 5.584 -12.447 1.00 0.00 H new ATOM 0 HB VAL A1093 4.052 2.958 -12.656 1.00 0.00 H new ATOM 0 HG11 VAL A1093 2.105 2.036 -11.460 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.932 3.300 -10.519 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.405 3.668 -11.356 1.00 0.00 H new ATOM 0 HG21 VAL A1093 2.121 2.091 -13.913 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.422 3.727 -13.951 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.958 3.397 -14.786 1.00 0.00 H new ATOM 399 N ILE A1094 3.986 5.930 -10.450 1.00 0.00 N ATOM 400 CA ILE A1094 4.792 6.135 -9.261 1.00 0.00 C ATOM 401 C ILE A1094 4.132 5.444 -8.082 1.00 0.00 C ATOM 402 O ILE A1094 2.929 5.582 -7.869 1.00 0.00 O ATOM 403 CB ILE A1094 4.984 7.630 -8.919 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.640 8.382 -10.079 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.824 7.778 -7.657 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.882 9.850 -9.785 1.00 0.00 C ATOM 0 H ILE A1094 3.057 6.349 -10.408 1.00 0.00 H new ATOM 0 HA ILE A1094 5.777 5.714 -9.464 1.00 0.00 H new ATOM 0 HB ILE A1094 4.000 8.065 -8.746 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.590 7.906 -10.320 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.007 8.295 -10.962 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.952 8.836 -7.427 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.321 7.284 -6.825 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.801 7.320 -7.814 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.349 10.322 -10.649 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.932 10.340 -9.573 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.539 9.944 -8.921 1.00 0.00 H new ATOM 418 N ILE A1095 4.899 4.682 -7.333 1.00 0.00 N ATOM 419 CA ILE A1095 4.374 4.040 -6.147 1.00 0.00 C ATOM 420 C ILE A1095 4.708 4.875 -4.921 1.00 0.00 C ATOM 421 O ILE A1095 5.878 5.148 -4.644 1.00 0.00 O ATOM 422 CB ILE A1095 4.911 2.605 -5.981 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.552 1.774 -7.217 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.355 1.968 -4.717 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.890 0.306 -7.096 1.00 0.00 C ATOM 0 H ILE A1095 5.883 4.492 -7.522 1.00 0.00 H new ATOM 0 HA ILE A1095 3.292 3.968 -6.257 1.00 0.00 H new ATOM 0 HB ILE A1095 5.996 2.640 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.484 1.875 -7.411 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.073 2.185 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.746 0.955 -4.618 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.653 2.559 -3.851 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.267 1.933 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.604 -0.210 -8.013 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.962 0.192 -6.934 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.348 -0.124 -6.254 1.00 0.00 H new ATOM 437 N VAL A1096 3.668 5.294 -4.214 1.00 0.00 N ATOM 438 CA VAL A1096 3.811 6.154 -3.050 1.00 0.00 C ATOM 439 C VAL A1096 4.372 5.368 -1.876 1.00 0.00 C ATOM 440 O VAL A1096 3.702 4.489 -1.330 1.00 0.00 O ATOM 441 CB VAL A1096 2.453 6.763 -2.649 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.622 7.733 -1.492 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.801 7.450 -3.838 1.00 0.00 C ATOM 0 H VAL A1096 2.703 5.047 -4.432 1.00 0.00 H new ATOM 0 HA VAL A1096 4.499 6.958 -3.312 1.00 0.00 H new ATOM 0 HB VAL A1096 1.798 5.955 -2.323 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.652 8.152 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.040 7.206 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.296 8.537 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.844 7.873 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.451 8.247 -4.200 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.640 6.724 -4.635 1.00 0.00 H new ATOM 453 N THR A1097 5.595 5.684 -1.491 1.00 0.00 N ATOM 454 CA THR A1097 6.274 4.955 -0.436 1.00 0.00 C ATOM 455 C THR A1097 6.346 5.783 0.851 1.00 0.00 C ATOM 456 O THR A1097 6.782 5.294 1.895 1.00 0.00 O ATOM 457 CB THR A1097 7.692 4.549 -0.891 1.00 0.00 C ATOM 458 OG1 THR A1097 8.429 5.708 -1.288 1.00 0.00 O ATOM 459 CG2 THR A1097 7.633 3.573 -2.062 1.00 0.00 C ATOM 0 H THR A1097 6.141 6.445 -1.896 1.00 0.00 H new ATOM 0 HA THR A1097 5.699 4.053 -0.226 1.00 0.00 H new ATOM 0 HB THR A1097 8.187 4.063 -0.050 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.328 5.442 -1.574 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.646 3.304 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.093 2.675 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.118 4.042 -2.901 1.00 0.00 H new ATOM 467 N GLY A1098 5.912 7.039 0.772 1.00 0.00 N ATOM 468 CA GLY A1098 5.881 7.901 1.941 1.00 0.00 C ATOM 469 C GLY A1098 5.193 9.224 1.654 1.00 0.00 C ATOM 470 O GLY A1098 4.874 9.520 0.505 1.00 0.00 O ATOM 0 H GLY A1098 5.579 7.477 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.363 7.392 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A1098 6.900 8.088 2.281 1.00 0.00 H new ATOM 474 N GLU A1099 4.960 10.019 2.690 1.00 0.00 N ATOM 475 CA GLU A1099 4.304 11.316 2.542 1.00 0.00 C ATOM 476 C GLU A1099 5.055 12.368 3.353 1.00 0.00 C ATOM 477 O GLU A1099 5.276 12.177 4.548 1.00 0.00 O ATOM 478 CB GLU A1099 2.842 11.260 3.026 1.00 0.00 C ATOM 479 CG GLU A1099 1.925 10.333 2.232 1.00 0.00 C ATOM 480 CD GLU A1099 2.103 8.863 2.567 1.00 0.00 C ATOM 481 OE1 GLU A1099 2.372 8.539 3.744 1.00 0.00 O ATOM 482 OE2 GLU A1099 1.950 8.022 1.661 1.00 0.00 O ATOM 0 H GLU A1099 5.217 9.788 3.650 1.00 0.00 H new ATOM 0 HA GLU A1099 4.312 11.578 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.834 10.945 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.428 12.268 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A1099 0.889 10.616 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.109 10.479 1.168 1.00 0.00 H new ATOM 489 N GLU A1100 5.450 13.474 2.722 1.00 0.00 N ATOM 490 CA GLU A1100 6.179 14.515 3.446 1.00 0.00 C ATOM 491 C GLU A1100 5.341 15.788 3.550 1.00 0.00 C ATOM 492 O GLU A1100 5.672 16.708 4.300 1.00 0.00 O ATOM 493 CB GLU A1100 7.532 14.825 2.789 1.00 0.00 C ATOM 494 CG GLU A1100 7.443 15.582 1.480 1.00 0.00 C ATOM 495 CD GLU A1100 8.575 16.573 1.329 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.753 16.157 1.345 1.00 0.00 O ATOM 497 OE2 GLU A1100 8.294 17.783 1.214 1.00 0.00 O ATOM 0 H GLU A1100 5.283 13.670 1.735 1.00 0.00 H new ATOM 0 HA GLU A1100 6.374 14.135 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A1100 8.135 15.405 3.488 1.00 0.00 H new ATOM 0 HB3 GLU A1100 8.059 13.887 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.464 14.876 0.649 1.00 0.00 H new ATOM 0 HG3 GLU A1100 6.490 16.108 1.428 1.00 0.00 H new ATOM 504 N ASP A1101 4.261 15.829 2.785 1.00 0.00 N ATOM 505 CA ASP A1101 3.349 16.966 2.775 1.00 0.00 C ATOM 506 C ASP A1101 2.003 16.500 2.225 1.00 0.00 C ATOM 507 O ASP A1101 1.825 15.305 1.988 1.00 0.00 O ATOM 508 CB ASP A1101 3.930 18.105 1.922 1.00 0.00 C ATOM 509 CG ASP A1101 3.157 19.406 2.039 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.374 20.145 3.023 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.329 19.693 1.149 1.00 0.00 O ATOM 0 H ASP A1101 3.991 15.076 2.153 1.00 0.00 H new ATOM 0 HA ASP A1101 3.213 17.349 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.964 18.279 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.946 17.794 0.877 1.00 0.00 H new ATOM 516 N GLN A1102 1.060 17.405 2.008 1.00 0.00 N ATOM 517 CA GLN A1102 -0.230 17.011 1.467 1.00 0.00 C ATOM 518 C GLN A1102 -0.137 16.859 -0.048 1.00 0.00 C ATOM 519 O GLN A1102 -0.707 15.931 -0.623 1.00 0.00 O ATOM 520 CB GLN A1102 -1.326 18.015 1.838 1.00 0.00 C ATOM 521 CG GLN A1102 -2.698 17.609 1.322 1.00 0.00 C ATOM 522 CD GLN A1102 -3.805 18.551 1.747 1.00 0.00 C ATOM 523 OE1 GLN A1102 -4.442 18.357 2.783 1.00 0.00 O ATOM 524 NE2 GLN A1102 -4.028 19.588 0.959 1.00 0.00 N ATOM 0 H GLN A1102 1.162 18.403 2.195 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.501 16.051 1.907 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.367 18.117 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.067 18.994 1.435 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.669 17.562 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -2.929 16.605 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -3.477 19.711 0.110 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -4.751 20.266 1.200 1.00 0.00 H new ATOM 533 N GLU A1103 0.619 17.743 -0.690 1.00 0.00 N ATOM 534 CA GLU A1103 0.760 17.691 -2.135 1.00 0.00 C ATOM 535 C GLU A1103 2.176 17.311 -2.519 1.00 0.00 C ATOM 536 O GLU A1103 2.586 17.476 -3.667 1.00 0.00 O ATOM 537 CB GLU A1103 0.360 19.014 -2.794 1.00 0.00 C ATOM 538 CG GLU A1103 0.903 20.253 -2.112 1.00 0.00 C ATOM 539 CD GLU A1103 0.426 21.519 -2.788 1.00 0.00 C ATOM 540 OE1 GLU A1103 -0.675 22.000 -2.442 1.00 0.00 O ATOM 541 OE2 GLU A1103 1.136 22.029 -3.677 1.00 0.00 O ATOM 0 H GLU A1103 1.137 18.495 -0.236 1.00 0.00 H new ATOM 0 HA GLU A1103 0.079 16.924 -2.503 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.702 19.006 -3.829 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.728 19.077 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.592 20.259 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A1103 1.993 20.225 -2.120 1.00 0.00 H new ATOM 548 N TRP A1104 2.910 16.785 -1.555 1.00 0.00 N ATOM 549 CA TRP A1104 4.272 16.344 -1.784 1.00 0.00 C ATOM 550 C TRP A1104 4.525 15.024 -1.085 1.00 0.00 C ATOM 551 O TRP A1104 4.662 14.956 0.140 1.00 0.00 O ATOM 552 CB TRP A1104 5.261 17.408 -1.319 1.00 0.00 C ATOM 553 CG TRP A1104 5.256 18.611 -2.206 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.410 19.682 -2.140 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.125 18.848 -3.313 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.702 20.571 -3.147 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.761 20.084 -3.875 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.181 18.133 -3.879 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.418 20.620 -4.978 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.834 18.661 -4.972 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.451 19.897 -5.512 1.00 0.00 C ATOM 0 H TRP A1104 2.581 16.653 -0.599 1.00 0.00 H new ATOM 0 HA TRP A1104 4.416 16.193 -2.854 1.00 0.00 H new ATOM 0 HB2 TRP A1104 5.016 17.709 -0.300 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.264 16.982 -1.293 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.628 19.811 -1.406 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.213 21.448 -3.325 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.482 17.181 -3.467 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.124 21.571 -5.397 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.652 18.115 -5.419 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.982 20.287 -6.368 1.00 0.00 H new ATOM 572 N TRP A1105 4.560 13.967 -1.868 1.00 0.00 N ATOM 573 CA TRP A1105 4.750 12.636 -1.325 1.00 0.00 C ATOM 574 C TRP A1105 6.079 12.069 -1.784 1.00 0.00 C ATOM 575 O TRP A1105 6.724 12.618 -2.674 1.00 0.00 O ATOM 576 CB TRP A1105 3.599 11.714 -1.743 1.00 0.00 C ATOM 577 CG TRP A1105 2.271 12.104 -1.158 1.00 0.00 C ATOM 578 CD1 TRP A1105 2.040 13.052 -0.205 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.990 11.558 -1.490 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.705 13.127 0.080 1.00 0.00 N ATOM 581 CE2 TRP A1105 0.034 12.221 -0.695 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.557 10.577 -2.381 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.326 11.931 -0.767 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.792 10.291 -2.450 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.719 10.965 -1.648 1.00 0.00 C ATOM 0 H TRP A1105 4.460 14.002 -2.882 1.00 0.00 H new ATOM 0 HA TRP A1105 4.756 12.702 -0.237 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.521 11.714 -2.830 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.834 10.694 -1.440 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.804 13.658 0.259 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.278 13.756 0.760 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.264 10.051 -3.006 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.043 12.451 -0.149 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.138 9.532 -3.136 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.767 10.716 -1.727 1.00 0.00 H new ATOM 596 N ILE A1106 6.478 10.979 -1.167 1.00 0.00 N ATOM 597 CA ILE A1106 7.722 10.316 -1.492 1.00 0.00 C ATOM 598 C ILE A1106 7.408 8.968 -2.102 1.00 0.00 C ATOM 599 O ILE A1106 6.531 8.255 -1.620 1.00 0.00 O ATOM 600 CB ILE A1106 8.602 10.122 -0.237 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.950 11.478 0.377 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.870 9.354 -0.580 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.638 11.381 1.719 1.00 0.00 C ATOM 0 H ILE A1106 5.947 10.526 -0.423 1.00 0.00 H new ATOM 0 HA ILE A1106 8.276 10.937 -2.196 1.00 0.00 H new ATOM 0 HB ILE A1106 8.039 9.540 0.492 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.594 12.024 -0.312 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.036 12.061 0.489 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.474 9.229 0.319 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.606 8.374 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.440 9.907 -1.326 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.853 12.383 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.988 10.864 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.570 10.826 1.611 1.00 0.00 H new ATOM 615 N GLY A1107 8.086 8.634 -3.175 1.00 0.00 N ATOM 616 CA GLY A1107 7.814 7.390 -3.841 1.00 0.00 C ATOM 617 C GLY A1107 8.886 7.034 -4.829 1.00 0.00 C ATOM 618 O GLY A1107 9.967 7.616 -4.812 1.00 0.00 O ATOM 0 H GLY A1107 8.821 9.201 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.725 6.595 -3.101 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.855 7.456 -4.355 1.00 0.00 H new ATOM 622 N HIS A1108 8.577 6.093 -5.697 1.00 0.00 N ATOM 623 CA HIS A1108 9.529 5.621 -6.688 1.00 0.00 C ATOM 624 C HIS A1108 8.820 5.363 -8.014 1.00 0.00 C ATOM 625 O HIS A1108 7.636 5.017 -8.036 1.00 0.00 O ATOM 626 CB HIS A1108 10.255 4.344 -6.201 1.00 0.00 C ATOM 627 CG HIS A1108 9.388 3.126 -5.974 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.500 2.317 -4.862 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.437 2.548 -6.747 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.660 1.301 -4.970 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.006 1.419 -6.103 1.00 0.00 N ATOM 0 H HIS A1108 7.667 5.635 -5.738 1.00 0.00 H new ATOM 0 HA HIS A1108 10.282 6.395 -6.836 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.022 4.087 -6.932 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.769 4.577 -5.268 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.133 2.478 -4.078 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.083 2.912 -7.700 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.533 0.508 -4.248 1.00 0.00 H new ATOM 640 N ILE A1109 9.540 5.552 -9.109 1.00 0.00 N ATOM 641 CA ILE A1109 9.037 5.206 -10.430 1.00 0.00 C ATOM 642 C ILE A1109 8.920 3.689 -10.554 1.00 0.00 C ATOM 643 O ILE A1109 9.878 2.962 -10.295 1.00 0.00 O ATOM 644 CB ILE A1109 9.964 5.754 -11.547 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.824 7.275 -11.663 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.667 5.093 -12.889 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.482 7.728 -12.206 1.00 0.00 C ATOM 0 H ILE A1109 10.481 5.946 -9.108 1.00 0.00 H new ATOM 0 HA ILE A1109 8.055 5.663 -10.551 1.00 0.00 H new ATOM 0 HB ILE A1109 10.991 5.514 -11.273 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.976 7.720 -10.680 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.614 7.655 -12.311 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.333 5.499 -13.650 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.822 4.017 -12.807 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.632 5.290 -13.170 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.459 8.816 -12.259 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.334 7.313 -13.203 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.687 7.380 -11.547 1.00 0.00 H new ATOM 659 N GLU A1110 7.741 3.212 -10.910 1.00 0.00 N ATOM 660 CA GLU A1110 7.534 1.791 -11.120 1.00 0.00 C ATOM 661 C GLU A1110 8.255 1.364 -12.397 1.00 0.00 C ATOM 662 O GLU A1110 8.087 1.979 -13.450 1.00 0.00 O ATOM 663 CB GLU A1110 6.034 1.484 -11.193 1.00 0.00 C ATOM 664 CG GLU A1110 5.694 0.034 -11.504 1.00 0.00 C ATOM 665 CD GLU A1110 6.465 -0.958 -10.657 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.128 -1.118 -9.471 1.00 0.00 O ATOM 667 OE2 GLU A1110 7.410 -1.587 -11.180 1.00 0.00 O ATOM 0 H GLU A1110 6.912 3.788 -11.060 1.00 0.00 H new ATOM 0 HA GLU A1110 7.946 1.226 -10.284 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.575 1.754 -10.242 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.584 2.120 -11.956 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.626 -0.122 -11.352 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.898 -0.162 -12.557 1.00 0.00 H new ATOM 674 N GLY A1111 9.039 0.303 -12.299 1.00 0.00 N ATOM 675 CA GLY A1111 9.902 -0.094 -13.391 1.00 0.00 C ATOM 676 C GLY A1111 11.315 0.427 -13.222 1.00 0.00 C ATOM 677 O GLY A1111 12.272 -0.195 -13.683 1.00 0.00 O ATOM 0 H GLY A1111 9.093 -0.296 -11.475 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.923 -1.182 -13.458 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.490 0.275 -14.330 1.00 0.00 H new ATOM 681 N GLN A1112 11.453 1.559 -12.550 1.00 0.00 N ATOM 682 CA GLN A1112 12.764 2.118 -12.258 1.00 0.00 C ATOM 683 C GLN A1112 12.830 2.519 -10.787 1.00 0.00 C ATOM 684 O GLN A1112 12.719 3.696 -10.443 1.00 0.00 O ATOM 685 CB GLN A1112 13.060 3.316 -13.168 1.00 0.00 C ATOM 686 CG GLN A1112 14.484 3.844 -13.052 1.00 0.00 C ATOM 687 CD GLN A1112 15.527 2.776 -13.319 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.940 2.085 -12.272 1.00 0.00 O flip ATOM 689 NE2 GLN A1112 15.960 2.580 -14.454 1.00 0.00 N flip ATOM 0 H GLN A1112 10.671 2.110 -12.196 1.00 0.00 H new ATOM 0 HA GLN A1112 13.525 1.362 -12.452 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.873 3.028 -14.203 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.364 4.121 -12.930 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.621 4.665 -13.756 1.00 0.00 H new ATOM 0 HG3 GLN A1112 14.636 4.253 -12.053 1.00 0.00 H new ATOM 0 HE21 GLN A1112 15.613 3.137 -15.235 1.00 0.00 H new ATOM 0 HE22 GLN A1112 16.665 1.861 -14.614 1.00 0.00 H new ATOM 698 N PRO A1113 13.033 1.533 -9.901 1.00 0.00 N ATOM 699 CA PRO A1113 12.954 1.729 -8.447 1.00 0.00 C ATOM 700 C PRO A1113 14.077 2.603 -7.900 1.00 0.00 C ATOM 701 O PRO A1113 14.032 3.029 -6.752 1.00 0.00 O ATOM 702 CB PRO A1113 13.060 0.307 -7.878 1.00 0.00 C ATOM 703 CG PRO A1113 12.847 -0.601 -9.041 1.00 0.00 C ATOM 704 CD PRO A1113 13.355 0.142 -10.238 1.00 0.00 C ATOM 0 HA PRO A1113 12.037 2.248 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A1113 14.035 0.138 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.312 0.137 -7.104 1.00 0.00 H new ATOM 0 HG2 PRO A1113 13.384 -1.540 -8.907 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.792 -0.850 -9.154 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.425 -0.004 -10.383 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.862 -0.179 -11.156 1.00 0.00 H new ATOM 712 N GLU A1114 15.085 2.864 -8.721 1.00 0.00 N ATOM 713 CA GLU A1114 16.176 3.748 -8.326 1.00 0.00 C ATOM 714 C GLU A1114 15.729 5.201 -8.424 1.00 0.00 C ATOM 715 O GLU A1114 16.310 6.095 -7.806 1.00 0.00 O ATOM 716 CB GLU A1114 17.402 3.527 -9.214 1.00 0.00 C ATOM 717 CG GLU A1114 17.895 2.091 -9.242 1.00 0.00 C ATOM 718 CD GLU A1114 18.253 1.561 -7.869 1.00 0.00 C ATOM 719 OE1 GLU A1114 19.276 2.001 -7.302 1.00 0.00 O ATOM 720 OE2 GLU A1114 17.515 0.693 -7.354 1.00 0.00 O ATOM 0 H GLU A1114 15.171 2.479 -9.661 1.00 0.00 H new ATOM 0 HA GLU A1114 16.446 3.519 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.162 3.838 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.210 4.171 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A1114 17.125 1.457 -9.681 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.769 2.025 -9.890 1.00 0.00 H new ATOM 727 N ARG A1115 14.685 5.424 -9.208 1.00 0.00 N ATOM 728 CA ARG A1115 14.119 6.750 -9.375 1.00 0.00 C ATOM 729 C ARG A1115 13.095 7.031 -8.290 1.00 0.00 C ATOM 730 O ARG A1115 11.905 6.792 -8.473 1.00 0.00 O ATOM 731 CB ARG A1115 13.471 6.888 -10.756 1.00 0.00 C ATOM 732 CG ARG A1115 14.428 7.383 -11.820 1.00 0.00 C ATOM 733 CD ARG A1115 14.918 8.778 -11.484 1.00 0.00 C ATOM 734 NE ARG A1115 15.850 9.296 -12.480 1.00 0.00 N ATOM 735 CZ ARG A1115 16.825 10.163 -12.212 1.00 0.00 C ATOM 736 NH1 ARG A1115 17.021 10.592 -10.969 1.00 0.00 N ATOM 737 NH2 ARG A1115 17.612 10.586 -13.192 1.00 0.00 N ATOM 0 H ARG A1115 14.211 4.696 -9.742 1.00 0.00 H new ATOM 0 HA ARG A1115 14.926 7.478 -9.293 1.00 0.00 H new ATOM 0 HB2 ARG A1115 13.070 5.921 -11.060 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.628 7.576 -10.687 1.00 0.00 H new ATOM 0 HG2 ARG A1115 15.276 6.703 -11.900 1.00 0.00 H new ATOM 0 HG3 ARG A1115 13.931 7.389 -12.790 1.00 0.00 H new ATOM 0 HD2 ARG A1115 14.064 9.451 -11.405 1.00 0.00 H new ATOM 0 HD3 ARG A1115 15.404 8.764 -10.508 1.00 0.00 H new ATOM 0 HE ARG A1115 15.748 8.974 -13.442 1.00 0.00 H new ATOM 0 HH11 ARG A1115 16.423 10.257 -10.214 1.00 0.00 H new ATOM 0 HH12 ARG A1115 17.769 11.256 -10.771 1.00 0.00 H new ATOM 0 HH21 ARG A1115 17.469 10.247 -14.143 1.00 0.00 H new ATOM 0 HH22 ARG A1115 18.361 11.250 -12.994 1.00 0.00 H new ATOM 751 N LYS A1116 13.560 7.530 -7.158 1.00 0.00 N ATOM 752 CA LYS A1116 12.671 7.830 -6.048 1.00 0.00 C ATOM 753 C LYS A1116 12.849 9.267 -5.602 1.00 0.00 C ATOM 754 O LYS A1116 13.766 9.959 -6.054 1.00 0.00 O ATOM 755 CB LYS A1116 12.940 6.906 -4.864 1.00 0.00 C ATOM 756 CG LYS A1116 13.353 5.508 -5.267 1.00 0.00 C ATOM 757 CD LYS A1116 13.403 4.565 -4.076 1.00 0.00 C ATOM 758 CE LYS A1116 14.372 5.049 -3.008 1.00 0.00 C ATOM 759 NZ LYS A1116 15.753 5.254 -3.528 1.00 0.00 N ATOM 0 H LYS A1116 14.544 7.735 -6.983 1.00 0.00 H new ATOM 0 HA LYS A1116 11.649 7.676 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.723 7.342 -4.244 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.042 6.847 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.652 5.122 -6.007 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.333 5.542 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.406 4.471 -3.646 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.700 3.572 -4.412 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.004 5.986 -2.589 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.399 4.324 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 16.394 5.468 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 16.074 4.390 -4.010 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 15.757 6.047 -4.201 1.00 0.00 H new ATOM 773 N GLY A1117 11.979 9.705 -4.711 1.00 0.00 N ATOM 774 CA GLY A1117 12.082 11.036 -4.173 1.00 0.00 C ATOM 775 C GLY A1117 10.722 11.635 -3.928 1.00 0.00 C ATOM 776 O GLY A1117 9.721 10.913 -3.910 1.00 0.00 O ATOM 0 H GLY A1117 11.199 9.156 -4.350 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.644 11.010 -3.239 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.641 11.667 -4.864 1.00 0.00 H new ATOM 780 N VAL A1118 10.673 12.943 -3.741 1.00 0.00 N ATOM 781 CA VAL A1118 9.405 13.623 -3.556 1.00 0.00 C ATOM 782 C VAL A1118 8.814 14.035 -4.893 1.00 0.00 C ATOM 783 O VAL A1118 9.530 14.442 -5.809 1.00 0.00 O ATOM 784 CB VAL A1118 9.514 14.855 -2.631 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.823 14.418 -1.217 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.571 15.834 -3.115 1.00 0.00 C ATOM 0 H VAL A1118 11.492 13.551 -3.714 1.00 0.00 H new ATOM 0 HA VAL A1118 8.743 12.907 -3.069 1.00 0.00 H new ATOM 0 HB VAL A1118 8.553 15.368 -2.652 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.898 15.295 -0.573 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.026 13.769 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.768 13.875 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.616 16.686 -2.437 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.542 15.339 -3.140 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.315 16.180 -4.116 1.00 0.00 H new ATOM 796 N PHE A1119 7.508 13.897 -4.998 1.00 0.00 N ATOM 797 CA PHE A1119 6.793 14.251 -6.206 1.00 0.00 C ATOM 798 C PHE A1119 5.498 14.962 -5.855 1.00 0.00 C ATOM 799 O PHE A1119 4.824 14.608 -4.880 1.00 0.00 O ATOM 800 CB PHE A1119 6.522 13.004 -7.060 1.00 0.00 C ATOM 801 CG PHE A1119 5.794 11.892 -6.351 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.475 11.027 -5.510 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.435 11.696 -6.545 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.817 9.995 -4.876 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.773 10.659 -5.914 1.00 0.00 C ATOM 806 CZ PHE A1119 4.469 9.809 -5.078 1.00 0.00 C ATOM 0 H PHE A1119 6.914 13.537 -4.251 1.00 0.00 H new ATOM 0 HA PHE A1119 7.411 14.930 -6.794 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.940 13.300 -7.933 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.474 12.619 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.534 11.163 -5.349 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.887 12.361 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.360 9.331 -4.220 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.715 10.514 -6.075 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.955 8.998 -4.583 1.00 0.00 H new ATOM 816 N PRO A1120 5.157 16.004 -6.621 1.00 0.00 N ATOM 817 CA PRO A1120 3.938 16.773 -6.404 1.00 0.00 C ATOM 818 C PRO A1120 2.684 15.953 -6.703 1.00 0.00 C ATOM 819 O PRO A1120 2.452 15.528 -7.836 1.00 0.00 O ATOM 820 CB PRO A1120 4.068 17.946 -7.376 1.00 0.00 C ATOM 821 CG PRO A1120 5.008 17.474 -8.431 1.00 0.00 C ATOM 822 CD PRO A1120 5.947 16.517 -7.755 1.00 0.00 C ATOM 0 HA PRO A1120 3.831 17.088 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.101 18.215 -7.801 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.453 18.833 -6.874 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.469 16.984 -9.242 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.553 18.310 -8.870 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.254 15.715 -8.426 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.855 17.016 -7.418 1.00 0.00 H new ATOM 830 N VAL A1121 1.877 15.750 -5.673 1.00 0.00 N ATOM 831 CA VAL A1121 0.672 14.933 -5.760 1.00 0.00 C ATOM 832 C VAL A1121 -0.346 15.556 -6.708 1.00 0.00 C ATOM 833 O VAL A1121 -1.149 14.860 -7.330 1.00 0.00 O ATOM 834 CB VAL A1121 0.041 14.767 -4.366 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.129 13.801 -4.396 1.00 0.00 C ATOM 836 CG2 VAL A1121 1.090 14.304 -3.380 1.00 0.00 C ATOM 0 H VAL A1121 2.039 16.148 -4.748 1.00 0.00 H new ATOM 0 HA VAL A1121 0.958 13.956 -6.150 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.345 15.736 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.550 13.708 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -1.893 14.176 -5.077 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.786 12.824 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.638 14.188 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.499 13.348 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.891 15.042 -3.327 1.00 0.00 H new ATOM 846 N SER A1122 -0.293 16.872 -6.829 1.00 0.00 N ATOM 847 CA SER A1122 -1.183 17.596 -7.720 1.00 0.00 C ATOM 848 C SER A1122 -0.898 17.235 -9.184 1.00 0.00 C ATOM 849 O SER A1122 -1.697 17.527 -10.075 1.00 0.00 O ATOM 850 CB SER A1122 -1.004 19.100 -7.500 1.00 0.00 C ATOM 851 OG SER A1122 -1.030 19.419 -6.116 1.00 0.00 O ATOM 0 H SER A1122 0.362 17.464 -6.317 1.00 0.00 H new ATOM 0 HA SER A1122 -2.213 17.316 -7.498 1.00 0.00 H new ATOM 0 HB2 SER A1122 -0.058 19.425 -7.934 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.795 19.643 -8.017 1.00 0.00 H new ATOM 0 HG SER A1122 -0.912 20.385 -6.001 1.00 0.00 H new ATOM 857 N PHE A1123 0.237 16.584 -9.418 1.00 0.00 N ATOM 858 CA PHE A1123 0.673 16.246 -10.768 1.00 0.00 C ATOM 859 C PHE A1123 0.416 14.778 -11.093 1.00 0.00 C ATOM 860 O PHE A1123 0.748 14.310 -12.184 1.00 0.00 O ATOM 861 CB PHE A1123 2.165 16.546 -10.933 1.00 0.00 C ATOM 862 CG PHE A1123 2.489 18.008 -11.087 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.061 18.939 -10.153 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.227 18.447 -12.171 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.362 20.278 -10.303 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.529 19.782 -12.326 1.00 0.00 C ATOM 867 CZ PHE A1123 3.096 20.700 -11.391 1.00 0.00 C ATOM 0 H PHE A1123 0.876 16.278 -8.684 1.00 0.00 H new ATOM 0 HA PHE A1123 0.093 16.857 -11.460 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.700 16.156 -10.067 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.537 16.009 -11.806 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.486 18.613 -9.299 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.571 17.734 -12.906 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.023 20.994 -9.569 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.104 20.110 -13.179 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.332 21.747 -11.511 1.00 0.00 H new ATOM 877 N VAL A1124 -0.177 14.048 -10.158 1.00 0.00 N ATOM 878 CA VAL A1124 -0.396 12.620 -10.345 1.00 0.00 C ATOM 879 C VAL A1124 -1.868 12.257 -10.174 1.00 0.00 C ATOM 880 O VAL A1124 -2.624 12.978 -9.520 1.00 0.00 O ATOM 881 CB VAL A1124 0.458 11.781 -9.368 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.939 12.067 -9.563 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.050 12.031 -7.921 1.00 0.00 C ATOM 0 H VAL A1124 -0.513 14.417 -9.269 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.090 12.387 -11.365 1.00 0.00 H new ATOM 0 HB VAL A1124 0.278 10.729 -9.590 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.521 11.465 -8.865 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.226 11.817 -10.584 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.133 13.124 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.669 11.426 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.186 13.086 -7.682 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.997 11.760 -7.786 1.00 0.00 H new ATOM 893 N HIS A1125 -2.274 11.145 -10.779 1.00 0.00 N ATOM 894 CA HIS A1125 -3.644 10.665 -10.671 1.00 0.00 C ATOM 895 C HIS A1125 -3.646 9.347 -9.908 1.00 0.00 C ATOM 896 O HIS A1125 -3.235 8.320 -10.437 1.00 0.00 O ATOM 897 CB HIS A1125 -4.237 10.473 -12.071 1.00 0.00 C ATOM 898 CG HIS A1125 -5.696 10.792 -12.171 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.199 11.741 -13.036 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.763 10.279 -11.518 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.509 11.799 -12.906 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.881 10.922 -11.993 1.00 0.00 N ATOM 0 H HIS A1125 -1.668 10.558 -11.352 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.253 11.393 -10.135 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.691 11.102 -12.774 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -4.081 9.440 -12.380 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.741 9.507 -10.763 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.168 12.455 -13.455 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.840 10.750 -11.690 1.00 0.00 H new ATOM 911 N ILE A1126 -4.087 9.385 -8.664 1.00 0.00 N ATOM 912 CA ILE A1126 -3.967 8.240 -7.768 1.00 0.00 C ATOM 913 C ILE A1126 -4.848 7.078 -8.212 1.00 0.00 C ATOM 914 O ILE A1126 -6.000 7.265 -8.601 1.00 0.00 O ATOM 915 CB ILE A1126 -4.328 8.634 -6.325 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.512 9.858 -5.911 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.085 7.471 -5.371 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.787 10.322 -4.505 1.00 0.00 C ATOM 0 H ILE A1126 -4.535 10.200 -8.245 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.927 7.916 -7.806 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.388 8.883 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.451 9.626 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.723 10.675 -6.601 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.347 7.772 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.701 6.622 -5.668 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.033 7.186 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.172 11.194 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.840 10.587 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.549 9.522 -3.805 1.00 0.00 H new ATOM 930 N LEU A1127 -4.284 5.880 -8.149 1.00 0.00 N ATOM 931 CA LEU A1127 -4.988 4.672 -8.539 1.00 0.00 C ATOM 932 C LEU A1127 -5.763 4.124 -7.355 1.00 0.00 C ATOM 933 O LEU A1127 -5.179 3.561 -6.434 1.00 0.00 O ATOM 934 CB LEU A1127 -4.006 3.602 -9.025 1.00 0.00 C ATOM 935 CG LEU A1127 -2.897 4.095 -9.952 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.057 2.930 -10.445 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.476 4.867 -11.127 1.00 0.00 C ATOM 0 H LEU A1127 -3.329 5.721 -7.827 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.671 4.924 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.546 3.135 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.569 2.826 -9.543 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.256 4.769 -9.384 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.272 3.301 -11.104 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.605 2.421 -9.593 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.690 2.231 -10.992 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.667 5.208 -11.773 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.144 4.219 -11.694 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.033 5.728 -10.758 1.00 0.00 H new ATOM 949 N SER A1128 -7.071 4.286 -7.379 1.00 0.00 N ATOM 950 CA SER A1128 -7.926 3.740 -6.340 1.00 0.00 C ATOM 951 C SER A1128 -8.318 2.303 -6.684 1.00 0.00 C ATOM 952 O SER A1128 -9.352 1.796 -6.247 1.00 0.00 O ATOM 953 CB SER A1128 -9.160 4.628 -6.172 1.00 0.00 C ATOM 954 OG SER A1128 -9.726 4.957 -7.430 1.00 0.00 O ATOM 0 H SER A1128 -7.569 4.794 -8.110 1.00 0.00 H new ATOM 0 HA SER A1128 -7.386 3.721 -5.394 1.00 0.00 H new ATOM 0 HB2 SER A1128 -9.901 4.115 -5.559 1.00 0.00 H new ATOM 0 HB3 SER A1128 -8.886 5.541 -5.643 1.00 0.00 H new ATOM 0 HG SER A1128 -10.514 5.524 -7.296 1.00 0.00 H new ATOM 960 N ASP A1129 -7.473 1.662 -7.483 1.00 0.00 N ATOM 961 CA ASP A1129 -7.689 0.288 -7.909 1.00 0.00 C ATOM 962 C ASP A1129 -6.459 -0.548 -7.583 1.00 0.00 C ATOM 963 O ASP A1129 -6.271 -0.896 -6.402 1.00 0.00 O ATOM 964 CB ASP A1129 -7.972 0.228 -9.416 1.00 0.00 C ATOM 965 CG ASP A1129 -9.273 0.902 -9.805 1.00 0.00 C ATOM 966 OD1 ASP A1129 -9.286 2.142 -9.973 1.00 0.00 O ATOM 967 OD2 ASP A1129 -10.295 0.198 -9.952 1.00 0.00 O ATOM 968 OXT ASP A1129 -5.666 -0.836 -8.501 1.00 0.00 O ATOM 0 H ASP A1129 -6.620 2.081 -7.853 1.00 0.00 H new ATOM 0 HA ASP A1129 -8.553 -0.111 -7.377 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -7.150 0.701 -9.953 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -8.001 -0.815 -9.733 1.00 0.00 H new TER 973 ASP A1129