USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 453 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+ -163:sc= -0.123 (180deg=-0.467) USER MOD Single : A1074 THR OG1 : rot 146:sc= 2.4 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= 0.731 K(o=0.73,f=-0.44) USER MOD Single : A1082 ASN : amide:sc= 1.2 K(o=1.2,f=-0.0043) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.66! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A1108 HIS : no HD1:sc= -5.96! C(o=-6!,f=-6.4!) USER MOD Single : A1112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1116 LYS NZ :NH3+ -148:sc= 0.983 (180deg=-0.108) USER MOD Single : A1122 SER OG : rot -35:sc= 0.466 USER MOD Single : A1125 HIS : no HD1:sc= -0.575 K(o=-0.58,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 -0.760 1.682 -2.964 1.00 0.00 N ATOM 20 CA ARG A1070 -0.898 3.120 -3.135 1.00 0.00 C ATOM 21 C ARG A1070 0.035 3.604 -4.237 1.00 0.00 C ATOM 22 O ARG A1070 1.238 3.741 -4.022 1.00 0.00 O ATOM 23 CB ARG A1070 -0.570 3.819 -1.812 1.00 0.00 C ATOM 24 CG ARG A1070 -0.744 5.328 -1.827 1.00 0.00 C ATOM 25 CD ARG A1070 -2.185 5.725 -2.079 1.00 0.00 C ATOM 26 NE ARG A1070 -2.637 6.762 -1.154 1.00 0.00 N ATOM 27 CZ ARG A1070 -3.889 7.203 -1.088 1.00 0.00 C ATOM 28 NH1 ARG A1070 -4.822 6.695 -1.889 1.00 0.00 N ATOM 29 NH2 ARG A1070 -4.210 8.144 -0.211 1.00 0.00 N ATOM 0 HA ARG A1070 -1.922 3.358 -3.421 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.205 3.402 -1.030 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.461 3.589 -1.542 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -0.414 5.742 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -0.107 5.760 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -2.289 6.083 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.825 4.848 -1.981 1.00 0.00 H new ATOM 0 HE ARG A1070 -1.950 7.172 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -4.578 5.964 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -5.782 7.036 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.497 8.527 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -5.170 8.485 -0.157 1.00 0.00 H new ATOM 43 N ARG A1071 -0.509 3.845 -5.422 1.00 0.00 N ATOM 44 CA ARG A1071 0.298 4.293 -6.537 1.00 0.00 C ATOM 45 C ARG A1071 -0.292 5.564 -7.111 1.00 0.00 C ATOM 46 O ARG A1071 -1.357 5.998 -6.691 1.00 0.00 O ATOM 47 CB ARG A1071 0.379 3.208 -7.614 1.00 0.00 C ATOM 48 CG ARG A1071 0.989 1.905 -7.119 1.00 0.00 C ATOM 49 CD ARG A1071 1.231 0.924 -8.255 1.00 0.00 C ATOM 50 NE ARG A1071 0.001 0.602 -8.974 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.032 0.114 -10.212 1.00 0.00 C ATOM 52 NH1 ARG A1071 1.094 -0.213 -10.836 1.00 0.00 N ATOM 53 NH2 ARG A1071 -1.193 -0.085 -10.809 1.00 0.00 N ATOM 0 H ARG A1071 -1.502 3.737 -5.631 1.00 0.00 H new ATOM 0 HA ARG A1071 1.309 4.495 -6.184 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.623 3.009 -7.994 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.969 3.581 -8.451 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.932 2.115 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.326 1.451 -6.382 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.957 1.347 -8.950 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.668 0.008 -7.856 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.887 0.761 -8.498 1.00 0.00 H new ATOM 0 HH11 ARG A1071 1.991 -0.091 -10.367 1.00 0.00 H new ATOM 0 HH12 ARG A1071 1.061 -0.586 -11.785 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.061 0.135 -10.322 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -1.221 -0.459 -11.758 1.00 0.00 H new ATOM 67 N VAL A1072 0.415 6.166 -8.046 1.00 0.00 N ATOM 68 CA VAL A1072 -0.052 7.365 -8.714 1.00 0.00 C ATOM 69 C VAL A1072 0.329 7.316 -10.195 1.00 0.00 C ATOM 70 O VAL A1072 1.357 6.741 -10.561 1.00 0.00 O ATOM 71 CB VAL A1072 0.532 8.648 -8.081 1.00 0.00 C ATOM 72 CG1 VAL A1072 0.067 8.814 -6.643 1.00 0.00 C ATOM 73 CG2 VAL A1072 2.046 8.642 -8.147 1.00 0.00 C ATOM 0 H VAL A1072 1.327 5.839 -8.364 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.136 7.398 -8.603 1.00 0.00 H new ATOM 0 HB VAL A1072 0.163 9.496 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.495 9.725 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.021 8.879 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.393 7.957 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.434 9.555 -7.695 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.430 7.778 -7.605 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.365 8.589 -9.188 1.00 0.00 H new ATOM 83 N LYS A1073 -0.508 7.901 -11.032 1.00 0.00 N ATOM 84 CA LYS A1073 -0.276 7.959 -12.465 1.00 0.00 C ATOM 85 C LYS A1073 -0.034 9.396 -12.875 1.00 0.00 C ATOM 86 O LYS A1073 -0.965 10.194 -12.931 1.00 0.00 O ATOM 87 CB LYS A1073 -1.488 7.410 -13.218 1.00 0.00 C ATOM 88 CG LYS A1073 -1.265 7.269 -14.706 1.00 0.00 C ATOM 89 CD LYS A1073 -0.116 6.328 -14.977 1.00 0.00 C ATOM 90 CE LYS A1073 0.059 6.072 -16.462 1.00 0.00 C ATOM 91 NZ LYS A1073 -1.183 5.549 -17.091 1.00 0.00 N ATOM 0 H LYS A1073 -1.373 8.352 -10.736 1.00 0.00 H new ATOM 0 HA LYS A1073 0.596 7.353 -12.710 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.751 6.436 -12.805 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.340 8.069 -13.048 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.171 6.894 -15.182 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.055 8.245 -15.143 1.00 0.00 H new ATOM 0 HD2 LYS A1073 0.803 6.749 -14.569 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.290 5.383 -14.462 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.353 6.998 -16.957 1.00 0.00 H new ATOM 0 HE3 LYS A1073 0.869 5.359 -16.613 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -0.953 5.122 -18.011 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.609 4.830 -16.472 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -1.857 6.329 -17.230 1.00 0.00 H new ATOM 105 N THR A1074 1.212 9.723 -13.138 1.00 0.00 N ATOM 106 CA THR A1074 1.597 11.090 -13.458 1.00 0.00 C ATOM 107 C THR A1074 0.781 11.645 -14.625 1.00 0.00 C ATOM 108 O THR A1074 0.744 11.063 -15.708 1.00 0.00 O ATOM 109 CB THR A1074 3.094 11.166 -13.793 1.00 0.00 C ATOM 110 OG1 THR A1074 3.374 10.400 -14.963 1.00 0.00 O ATOM 111 CG2 THR A1074 3.924 10.635 -12.637 1.00 0.00 C ATOM 0 H THR A1074 1.986 9.058 -13.138 1.00 0.00 H new ATOM 0 HA THR A1074 1.393 11.699 -12.577 1.00 0.00 H new ATOM 0 HB THR A1074 3.353 12.210 -13.970 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.086 10.835 -15.476 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.982 10.696 -12.891 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.730 11.231 -11.746 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.656 9.596 -12.444 1.00 0.00 H new ATOM 119 N ILE A1075 0.111 12.761 -14.386 1.00 0.00 N ATOM 120 CA ILE A1075 -0.708 13.393 -15.413 1.00 0.00 C ATOM 121 C ILE A1075 -0.050 14.670 -15.916 1.00 0.00 C ATOM 122 O ILE A1075 -0.545 15.315 -16.840 1.00 0.00 O ATOM 123 CB ILE A1075 -2.132 13.702 -14.897 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.071 14.353 -13.512 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.973 12.435 -14.864 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.427 14.635 -12.902 1.00 0.00 C ATOM 0 H ILE A1075 0.117 13.249 -13.491 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.793 12.687 -16.239 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.604 14.406 -15.582 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.511 13.702 -12.841 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.516 15.288 -13.586 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.972 12.671 -14.498 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.043 12.019 -15.869 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.507 11.706 -14.201 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.297 15.096 -11.923 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -3.984 15.312 -13.550 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -3.978 13.701 -12.793 1.00 0.00 H new ATOM 138 N TYR A1076 1.074 15.021 -15.308 1.00 0.00 N ATOM 139 CA TYR A1076 1.830 16.200 -15.704 1.00 0.00 C ATOM 140 C TYR A1076 3.321 15.889 -15.763 1.00 0.00 C ATOM 141 O TYR A1076 3.810 14.997 -15.067 1.00 0.00 O ATOM 142 CB TYR A1076 1.591 17.349 -14.722 1.00 0.00 C ATOM 143 CG TYR A1076 0.201 17.937 -14.781 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.152 18.826 -15.787 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.753 17.616 -13.827 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.415 19.376 -15.840 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.020 18.160 -13.873 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.346 19.041 -14.882 1.00 0.00 C ATOM 149 OH TYR A1076 -3.605 19.595 -14.929 1.00 0.00 O ATOM 0 H TYR A1076 1.485 14.501 -14.532 1.00 0.00 H new ATOM 0 HA TYR A1076 1.487 16.498 -16.695 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.779 16.991 -13.710 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.316 18.138 -14.921 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.575 19.091 -16.541 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.500 16.928 -13.034 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.673 20.067 -16.629 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.752 17.897 -13.123 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.140 19.254 -14.182 1.00 0.00 H new ATOM 159 N ASP A1077 4.025 16.618 -16.619 1.00 0.00 N ATOM 160 CA ASP A1077 5.476 16.516 -16.722 1.00 0.00 C ATOM 161 C ASP A1077 6.150 17.224 -15.552 1.00 0.00 C ATOM 162 O ASP A1077 5.927 18.414 -15.320 1.00 0.00 O ATOM 163 CB ASP A1077 5.948 17.130 -18.044 1.00 0.00 C ATOM 164 CG ASP A1077 7.459 17.209 -18.160 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.098 16.166 -18.405 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.011 18.323 -18.028 1.00 0.00 O ATOM 0 H ASP A1077 3.609 17.294 -17.259 1.00 0.00 H new ATOM 0 HA ASP A1077 5.752 15.462 -16.694 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.557 16.539 -18.872 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.530 18.132 -18.142 1.00 0.00 H new ATOM 171 N CYS A1078 6.972 16.492 -14.816 1.00 0.00 N ATOM 172 CA CYS A1078 7.686 17.057 -13.684 1.00 0.00 C ATOM 173 C CYS A1078 9.180 16.819 -13.834 1.00 0.00 C ATOM 174 O CYS A1078 9.673 15.709 -13.615 1.00 0.00 O ATOM 175 CB CYS A1078 7.193 16.461 -12.372 1.00 0.00 C ATOM 176 SG CYS A1078 8.047 17.076 -10.901 1.00 0.00 S ATOM 0 H CYS A1078 7.161 15.504 -14.984 1.00 0.00 H new ATOM 0 HA CYS A1078 7.494 18.130 -13.665 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.128 16.668 -12.271 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.305 15.378 -12.415 1.00 0.00 H new ATOM 0 HG CYS A1078 7.551 16.508 -9.842 1.00 0.00 H new ATOM 182 N GLN A1079 9.894 17.859 -14.218 1.00 0.00 N ATOM 183 CA GLN A1079 11.330 17.776 -14.384 1.00 0.00 C ATOM 184 C GLN A1079 12.020 18.268 -13.125 1.00 0.00 C ATOM 185 O GLN A1079 12.199 19.468 -12.925 1.00 0.00 O ATOM 186 CB GLN A1079 11.767 18.590 -15.596 1.00 0.00 C ATOM 187 CG GLN A1079 11.104 18.130 -16.883 1.00 0.00 C ATOM 188 CD GLN A1079 11.503 18.960 -18.081 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.615 19.486 -18.149 1.00 0.00 O ATOM 190 NE2 GLN A1079 10.593 19.095 -19.028 1.00 0.00 N ATOM 0 H GLN A1079 9.499 18.777 -14.422 1.00 0.00 H new ATOM 0 HA GLN A1079 11.614 16.737 -14.553 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.532 19.641 -15.427 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.849 18.519 -15.705 1.00 0.00 H new ATOM 0 HG2 GLN A1079 11.364 17.088 -17.067 1.00 0.00 H new ATOM 0 HG3 GLN A1079 10.021 18.172 -16.763 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.684 18.642 -18.931 1.00 0.00 H new ATOM 0 HE22 GLN A1079 10.799 19.653 -19.857 1.00 0.00 H new ATOM 199 N ALA A1080 12.360 17.322 -12.266 1.00 0.00 N ATOM 200 CA ALA A1080 13.027 17.614 -11.009 1.00 0.00 C ATOM 201 C ALA A1080 14.365 18.302 -11.240 1.00 0.00 C ATOM 202 O ALA A1080 15.174 17.858 -12.057 1.00 0.00 O ATOM 203 CB ALA A1080 13.237 16.331 -10.230 1.00 0.00 C ATOM 0 H ALA A1080 12.181 16.330 -12.421 1.00 0.00 H new ATOM 0 HA ALA A1080 12.392 18.291 -10.437 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.738 16.555 -9.288 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.272 15.867 -10.027 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.853 15.647 -10.814 1.00 0.00 H new ATOM 209 N ASP A1081 14.581 19.397 -10.530 1.00 0.00 N ATOM 210 CA ASP A1081 15.859 20.089 -10.575 1.00 0.00 C ATOM 211 C ASP A1081 16.828 19.433 -9.605 1.00 0.00 C ATOM 212 O ASP A1081 18.040 19.436 -9.818 1.00 0.00 O ATOM 213 CB ASP A1081 15.685 21.569 -10.230 1.00 0.00 C ATOM 214 CG ASP A1081 16.983 22.342 -10.336 1.00 0.00 C ATOM 215 OD1 ASP A1081 17.415 22.630 -11.472 1.00 0.00 O ATOM 216 OD2 ASP A1081 17.575 22.671 -9.288 1.00 0.00 O ATOM 0 H ASP A1081 13.889 19.826 -9.916 1.00 0.00 H new ATOM 0 HA ASP A1081 16.260 20.021 -11.586 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.946 22.011 -10.899 1.00 0.00 H new ATOM 0 HB3 ASP A1081 15.293 21.660 -9.217 1.00 0.00 H new ATOM 221 N ASN A1082 16.279 18.860 -8.546 1.00 0.00 N ATOM 222 CA ASN A1082 17.073 18.166 -7.541 1.00 0.00 C ATOM 223 C ASN A1082 16.865 16.664 -7.659 1.00 0.00 C ATOM 224 O ASN A1082 15.789 16.213 -8.041 1.00 0.00 O ATOM 225 CB ASN A1082 16.662 18.614 -6.133 1.00 0.00 C ATOM 226 CG ASN A1082 16.842 20.100 -5.896 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.901 20.544 -5.448 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.805 20.875 -6.171 1.00 0.00 N ATOM 0 H ASN A1082 15.276 18.862 -8.358 1.00 0.00 H new ATOM 0 HA ASN A1082 18.123 18.408 -7.707 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.617 18.351 -5.967 1.00 0.00 H new ATOM 0 HB3 ASN A1082 17.250 18.063 -5.399 1.00 0.00 H new ATOM 0 HD21 ASN A1082 15.864 21.881 -6.013 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.947 20.466 -6.541 1.00 0.00 H new ATOM 235 N ASP A1083 17.896 15.892 -7.318 1.00 0.00 N ATOM 236 CA ASP A1083 17.792 14.431 -7.296 1.00 0.00 C ATOM 237 C ASP A1083 17.000 13.981 -6.078 1.00 0.00 C ATOM 238 O ASP A1083 16.682 12.802 -5.924 1.00 0.00 O ATOM 239 CB ASP A1083 19.176 13.772 -7.275 1.00 0.00 C ATOM 240 CG ASP A1083 19.887 13.834 -8.612 1.00 0.00 C ATOM 241 OD1 ASP A1083 19.723 12.901 -9.424 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.637 14.805 -8.847 1.00 0.00 O ATOM 0 H ASP A1083 18.813 16.252 -7.053 1.00 0.00 H new ATOM 0 HA ASP A1083 17.277 14.122 -8.205 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.792 14.260 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.070 12.729 -6.975 1.00 0.00 H new ATOM 247 N ASP A1084 16.708 14.935 -5.202 1.00 0.00 N ATOM 248 CA ASP A1084 15.860 14.694 -4.042 1.00 0.00 C ATOM 249 C ASP A1084 14.407 14.633 -4.488 1.00 0.00 C ATOM 250 O ASP A1084 13.548 14.052 -3.820 1.00 0.00 O ATOM 251 CB ASP A1084 16.049 15.813 -3.021 1.00 0.00 C ATOM 252 CG ASP A1084 15.325 15.553 -1.719 1.00 0.00 C ATOM 253 OD1 ASP A1084 15.673 14.573 -1.028 1.00 0.00 O ATOM 254 OD2 ASP A1084 14.419 16.339 -1.369 1.00 0.00 O ATOM 0 H ASP A1084 17.051 15.893 -5.275 1.00 0.00 H new ATOM 0 HA ASP A1084 16.135 13.747 -3.578 1.00 0.00 H new ATOM 0 HB2 ASP A1084 17.113 15.938 -2.820 1.00 0.00 H new ATOM 0 HB3 ASP A1084 15.693 16.751 -3.448 1.00 0.00 H new ATOM 259 N GLU A1085 14.155 15.236 -5.639 1.00 0.00 N ATOM 260 CA GLU A1085 12.842 15.244 -6.248 1.00 0.00 C ATOM 261 C GLU A1085 12.823 14.224 -7.373 1.00 0.00 C ATOM 262 O GLU A1085 13.865 13.918 -7.954 1.00 0.00 O ATOM 263 CB GLU A1085 12.536 16.640 -6.792 1.00 0.00 C ATOM 264 CG GLU A1085 12.689 17.730 -5.750 1.00 0.00 C ATOM 265 CD GLU A1085 12.712 19.122 -6.348 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.641 19.425 -7.133 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.811 19.924 -6.032 1.00 0.00 O ATOM 0 H GLU A1085 14.863 15.736 -6.177 1.00 0.00 H new ATOM 0 HA GLU A1085 12.083 14.986 -5.509 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.200 16.851 -7.630 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.518 16.657 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.868 17.661 -5.036 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.611 17.565 -5.192 1.00 0.00 H new ATOM 274 N LEU A1086 11.659 13.690 -7.682 1.00 0.00 N ATOM 275 CA LEU A1086 11.577 12.685 -8.727 1.00 0.00 C ATOM 276 C LEU A1086 11.312 13.318 -10.084 1.00 0.00 C ATOM 277 O LEU A1086 10.520 14.254 -10.212 1.00 0.00 O ATOM 278 CB LEU A1086 10.502 11.641 -8.432 1.00 0.00 C ATOM 279 CG LEU A1086 10.363 10.571 -9.521 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.673 9.826 -9.717 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.256 9.597 -9.188 1.00 0.00 C ATOM 0 H LEU A1086 10.773 13.927 -7.236 1.00 0.00 H new ATOM 0 HA LEU A1086 12.545 12.185 -8.751 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.732 11.154 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.544 12.145 -8.307 1.00 0.00 H new ATOM 0 HG LEU A1086 10.107 11.078 -10.452 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.550 9.072 -10.494 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.451 10.530 -10.014 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.959 9.341 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.180 8.849 -9.977 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.478 9.104 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.311 10.134 -9.105 1.00 0.00 H new ATOM 293 N THR A1087 11.979 12.787 -11.094 1.00 0.00 N ATOM 294 CA THR A1087 11.782 13.227 -12.457 1.00 0.00 C ATOM 295 C THR A1087 10.880 12.236 -13.182 1.00 0.00 C ATOM 296 O THR A1087 11.097 11.024 -13.112 1.00 0.00 O ATOM 297 CB THR A1087 13.128 13.342 -13.198 1.00 0.00 C ATOM 298 OG1 THR A1087 14.086 13.997 -12.359 1.00 0.00 O ATOM 299 CG2 THR A1087 12.977 14.127 -14.492 1.00 0.00 C ATOM 0 H THR A1087 12.668 12.042 -10.990 1.00 0.00 H new ATOM 0 HA THR A1087 11.315 14.212 -12.441 1.00 0.00 H new ATOM 0 HB THR A1087 13.468 12.335 -13.440 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.941 14.067 -12.832 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.943 14.192 -14.993 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.264 13.622 -15.143 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.616 15.131 -14.269 1.00 0.00 H new ATOM 307 N PHE A1088 9.857 12.745 -13.841 1.00 0.00 N ATOM 308 CA PHE A1088 8.924 11.898 -14.569 1.00 0.00 C ATOM 309 C PHE A1088 8.174 12.704 -15.618 1.00 0.00 C ATOM 310 O PHE A1088 8.198 13.934 -15.602 1.00 0.00 O ATOM 311 CB PHE A1088 7.930 11.238 -13.604 1.00 0.00 C ATOM 312 CG PHE A1088 7.151 12.206 -12.754 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.108 12.940 -13.296 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.455 12.375 -11.414 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.387 13.823 -12.522 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.736 13.258 -10.632 1.00 0.00 C ATOM 317 CZ PHE A1088 5.700 13.983 -11.189 1.00 0.00 C ATOM 0 H PHE A1088 9.648 13.742 -13.889 1.00 0.00 H new ATOM 0 HA PHE A1088 9.496 11.118 -15.072 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.229 10.634 -14.181 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.475 10.557 -12.951 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.857 12.818 -14.339 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.264 11.810 -10.975 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.578 14.389 -12.959 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.983 13.381 -9.588 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.136 14.674 -10.581 1.00 0.00 H new ATOM 327 N ILE A1089 7.510 12.006 -16.526 1.00 0.00 N ATOM 328 CA ILE A1089 6.668 12.651 -17.521 1.00 0.00 C ATOM 329 C ILE A1089 5.267 12.060 -17.455 1.00 0.00 C ATOM 330 O ILE A1089 5.062 11.029 -16.803 1.00 0.00 O ATOM 331 CB ILE A1089 7.222 12.511 -18.966 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.072 11.079 -19.504 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.679 12.944 -19.021 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.957 10.055 -18.830 1.00 0.00 C ATOM 0 H ILE A1089 7.538 10.989 -16.594 1.00 0.00 H new ATOM 0 HA ILE A1089 6.651 13.716 -17.287 1.00 0.00 H new ATOM 0 HB ILE A1089 6.630 13.166 -19.605 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.033 10.771 -19.392 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.291 11.082 -20.572 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.051 12.840 -20.040 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.761 13.985 -18.710 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.270 12.318 -18.353 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.783 9.075 -19.274 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.002 10.333 -18.963 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.725 10.017 -17.766 1.00 0.00 H new ATOM 346 N GLU A1090 4.317 12.708 -18.114 1.00 0.00 N ATOM 347 CA GLU A1090 2.930 12.264 -18.112 1.00 0.00 C ATOM 348 C GLU A1090 2.823 10.812 -18.571 1.00 0.00 C ATOM 349 O GLU A1090 3.133 10.488 -19.717 1.00 0.00 O ATOM 350 CB GLU A1090 2.068 13.145 -19.026 1.00 0.00 C ATOM 351 CG GLU A1090 2.401 14.631 -18.977 1.00 0.00 C ATOM 352 CD GLU A1090 3.453 15.037 -19.993 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.630 14.656 -19.831 1.00 0.00 O ATOM 354 OE2 GLU A1090 3.103 15.735 -20.966 1.00 0.00 O ATOM 0 H GLU A1090 4.484 13.552 -18.662 1.00 0.00 H new ATOM 0 HA GLU A1090 2.565 12.346 -17.088 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.177 12.796 -20.053 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.021 13.012 -18.754 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.493 15.207 -19.153 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.752 14.886 -17.977 1.00 0.00 H new ATOM 361 N GLY A1091 2.408 9.943 -17.665 1.00 0.00 N ATOM 362 CA GLY A1091 2.177 8.558 -18.012 1.00 0.00 C ATOM 363 C GLY A1091 3.069 7.597 -17.253 1.00 0.00 C ATOM 364 O GLY A1091 3.058 6.394 -17.518 1.00 0.00 O ATOM 0 H GLY A1091 2.226 10.174 -16.688 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.134 8.309 -17.814 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.339 8.426 -19.082 1.00 0.00 H new ATOM 368 N GLU A1092 3.838 8.112 -16.308 1.00 0.00 N ATOM 369 CA GLU A1092 4.657 7.263 -15.465 1.00 0.00 C ATOM 370 C GLU A1092 3.880 6.824 -14.235 1.00 0.00 C ATOM 371 O GLU A1092 3.067 7.577 -13.694 1.00 0.00 O ATOM 372 CB GLU A1092 5.940 7.977 -15.043 1.00 0.00 C ATOM 373 CG GLU A1092 6.925 8.167 -16.180 1.00 0.00 C ATOM 374 CD GLU A1092 7.211 6.872 -16.914 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.769 5.943 -16.299 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.870 6.776 -18.112 1.00 0.00 O ATOM 0 H GLU A1092 3.911 9.109 -16.107 1.00 0.00 H new ATOM 0 HA GLU A1092 4.930 6.382 -16.046 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.685 8.951 -14.627 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.420 7.406 -14.248 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.529 8.901 -16.882 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.857 8.573 -15.787 1.00 0.00 H new ATOM 383 N VAL A1093 4.118 5.600 -13.812 1.00 0.00 N ATOM 384 CA VAL A1093 3.479 5.068 -12.626 1.00 0.00 C ATOM 385 C VAL A1093 4.453 5.096 -11.459 1.00 0.00 C ATOM 386 O VAL A1093 5.564 4.570 -11.544 1.00 0.00 O ATOM 387 CB VAL A1093 2.984 3.628 -12.843 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.251 3.118 -11.612 1.00 0.00 C ATOM 389 CG2 VAL A1093 2.097 3.542 -14.075 1.00 0.00 C ATOM 0 H VAL A1093 4.754 4.951 -14.275 1.00 0.00 H new ATOM 0 HA VAL A1093 2.614 5.694 -12.407 1.00 0.00 H new ATOM 0 HB VAL A1093 3.853 2.991 -13.007 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.910 2.098 -11.788 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.925 3.132 -10.755 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.392 3.758 -11.409 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.759 2.515 -14.209 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.233 4.195 -13.948 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.662 3.855 -14.953 1.00 0.00 H new ATOM 399 N ILE A1094 4.030 5.714 -10.377 1.00 0.00 N ATOM 400 CA ILE A1094 4.855 5.836 -9.186 1.00 0.00 C ATOM 401 C ILE A1094 4.174 5.144 -8.017 1.00 0.00 C ATOM 402 O ILE A1094 2.964 5.251 -7.856 1.00 0.00 O ATOM 403 CB ILE A1094 5.094 7.316 -8.803 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.658 8.105 -9.982 1.00 0.00 C ATOM 405 CG2 ILE A1094 6.030 7.419 -7.606 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.826 9.578 -9.688 1.00 0.00 C ATOM 0 H ILE A1094 3.109 6.145 -10.294 1.00 0.00 H new ATOM 0 HA ILE A1094 5.816 5.371 -9.407 1.00 0.00 H new ATOM 0 HB ILE A1094 4.131 7.748 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.624 7.685 -10.263 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.997 7.986 -10.840 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.184 8.468 -7.354 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.589 6.902 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.988 6.961 -7.852 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.231 10.081 -10.567 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.858 10.011 -9.436 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.511 9.706 -8.850 1.00 0.00 H new ATOM 418 N ILE A1095 4.936 4.426 -7.218 1.00 0.00 N ATOM 419 CA ILE A1095 4.405 3.845 -5.998 1.00 0.00 C ATOM 420 C ILE A1095 4.664 4.801 -4.854 1.00 0.00 C ATOM 421 O ILE A1095 5.809 5.171 -4.607 1.00 0.00 O ATOM 422 CB ILE A1095 5.036 2.473 -5.647 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.837 1.459 -6.774 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.452 1.930 -4.347 1.00 0.00 C ATOM 425 CD1 ILE A1095 5.773 1.654 -7.938 1.00 0.00 C ATOM 0 H ILE A1095 5.922 4.230 -7.389 1.00 0.00 H new ATOM 0 HA ILE A1095 3.340 3.679 -6.158 1.00 0.00 H new ATOM 0 HB ILE A1095 6.107 2.629 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A1095 4.973 0.454 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A1095 3.809 1.524 -7.131 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.908 0.967 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.656 2.630 -3.536 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.375 1.805 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A1095 5.572 0.898 -8.697 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.622 2.646 -8.364 1.00 0.00 H new ATOM 0 HD13 ILE A1095 6.804 1.560 -7.596 1.00 0.00 H new ATOM 437 N VAL A1096 3.607 5.212 -4.177 1.00 0.00 N ATOM 438 CA VAL A1096 3.735 6.081 -3.026 1.00 0.00 C ATOM 439 C VAL A1096 4.381 5.317 -1.882 1.00 0.00 C ATOM 440 O VAL A1096 3.775 4.419 -1.297 1.00 0.00 O ATOM 441 CB VAL A1096 2.365 6.621 -2.585 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.503 7.534 -1.377 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.692 7.346 -3.739 1.00 0.00 C ATOM 0 H VAL A1096 2.647 4.955 -4.407 1.00 0.00 H new ATOM 0 HA VAL A1096 4.361 6.929 -3.302 1.00 0.00 H new ATOM 0 HB VAL A1096 1.739 5.778 -2.293 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.520 7.903 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.942 6.978 -0.549 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.146 8.377 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.722 7.724 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.318 8.179 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.553 6.655 -4.571 1.00 0.00 H new ATOM 453 N THR A1097 5.618 5.664 -1.590 1.00 0.00 N ATOM 454 CA THR A1097 6.409 4.945 -0.612 1.00 0.00 C ATOM 455 C THR A1097 6.678 5.820 0.612 1.00 0.00 C ATOM 456 O THR A1097 7.363 5.405 1.550 1.00 0.00 O ATOM 457 CB THR A1097 7.743 4.478 -1.234 1.00 0.00 C ATOM 458 OG1 THR A1097 8.481 5.605 -1.718 1.00 0.00 O ATOM 459 CG2 THR A1097 7.499 3.508 -2.387 1.00 0.00 C ATOM 0 H THR A1097 6.102 6.450 -2.023 1.00 0.00 H new ATOM 0 HA THR A1097 5.844 4.068 -0.295 1.00 0.00 H new ATOM 0 HB THR A1097 8.314 3.968 -0.458 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.326 5.299 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.455 3.195 -2.807 1.00 0.00 H new ATOM 0 HG22 THR A1097 6.960 2.635 -2.020 1.00 0.00 H new ATOM 0 HG23 THR A1097 6.908 4.001 -3.158 1.00 0.00 H new ATOM 467 N GLY A1098 6.130 7.032 0.587 1.00 0.00 N ATOM 468 CA GLY A1098 6.269 7.957 1.694 1.00 0.00 C ATOM 469 C GLY A1098 5.386 9.177 1.511 1.00 0.00 C ATOM 470 O GLY A1098 4.845 9.393 0.428 1.00 0.00 O ATOM 0 H GLY A1098 5.584 7.392 -0.195 1.00 0.00 H new ATOM 0 HA2 GLY A1098 6.008 7.454 2.625 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.310 8.269 1.781 1.00 0.00 H new ATOM 474 N GLU A1099 5.243 9.975 2.559 1.00 0.00 N ATOM 475 CA GLU A1099 4.399 11.167 2.516 1.00 0.00 C ATOM 476 C GLU A1099 5.043 12.310 3.296 1.00 0.00 C ATOM 477 O GLU A1099 5.306 12.190 4.494 1.00 0.00 O ATOM 478 CB GLU A1099 3.004 10.849 3.076 1.00 0.00 C ATOM 479 CG GLU A1099 2.196 9.913 2.186 1.00 0.00 C ATOM 480 CD GLU A1099 0.961 9.356 2.866 1.00 0.00 C ATOM 481 OE1 GLU A1099 1.066 8.288 3.509 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.119 9.965 2.747 1.00 0.00 O ATOM 0 H GLU A1099 5.702 9.820 3.456 1.00 0.00 H new ATOM 0 HA GLU A1099 4.294 11.481 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.110 10.399 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.452 11.780 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.896 10.448 1.285 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.831 9.086 1.869 1.00 0.00 H new ATOM 489 N GLU A1100 5.303 13.414 2.604 1.00 0.00 N ATOM 490 CA GLU A1100 5.952 14.572 3.213 1.00 0.00 C ATOM 491 C GLU A1100 4.919 15.588 3.659 1.00 0.00 C ATOM 492 O GLU A1100 5.016 16.160 4.744 1.00 0.00 O ATOM 493 CB GLU A1100 6.909 15.233 2.221 1.00 0.00 C ATOM 494 CG GLU A1100 8.125 14.394 1.900 1.00 0.00 C ATOM 495 CD GLU A1100 9.052 14.245 3.089 1.00 0.00 C ATOM 496 OE1 GLU A1100 8.804 13.364 3.939 1.00 0.00 O ATOM 497 OE2 GLU A1100 10.032 15.011 3.180 1.00 0.00 O ATOM 0 H GLU A1100 5.074 13.532 1.617 1.00 0.00 H new ATOM 0 HA GLU A1100 6.513 14.224 4.080 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.371 15.446 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.236 16.190 2.627 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.805 13.407 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.669 14.849 1.073 1.00 0.00 H new ATOM 504 N ASP A1101 3.937 15.809 2.803 1.00 0.00 N ATOM 505 CA ASP A1101 2.886 16.777 3.064 1.00 0.00 C ATOM 506 C ASP A1101 1.602 16.292 2.406 1.00 0.00 C ATOM 507 O ASP A1101 1.496 15.113 2.065 1.00 0.00 O ATOM 508 CB ASP A1101 3.292 18.158 2.520 1.00 0.00 C ATOM 509 CG ASP A1101 2.501 19.298 3.138 1.00 0.00 C ATOM 510 OD1 ASP A1101 1.426 19.644 2.602 1.00 0.00 O ATOM 511 OD2 ASP A1101 2.954 19.851 4.159 1.00 0.00 O ATOM 0 H ASP A1101 3.846 15.324 1.910 1.00 0.00 H new ATOM 0 HA ASP A1101 2.726 16.874 4.138 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.354 18.318 2.707 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.153 18.171 1.439 1.00 0.00 H new ATOM 516 N GLN A1102 0.641 17.173 2.212 1.00 0.00 N ATOM 517 CA GLN A1102 -0.600 16.796 1.564 1.00 0.00 C ATOM 518 C GLN A1102 -0.440 16.863 0.047 1.00 0.00 C ATOM 519 O GLN A1102 -1.049 16.082 -0.684 1.00 0.00 O ATOM 520 CB GLN A1102 -1.747 17.697 2.027 1.00 0.00 C ATOM 521 CG GLN A1102 -3.110 17.256 1.522 1.00 0.00 C ATOM 522 CD GLN A1102 -4.246 18.064 2.119 1.00 0.00 C ATOM 523 OE1 GLN A1102 -4.088 19.243 2.437 1.00 0.00 O ATOM 524 NE2 GLN A1102 -5.400 17.433 2.281 1.00 0.00 N ATOM 0 H GLN A1102 0.695 18.152 2.493 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.843 15.771 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.763 17.720 3.117 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.556 18.716 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -3.137 17.346 0.436 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -3.256 16.202 1.758 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -5.490 16.455 2.004 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -6.198 17.925 2.682 1.00 0.00 H new ATOM 533 N GLU A1103 0.408 17.777 -0.420 1.00 0.00 N ATOM 534 CA GLU A1103 0.629 17.941 -1.850 1.00 0.00 C ATOM 535 C GLU A1103 2.024 17.473 -2.237 1.00 0.00 C ATOM 536 O GLU A1103 2.473 17.679 -3.363 1.00 0.00 O ATOM 537 CB GLU A1103 0.407 19.399 -2.280 1.00 0.00 C ATOM 538 CG GLU A1103 1.067 20.431 -1.377 1.00 0.00 C ATOM 539 CD GLU A1103 0.970 21.843 -1.929 1.00 0.00 C ATOM 540 OE1 GLU A1103 -0.159 22.319 -2.168 1.00 0.00 O ATOM 541 OE2 GLU A1103 2.025 22.487 -2.119 1.00 0.00 O ATOM 0 H GLU A1103 0.949 18.410 0.169 1.00 0.00 H new ATOM 0 HA GLU A1103 -0.098 17.321 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.786 19.527 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.665 19.596 -2.313 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.600 20.398 -0.393 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.117 20.170 -1.241 1.00 0.00 H new ATOM 548 N TRP A1104 2.685 16.804 -1.304 1.00 0.00 N ATOM 549 CA TRP A1104 4.049 16.329 -1.513 1.00 0.00 C ATOM 550 C TRP A1104 4.232 14.941 -0.933 1.00 0.00 C ATOM 551 O TRP A1104 4.260 14.763 0.284 1.00 0.00 O ATOM 552 CB TRP A1104 5.060 17.287 -0.884 1.00 0.00 C ATOM 553 CG TRP A1104 5.097 18.614 -1.563 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.349 19.709 -1.250 1.00 0.00 C ATOM 555 CD2 TRP A1104 5.914 18.982 -2.679 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.648 20.739 -2.108 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.609 20.318 -2.992 1.00 0.00 C ATOM 558 CE3 TRP A1104 6.872 18.310 -3.444 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.232 20.997 -4.037 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.489 18.984 -4.480 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.167 20.317 -4.770 1.00 0.00 C ATOM 0 H TRP A1104 2.298 16.576 -0.388 1.00 0.00 H new ATOM 0 HA TRP A1104 4.224 16.287 -2.588 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.813 17.429 0.168 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.052 16.837 -0.921 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.629 19.759 -0.447 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.224 21.667 -2.091 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.125 17.282 -3.229 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 5.986 22.024 -4.261 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.232 18.475 -5.076 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.666 20.817 -5.587 1.00 0.00 H new ATOM 572 N TRP A1105 4.342 13.960 -1.807 1.00 0.00 N ATOM 573 CA TRP A1105 4.530 12.584 -1.387 1.00 0.00 C ATOM 574 C TRP A1105 5.877 12.068 -1.870 1.00 0.00 C ATOM 575 O TRP A1105 6.523 12.688 -2.711 1.00 0.00 O ATOM 576 CB TRP A1105 3.393 11.704 -1.921 1.00 0.00 C ATOM 577 CG TRP A1105 2.073 11.945 -1.243 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.803 12.862 -0.269 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.844 11.252 -1.485 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.492 12.782 0.111 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.122 11.800 -0.619 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.466 10.224 -2.347 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.438 11.349 -0.593 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.838 9.777 -2.321 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.778 10.339 -1.450 1.00 0.00 C ATOM 0 H TRP A1105 4.304 14.091 -2.818 1.00 0.00 H new ATOM 0 HA TRP A1105 4.513 12.544 -0.298 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.280 11.881 -2.991 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.668 10.656 -1.799 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.523 13.553 0.143 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.044 13.360 0.822 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.183 9.785 -3.025 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.164 11.781 0.079 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.139 8.980 -2.984 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.792 9.968 -1.455 1.00 0.00 H new ATOM 596 N ILE A1106 6.294 10.945 -1.317 1.00 0.00 N ATOM 597 CA ILE A1106 7.537 10.302 -1.697 1.00 0.00 C ATOM 598 C ILE A1106 7.208 8.977 -2.349 1.00 0.00 C ATOM 599 O ILE A1106 6.279 8.292 -1.926 1.00 0.00 O ATOM 600 CB ILE A1106 8.457 10.053 -0.479 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.809 11.373 0.202 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.727 9.321 -0.899 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.611 11.201 1.473 1.00 0.00 C ATOM 0 H ILE A1106 5.778 10.451 -0.589 1.00 0.00 H new ATOM 0 HA ILE A1106 8.069 10.960 -2.383 1.00 0.00 H new ATOM 0 HB ILE A1106 7.918 9.425 0.231 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.375 11.992 -0.494 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.889 11.911 0.432 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.358 9.157 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.464 8.360 -1.342 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.268 9.921 -1.630 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.825 12.179 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.039 10.608 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.547 10.691 1.246 1.00 0.00 H new ATOM 615 N GLY A1107 7.931 8.624 -3.384 1.00 0.00 N ATOM 616 CA GLY A1107 7.652 7.386 -4.053 1.00 0.00 C ATOM 617 C GLY A1107 8.757 6.961 -4.974 1.00 0.00 C ATOM 618 O GLY A1107 9.801 7.602 -5.043 1.00 0.00 O ATOM 0 H GLY A1107 8.702 9.167 -3.772 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.485 6.606 -3.310 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.728 7.486 -4.623 1.00 0.00 H new ATOM 622 N HIS A1108 8.508 5.886 -5.690 1.00 0.00 N ATOM 623 CA HIS A1108 9.476 5.342 -6.625 1.00 0.00 C ATOM 624 C HIS A1108 8.768 4.948 -7.919 1.00 0.00 C ATOM 625 O HIS A1108 7.606 4.539 -7.895 1.00 0.00 O ATOM 626 CB HIS A1108 10.246 4.143 -6.011 1.00 0.00 C ATOM 627 CG HIS A1108 9.499 2.834 -5.893 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.370 2.132 -4.708 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.909 2.066 -6.833 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.734 0.995 -4.945 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.448 0.935 -6.221 1.00 0.00 N ATOM 0 H HIS A1108 7.633 5.364 -5.643 1.00 0.00 H new ATOM 0 HA HIS A1108 10.217 6.109 -6.850 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.139 3.970 -6.612 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.583 4.431 -5.015 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.818 2.303 -7.883 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.492 0.243 -4.209 1.00 0.00 H new ATOM 0 HE2 HIS A1108 7.960 0.168 -6.683 1.00 0.00 H new ATOM 640 N ILE A1109 9.458 5.094 -9.037 1.00 0.00 N ATOM 641 CA ILE A1109 8.917 4.711 -10.338 1.00 0.00 C ATOM 642 C ILE A1109 8.743 3.196 -10.422 1.00 0.00 C ATOM 643 O ILE A1109 9.619 2.440 -9.998 1.00 0.00 O ATOM 644 CB ILE A1109 9.841 5.195 -11.487 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.755 6.719 -11.639 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.501 4.509 -12.808 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.403 7.211 -12.117 1.00 0.00 C ATOM 0 H ILE A1109 10.402 5.478 -9.074 1.00 0.00 H new ATOM 0 HA ILE A1109 7.943 5.188 -10.447 1.00 0.00 H new ATOM 0 HB ILE A1109 10.864 4.923 -11.225 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.982 7.184 -10.680 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.520 7.048 -12.342 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.168 4.873 -13.589 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.622 3.431 -12.700 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.469 4.733 -13.079 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.420 8.298 -12.200 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.181 6.776 -13.092 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.635 6.914 -11.404 1.00 0.00 H new ATOM 659 N GLU A1110 7.594 2.768 -10.940 1.00 0.00 N ATOM 660 CA GLU A1110 7.323 1.354 -11.177 1.00 0.00 C ATOM 661 C GLU A1110 8.434 0.721 -12.008 1.00 0.00 C ATOM 662 O GLU A1110 8.650 1.096 -13.162 1.00 0.00 O ATOM 663 CB GLU A1110 5.988 1.188 -11.913 1.00 0.00 C ATOM 664 CG GLU A1110 4.800 0.951 -11.005 1.00 0.00 C ATOM 665 CD GLU A1110 4.757 -0.455 -10.442 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.729 -0.874 -9.783 1.00 0.00 O ATOM 667 OE2 GLU A1110 3.745 -1.147 -10.670 1.00 0.00 O ATOM 0 H GLU A1110 6.829 3.388 -11.206 1.00 0.00 H new ATOM 0 HA GLU A1110 7.274 0.854 -10.210 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.802 2.081 -12.509 1.00 0.00 H new ATOM 0 HB3 GLU A1110 6.071 0.352 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.830 1.665 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A1110 3.882 1.143 -11.560 1.00 0.00 H new ATOM 674 N GLY A1111 9.137 -0.228 -11.416 1.00 0.00 N ATOM 675 CA GLY A1111 10.202 -0.914 -12.119 1.00 0.00 C ATOM 676 C GLY A1111 11.567 -0.307 -11.859 1.00 0.00 C ATOM 677 O GLY A1111 12.589 -0.894 -12.213 1.00 0.00 O ATOM 0 H GLY A1111 8.990 -0.539 -10.456 1.00 0.00 H new ATOM 0 HA2 GLY A1111 10.213 -1.962 -11.819 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.998 -0.891 -13.189 1.00 0.00 H new ATOM 681 N GLN A1112 11.592 0.863 -11.239 1.00 0.00 N ATOM 682 CA GLN A1112 12.847 1.517 -10.906 1.00 0.00 C ATOM 683 C GLN A1112 12.838 2.035 -9.475 1.00 0.00 C ATOM 684 O GLN A1112 12.416 3.164 -9.215 1.00 0.00 O ATOM 685 CB GLN A1112 13.154 2.676 -11.860 1.00 0.00 C ATOM 686 CG GLN A1112 13.693 2.240 -13.212 1.00 0.00 C ATOM 687 CD GLN A1112 14.206 3.410 -14.031 1.00 0.00 C ATOM 688 OE1 GLN A1112 13.461 4.026 -14.794 1.00 0.00 O ATOM 689 NE2 GLN A1112 15.485 3.727 -13.877 1.00 0.00 N ATOM 0 H GLN A1112 10.758 1.378 -10.957 1.00 0.00 H new ATOM 0 HA GLN A1112 13.627 0.763 -11.009 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.244 3.257 -12.014 1.00 0.00 H new ATOM 0 HB3 GLN A1112 13.879 3.339 -11.388 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.499 1.521 -13.065 1.00 0.00 H new ATOM 0 HG3 GLN A1112 12.906 1.728 -13.766 1.00 0.00 H new ATOM 0 HE21 GLN A1112 16.069 3.192 -13.235 1.00 0.00 H new ATOM 0 HE22 GLN A1112 15.884 4.506 -14.401 1.00 0.00 H new ATOM 698 N PRO A1113 13.322 1.222 -8.523 1.00 0.00 N ATOM 699 CA PRO A1113 13.535 1.656 -7.140 1.00 0.00 C ATOM 700 C PRO A1113 14.711 2.623 -7.060 1.00 0.00 C ATOM 701 O PRO A1113 15.093 3.091 -5.987 1.00 0.00 O ATOM 702 CB PRO A1113 13.846 0.358 -6.380 1.00 0.00 C ATOM 703 CG PRO A1113 13.518 -0.751 -7.326 1.00 0.00 C ATOM 704 CD PRO A1113 13.687 -0.187 -8.705 1.00 0.00 C ATOM 0 HA PRO A1113 12.674 2.183 -6.728 1.00 0.00 H new ATOM 0 HB2 PRO A1113 14.893 0.321 -6.081 1.00 0.00 H new ATOM 0 HB3 PRO A1113 13.251 0.285 -5.469 1.00 0.00 H new ATOM 0 HG2 PRO A1113 14.179 -1.604 -7.170 1.00 0.00 H new ATOM 0 HG3 PRO A1113 12.499 -1.105 -7.172 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.710 -0.297 -9.065 1.00 0.00 H new ATOM 0 HD3 PRO A1113 13.039 -0.683 -9.428 1.00 0.00 H new ATOM 712 N GLU A1114 15.289 2.883 -8.219 1.00 0.00 N ATOM 713 CA GLU A1114 16.350 3.856 -8.374 1.00 0.00 C ATOM 714 C GLU A1114 15.758 5.252 -8.545 1.00 0.00 C ATOM 715 O GLU A1114 16.298 6.234 -8.043 1.00 0.00 O ATOM 716 CB GLU A1114 17.187 3.470 -9.590 1.00 0.00 C ATOM 717 CG GLU A1114 18.262 4.468 -9.972 1.00 0.00 C ATOM 718 CD GLU A1114 18.988 4.042 -11.226 1.00 0.00 C ATOM 719 OE1 GLU A1114 18.412 4.182 -12.325 1.00 0.00 O ATOM 720 OE2 GLU A1114 20.117 3.530 -11.117 1.00 0.00 O ATOM 0 H GLU A1114 15.030 2.417 -9.089 1.00 0.00 H new ATOM 0 HA GLU A1114 16.983 3.867 -7.487 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.659 2.507 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A1114 16.521 3.333 -10.442 1.00 0.00 H new ATOM 0 HG2 GLU A1114 17.812 5.449 -10.126 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.975 4.569 -9.153 1.00 0.00 H new ATOM 727 N ARG A1115 14.628 5.327 -9.235 1.00 0.00 N ATOM 728 CA ARG A1115 13.951 6.596 -9.449 1.00 0.00 C ATOM 729 C ARG A1115 12.953 6.851 -8.335 1.00 0.00 C ATOM 730 O ARG A1115 11.799 6.432 -8.424 1.00 0.00 O ATOM 731 CB ARG A1115 13.217 6.626 -10.793 1.00 0.00 C ATOM 732 CG ARG A1115 14.094 6.955 -11.987 1.00 0.00 C ATOM 733 CD ARG A1115 13.240 7.386 -13.170 1.00 0.00 C ATOM 734 NE ARG A1115 14.044 7.811 -14.315 1.00 0.00 N ATOM 735 CZ ARG A1115 13.712 8.820 -15.125 1.00 0.00 C ATOM 736 NH1 ARG A1115 12.652 9.576 -14.863 1.00 0.00 N ATOM 737 NH2 ARG A1115 14.461 9.096 -16.181 1.00 0.00 N ATOM 0 H ARG A1115 14.162 4.523 -9.656 1.00 0.00 H new ATOM 0 HA ARG A1115 14.714 7.374 -9.453 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.751 5.655 -10.959 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.413 7.360 -10.736 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.792 7.750 -11.725 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.690 6.084 -12.259 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.596 6.559 -13.469 1.00 0.00 H new ATOM 0 HD3 ARG A1115 12.588 8.204 -12.864 1.00 0.00 H new ATOM 0 HE ARG A1115 14.910 7.307 -14.507 1.00 0.00 H new ATOM 0 HH11 ARG A1115 12.083 9.388 -14.037 1.00 0.00 H new ATOM 0 HH12 ARG A1115 12.407 10.344 -15.488 1.00 0.00 H new ATOM 0 HH21 ARG A1115 15.292 8.538 -16.377 1.00 0.00 H new ATOM 0 HH22 ARG A1115 14.207 9.867 -16.799 1.00 0.00 H new ATOM 751 N LYS A1116 13.393 7.519 -7.285 1.00 0.00 N ATOM 752 CA LYS A1116 12.514 7.827 -6.167 1.00 0.00 C ATOM 753 C LYS A1116 12.640 9.289 -5.775 1.00 0.00 C ATOM 754 O LYS A1116 13.480 10.015 -6.307 1.00 0.00 O ATOM 755 CB LYS A1116 12.837 6.957 -4.952 1.00 0.00 C ATOM 756 CG LYS A1116 13.179 5.522 -5.295 1.00 0.00 C ATOM 757 CD LYS A1116 13.343 4.665 -4.048 1.00 0.00 C ATOM 758 CE LYS A1116 14.569 5.067 -3.240 1.00 0.00 C ATOM 759 NZ LYS A1116 15.812 5.036 -4.055 1.00 0.00 N ATOM 0 H LYS A1116 14.349 7.858 -7.181 1.00 0.00 H new ATOM 0 HA LYS A1116 11.494 7.620 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.674 7.400 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A1116 11.982 6.964 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.394 5.102 -5.924 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.101 5.497 -5.877 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.453 4.755 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.426 3.617 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.425 6.070 -2.838 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.678 4.395 -2.389 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 16.617 4.776 -3.450 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.710 4.335 -4.816 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 15.979 5.975 -4.469 1.00 0.00 H new ATOM 773 N GLY A1117 11.799 9.717 -4.852 1.00 0.00 N ATOM 774 CA GLY A1117 11.918 11.055 -4.323 1.00 0.00 C ATOM 775 C GLY A1117 10.573 11.689 -4.072 1.00 0.00 C ATOM 776 O GLY A1117 9.550 11.002 -4.086 1.00 0.00 O ATOM 0 H GLY A1117 11.037 9.163 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.484 11.027 -3.392 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.484 11.671 -5.022 1.00 0.00 H new ATOM 780 N VAL A1118 10.568 12.994 -3.842 1.00 0.00 N ATOM 781 CA VAL A1118 9.325 13.715 -3.616 1.00 0.00 C ATOM 782 C VAL A1118 8.670 14.103 -4.933 1.00 0.00 C ATOM 783 O VAL A1118 9.351 14.417 -5.914 1.00 0.00 O ATOM 784 CB VAL A1118 9.530 14.982 -2.754 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.847 14.603 -1.318 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.629 15.865 -3.326 1.00 0.00 C ATOM 0 H VAL A1118 11.407 13.573 -3.807 1.00 0.00 H new ATOM 0 HA VAL A1118 8.671 13.034 -3.071 1.00 0.00 H new ATOM 0 HB VAL A1118 8.600 15.551 -2.768 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.988 15.507 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.022 14.023 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.759 14.006 -1.292 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.750 16.748 -2.698 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.566 15.308 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.360 16.172 -4.337 1.00 0.00 H new ATOM 796 N PHE A1119 7.348 14.053 -4.952 1.00 0.00 N ATOM 797 CA PHE A1119 6.581 14.443 -6.120 1.00 0.00 C ATOM 798 C PHE A1119 5.278 15.117 -5.703 1.00 0.00 C ATOM 799 O PHE A1119 4.592 14.659 -4.782 1.00 0.00 O ATOM 800 CB PHE A1119 6.309 13.236 -7.036 1.00 0.00 C ATOM 801 CG PHE A1119 5.641 12.048 -6.381 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.380 11.123 -5.661 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.276 11.833 -6.525 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.775 10.017 -5.100 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.669 10.726 -5.955 1.00 0.00 C ATOM 806 CZ PHE A1119 4.424 9.818 -5.244 1.00 0.00 C ATOM 0 H PHE A1119 6.781 13.743 -4.163 1.00 0.00 H new ATOM 0 HA PHE A1119 7.172 15.161 -6.689 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.685 13.567 -7.866 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.257 12.906 -7.462 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.443 11.270 -5.537 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.681 12.537 -7.088 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.367 9.304 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.606 10.575 -6.068 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.954 8.952 -4.801 1.00 0.00 H new ATOM 816 N PRO A1120 4.952 16.247 -6.348 1.00 0.00 N ATOM 817 CA PRO A1120 3.713 16.976 -6.087 1.00 0.00 C ATOM 818 C PRO A1120 2.488 16.159 -6.483 1.00 0.00 C ATOM 819 O PRO A1120 2.359 15.714 -7.626 1.00 0.00 O ATOM 820 CB PRO A1120 3.835 18.237 -6.951 1.00 0.00 C ATOM 821 CG PRO A1120 4.847 17.902 -7.993 1.00 0.00 C ATOM 822 CD PRO A1120 5.778 16.901 -7.375 1.00 0.00 C ATOM 0 HA PRO A1120 3.582 17.200 -5.028 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.878 18.499 -7.402 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.152 19.093 -6.355 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.368 17.490 -8.881 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.389 18.793 -8.308 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.143 16.185 -8.111 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.653 17.383 -6.939 1.00 0.00 H new ATOM 830 N VAL A1121 1.589 15.976 -5.527 1.00 0.00 N ATOM 831 CA VAL A1121 0.429 15.109 -5.703 1.00 0.00 C ATOM 832 C VAL A1121 -0.521 15.650 -6.776 1.00 0.00 C ATOM 833 O VAL A1121 -1.251 14.891 -7.411 1.00 0.00 O ATOM 834 CB VAL A1121 -0.330 14.929 -4.368 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.413 13.872 -4.482 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.638 14.557 -3.262 1.00 0.00 C ATOM 0 H VAL A1121 1.641 16.421 -4.611 1.00 0.00 H new ATOM 0 HA VAL A1121 0.798 14.138 -6.034 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.808 15.879 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.926 13.772 -3.525 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.129 14.166 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -0.963 12.917 -4.754 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.092 14.433 -2.327 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.139 13.623 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.380 15.347 -3.147 1.00 0.00 H new ATOM 846 N SER A1122 -0.486 16.957 -7.003 1.00 0.00 N ATOM 847 CA SER A1122 -1.347 17.579 -8.003 1.00 0.00 C ATOM 848 C SER A1122 -0.829 17.308 -9.419 1.00 0.00 C ATOM 849 O SER A1122 -1.457 17.695 -10.404 1.00 0.00 O ATOM 850 CB SER A1122 -1.453 19.087 -7.755 1.00 0.00 C ATOM 851 OG SER A1122 -2.358 19.696 -8.666 1.00 0.00 O ATOM 0 H SER A1122 0.127 17.606 -6.510 1.00 0.00 H new ATOM 0 HA SER A1122 -2.340 17.138 -7.914 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.786 19.267 -6.733 1.00 0.00 H new ATOM 0 HB3 SER A1122 -0.469 19.545 -7.855 1.00 0.00 H new ATOM 0 HG SER A1122 -2.298 19.248 -9.535 1.00 0.00 H new ATOM 857 N PHE A1123 0.318 16.647 -9.516 1.00 0.00 N ATOM 858 CA PHE A1123 0.901 16.318 -10.809 1.00 0.00 C ATOM 859 C PHE A1123 0.664 14.852 -11.155 1.00 0.00 C ATOM 860 O PHE A1123 1.080 14.375 -12.214 1.00 0.00 O ATOM 861 CB PHE A1123 2.401 16.630 -10.817 1.00 0.00 C ATOM 862 CG PHE A1123 2.717 18.082 -11.048 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.333 19.049 -10.132 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.395 18.477 -12.187 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.623 20.382 -10.351 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.688 19.807 -12.413 1.00 0.00 C ATOM 867 CZ PHE A1123 3.302 20.763 -11.492 1.00 0.00 C ATOM 0 H PHE A1123 0.862 16.329 -8.714 1.00 0.00 H new ATOM 0 HA PHE A1123 0.413 16.932 -11.566 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.832 16.321 -9.865 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.882 16.035 -11.593 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.802 18.757 -9.238 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.699 17.734 -12.910 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.319 21.126 -9.630 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.218 20.100 -13.307 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.531 21.804 -11.664 1.00 0.00 H new ATOM 877 N VAL A1124 -0.017 14.142 -10.268 1.00 0.00 N ATOM 878 CA VAL A1124 -0.249 12.717 -10.455 1.00 0.00 C ATOM 879 C VAL A1124 -1.714 12.359 -10.213 1.00 0.00 C ATOM 880 O VAL A1124 -2.450 13.113 -9.575 1.00 0.00 O ATOM 881 CB VAL A1124 0.642 11.874 -9.519 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.114 12.124 -9.800 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.324 12.166 -8.060 1.00 0.00 C ATOM 0 H VAL A1124 -0.418 14.528 -9.413 1.00 0.00 H new ATOM 0 HA VAL A1124 0.008 12.488 -11.489 1.00 0.00 H new ATOM 0 HB VAL A1124 0.430 10.823 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.721 11.518 -9.127 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.338 11.855 -10.832 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.341 13.179 -9.642 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.965 11.560 -7.420 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.499 13.222 -7.854 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.720 11.926 -7.860 1.00 0.00 H new ATOM 893 N HIS A1125 -2.133 11.215 -10.743 1.00 0.00 N ATOM 894 CA HIS A1125 -3.497 10.733 -10.572 1.00 0.00 C ATOM 895 C HIS A1125 -3.470 9.423 -9.791 1.00 0.00 C ATOM 896 O HIS A1125 -3.059 8.396 -10.313 1.00 0.00 O ATOM 897 CB HIS A1125 -4.139 10.526 -11.946 1.00 0.00 C ATOM 898 CG HIS A1125 -5.566 10.970 -12.032 1.00 0.00 C ATOM 899 ND1 HIS A1125 -5.935 12.235 -12.433 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.716 10.301 -11.804 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.249 12.322 -12.450 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.752 11.162 -12.073 1.00 0.00 N ATOM 0 H HIS A1125 -1.540 10.600 -11.300 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.086 11.464 -10.018 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.557 11.067 -12.692 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -4.083 9.469 -12.205 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.805 9.277 -11.471 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -7.819 13.197 -12.726 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.745 10.941 -11.994 1.00 0.00 H new ATOM 911 N ILE A1126 -3.908 9.471 -8.544 1.00 0.00 N ATOM 912 CA ILE A1126 -3.718 8.363 -7.606 1.00 0.00 C ATOM 913 C ILE A1126 -4.484 7.107 -8.008 1.00 0.00 C ATOM 914 O ILE A1126 -5.611 7.175 -8.501 1.00 0.00 O ATOM 915 CB ILE A1126 -4.138 8.778 -6.184 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.345 10.013 -5.759 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.929 7.633 -5.194 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.706 10.517 -4.386 1.00 0.00 C ATOM 0 H ILE A1126 -4.403 10.271 -8.149 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.655 8.125 -7.629 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.201 9.019 -6.187 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.281 9.777 -5.783 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.511 10.809 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.234 7.953 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.528 6.775 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.876 7.353 -5.179 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.104 11.395 -4.151 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.762 10.784 -4.363 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.513 9.737 -3.650 1.00 0.00 H new ATOM 930 N LEU A1127 -3.846 5.965 -7.789 1.00 0.00 N ATOM 931 CA LEU A1127 -4.446 4.670 -8.040 1.00 0.00 C ATOM 932 C LEU A1127 -4.599 3.925 -6.726 1.00 0.00 C ATOM 933 O LEU A1127 -3.679 3.913 -5.905 1.00 0.00 O ATOM 934 CB LEU A1127 -3.559 3.820 -8.960 1.00 0.00 C ATOM 935 CG LEU A1127 -2.705 4.595 -9.955 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.760 3.653 -10.688 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.582 5.341 -10.947 1.00 0.00 C ATOM 0 H LEU A1127 -2.892 5.915 -7.430 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.413 4.834 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.900 3.213 -8.339 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.197 3.132 -9.515 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.112 5.325 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.156 4.221 -11.396 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.107 3.160 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.339 2.903 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.953 5.888 -11.649 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.201 4.629 -11.493 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.222 6.042 -10.411 1.00 0.00 H new