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+ 162:sc= 1.3 (180deg=1.14) USER MOD Single : A1074 THR OG1 : rot 154:sc= 1.91 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -102:sc= 0.0101 USER MOD Single : A1079 GLN : amide:sc= 0.0459 X(o=0.046,f=-0.17) USER MOD Single : A1082 ASN : amide:sc= 0.00669 K(o=0.0067,f=-8.8!) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.749 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A1108 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-3.7!) USER MOD Single : A1112 GLN : amide:sc= -1.62! C(o=-1.6!,f=-6.8!) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot -39:sc= 0.0585 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 -0.341 2.057 -2.396 1.00 0.00 N ATOM 20 CA ARG A1070 -1.007 3.001 -3.284 1.00 0.00 C ATOM 21 C ARG A1070 -0.028 3.568 -4.298 1.00 0.00 C ATOM 22 O ARG A1070 1.134 3.831 -3.985 1.00 0.00 O ATOM 23 CB ARG A1070 -1.681 4.138 -2.509 1.00 0.00 C ATOM 24 CG ARG A1070 -0.765 4.872 -1.544 1.00 0.00 C ATOM 25 CD ARG A1070 -1.374 6.190 -1.084 1.00 0.00 C ATOM 26 NE ARG A1070 -2.745 6.037 -0.589 1.00 0.00 N ATOM 27 CZ ARG A1070 -3.349 6.917 0.211 1.00 0.00 C ATOM 28 NH1 ARG A1070 -2.676 7.956 0.699 1.00 0.00 N ATOM 29 NH2 ARG A1070 -4.622 6.750 0.537 1.00 0.00 N ATOM 0 HA ARG A1070 -1.786 2.451 -3.811 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -2.087 4.856 -3.222 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -2.524 3.731 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -0.567 4.240 -0.678 1.00 0.00 H new ATOM 0 HG3 ARG A1070 0.194 5.062 -2.026 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -0.753 6.617 -0.296 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -1.368 6.897 -1.913 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.268 5.209 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -1.692 8.083 0.462 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -3.144 8.625 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -5.140 5.949 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -5.084 7.423 1.149 1.00 0.00 H new ATOM 43 N ARG A1071 -0.502 3.750 -5.512 1.00 0.00 N ATOM 44 CA ARG A1071 0.330 4.219 -6.594 1.00 0.00 C ATOM 45 C ARG A1071 -0.293 5.459 -7.195 1.00 0.00 C ATOM 46 O ARG A1071 -1.382 5.850 -6.799 1.00 0.00 O ATOM 47 CB ARG A1071 0.489 3.124 -7.651 1.00 0.00 C ATOM 48 CG ARG A1071 1.158 1.866 -7.114 1.00 0.00 C ATOM 49 CD ARG A1071 1.461 0.858 -8.212 1.00 0.00 C ATOM 50 NE ARG A1071 0.256 0.269 -8.788 1.00 0.00 N ATOM 51 CZ ARG A1071 0.266 -0.675 -9.726 1.00 0.00 C ATOM 52 NH1 ARG A1071 1.418 -1.184 -10.156 1.00 0.00 N ATOM 53 NH2 ARG A1071 -0.880 -1.126 -10.215 1.00 0.00 N ATOM 0 H ARG A1071 -1.472 3.577 -5.774 1.00 0.00 H new ATOM 0 HA ARG A1071 1.321 4.466 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.493 2.865 -8.047 1.00 0.00 H new ATOM 0 HB3 ARG A1071 1.076 3.513 -8.483 1.00 0.00 H new ATOM 0 HG2 ARG A1071 2.084 2.138 -6.608 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.511 1.404 -6.368 1.00 0.00 H new ATOM 0 HD2 ARG A1071 2.033 1.347 -9.000 1.00 0.00 H new ATOM 0 HD3 ARG A1071 2.090 0.065 -7.807 1.00 0.00 H new ATOM 0 HE ARG A1071 -0.648 0.601 -8.451 1.00 0.00 H new ATOM 0 HH11 ARG A1071 2.300 -0.851 -9.766 1.00 0.00 H new ATOM 0 HH12 ARG A1071 1.419 -1.907 -10.875 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -1.764 -0.750 -9.872 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -0.878 -1.849 -10.934 1.00 0.00 H new ATOM 67 N VAL A1072 0.404 6.091 -8.110 1.00 0.00 N ATOM 68 CA VAL A1072 -0.113 7.262 -8.790 1.00 0.00 C ATOM 69 C VAL A1072 0.279 7.228 -10.263 1.00 0.00 C ATOM 70 O VAL A1072 1.278 6.612 -10.639 1.00 0.00 O ATOM 71 CB VAL A1072 0.402 8.578 -8.164 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.077 8.732 -6.729 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.919 8.650 -8.228 1.00 0.00 C ATOM 0 H VAL A1072 1.340 5.813 -8.405 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.198 7.238 -8.685 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.008 9.403 -8.747 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.302 9.667 -6.317 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.167 8.742 -6.708 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.290 7.897 -6.131 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.258 9.585 -7.782 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.347 7.810 -7.680 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.242 8.607 -9.268 1.00 0.00 H new ATOM 83 N LYS A1073 -0.517 7.881 -11.081 1.00 0.00 N ATOM 84 CA LYS A1073 -0.254 8.011 -12.493 1.00 0.00 C ATOM 85 C LYS A1073 0.027 9.464 -12.811 1.00 0.00 C ATOM 86 O LYS A1073 -0.841 10.320 -12.666 1.00 0.00 O ATOM 87 CB LYS A1073 -1.453 7.517 -13.306 1.00 0.00 C ATOM 88 CG LYS A1073 -1.412 7.947 -14.759 1.00 0.00 C ATOM 89 CD LYS A1073 -0.276 7.293 -15.513 1.00 0.00 C ATOM 90 CE LYS A1073 -0.509 5.801 -15.698 1.00 0.00 C ATOM 91 NZ LYS A1073 0.175 5.284 -16.911 1.00 0.00 N ATOM 0 H LYS A1073 -1.375 8.342 -10.778 1.00 0.00 H new ATOM 0 HA LYS A1073 0.612 7.404 -12.757 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.492 6.429 -13.258 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.370 7.890 -12.850 1.00 0.00 H new ATOM 0 HG2 LYS A1073 -2.358 7.694 -15.238 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.306 9.031 -14.813 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -0.165 7.768 -16.488 1.00 0.00 H new ATOM 0 HD3 LYS A1073 0.658 7.451 -14.973 1.00 0.00 H new ATOM 0 HE2 LYS A1073 -0.148 5.265 -14.820 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -1.579 5.606 -15.773 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.257 4.249 -16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -0.377 5.537 -17.755 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 1.124 5.703 -16.980 1.00 0.00 H new ATOM 105 N THR A1074 1.244 9.732 -13.209 1.00 0.00 N ATOM 106 CA THR A1074 1.660 11.078 -13.540 1.00 0.00 C ATOM 107 C THR A1074 0.864 11.621 -14.724 1.00 0.00 C ATOM 108 O THR A1074 0.957 11.111 -15.840 1.00 0.00 O ATOM 109 CB THR A1074 3.164 11.105 -13.854 1.00 0.00 C ATOM 110 OG1 THR A1074 3.449 10.271 -14.980 1.00 0.00 O ATOM 111 CG2 THR A1074 3.958 10.610 -12.656 1.00 0.00 C ATOM 0 H THR A1074 1.975 9.029 -13.314 1.00 0.00 H new ATOM 0 HA THR A1074 1.465 11.717 -12.678 1.00 0.00 H new ATOM 0 HB THR A1074 3.449 12.132 -14.081 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.261 10.590 -15.426 1.00 0.00 H new ATOM 0 HG21 THR A1074 5.022 10.633 -12.890 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.761 11.253 -11.798 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.661 9.588 -12.420 1.00 0.00 H new ATOM 119 N ILE A1075 0.064 12.644 -14.475 1.00 0.00 N ATOM 120 CA ILE A1075 -0.753 13.231 -15.523 1.00 0.00 C ATOM 121 C ILE A1075 -0.053 14.444 -16.124 1.00 0.00 C ATOM 122 O ILE A1075 -0.444 14.940 -17.181 1.00 0.00 O ATOM 123 CB ILE A1075 -2.162 13.619 -15.015 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.071 14.640 -13.883 1.00 0.00 C ATOM 125 CG2 ILE A1075 -2.922 12.381 -14.547 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.421 15.043 -13.332 1.00 0.00 C ATOM 0 H ILE A1075 -0.037 13.084 -13.560 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.884 12.473 -16.296 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.706 14.072 -15.844 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.466 14.225 -13.077 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.554 15.529 -14.245 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -3.911 12.673 -14.193 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.026 11.682 -15.377 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.373 11.902 -13.736 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.285 15.770 -12.531 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.021 15.487 -14.127 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -3.931 14.163 -12.940 1.00 0.00 H new ATOM 138 N TYR A1076 1.001 14.897 -15.453 1.00 0.00 N ATOM 139 CA TYR A1076 1.825 15.991 -15.944 1.00 0.00 C ATOM 140 C TYR A1076 3.288 15.576 -15.864 1.00 0.00 C ATOM 141 O TYR A1076 3.634 14.664 -15.111 1.00 0.00 O ATOM 142 CB TYR A1076 1.602 17.271 -15.124 1.00 0.00 C ATOM 143 CG TYR A1076 0.189 17.809 -15.172 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.416 18.125 -16.381 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.538 17.999 -14.006 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.706 18.615 -16.425 1.00 0.00 C ATOM 147 CE2 TYR A1076 -1.829 18.488 -14.043 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.408 18.794 -15.254 1.00 0.00 C ATOM 149 OH TYR A1076 -3.695 19.283 -15.293 1.00 0.00 O ATOM 0 H TYR A1076 1.306 14.516 -14.557 1.00 0.00 H new ATOM 0 HA TYR A1076 1.547 16.205 -16.976 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.867 17.073 -14.085 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.283 18.042 -15.485 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.131 17.985 -17.302 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.087 17.761 -13.054 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -2.162 18.857 -17.373 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.382 18.630 -13.126 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.048 19.348 -14.381 1.00 0.00 H new ATOM 159 N ASP A1077 4.137 16.225 -16.643 1.00 0.00 N ATOM 160 CA ASP A1077 5.555 15.904 -16.636 1.00 0.00 C ATOM 161 C ASP A1077 6.285 16.785 -15.635 1.00 0.00 C ATOM 162 O ASP A1077 6.062 17.994 -15.571 1.00 0.00 O ATOM 163 CB ASP A1077 6.173 16.047 -18.035 1.00 0.00 C ATOM 164 CG ASP A1077 6.255 17.480 -18.524 1.00 0.00 C ATOM 165 OD1 ASP A1077 5.217 18.036 -18.936 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.365 18.050 -18.522 1.00 0.00 O ATOM 0 H ASP A1077 3.872 16.973 -17.284 1.00 0.00 H new ATOM 0 HA ASP A1077 5.663 14.862 -16.336 1.00 0.00 H new ATOM 0 HB2 ASP A1077 7.175 15.618 -18.025 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.584 15.464 -18.743 1.00 0.00 H new ATOM 171 N CYS A1078 7.141 16.172 -14.845 1.00 0.00 N ATOM 172 CA CYS A1078 7.878 16.891 -13.818 1.00 0.00 C ATOM 173 C CYS A1078 9.379 16.740 -14.021 1.00 0.00 C ATOM 174 O CYS A1078 9.931 15.646 -13.883 1.00 0.00 O ATOM 175 CB CYS A1078 7.488 16.393 -12.427 1.00 0.00 C ATOM 176 SG CYS A1078 8.379 17.181 -11.063 1.00 0.00 S ATOM 0 H CYS A1078 7.347 15.174 -14.892 1.00 0.00 H new ATOM 0 HA CYS A1078 7.621 17.947 -13.899 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.419 16.553 -12.285 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.658 15.317 -12.380 1.00 0.00 H new ATOM 0 HG CYS A1078 9.316 16.385 -10.639 1.00 0.00 H new ATOM 182 N GLN A1079 10.030 17.840 -14.359 1.00 0.00 N ATOM 183 CA GLN A1079 11.476 17.870 -14.464 1.00 0.00 C ATOM 184 C GLN A1079 12.071 18.293 -13.132 1.00 0.00 C ATOM 185 O GLN A1079 12.122 19.481 -12.811 1.00 0.00 O ATOM 186 CB GLN A1079 11.933 18.820 -15.575 1.00 0.00 C ATOM 187 CG GLN A1079 12.064 18.155 -16.937 1.00 0.00 C ATOM 188 CD GLN A1079 10.737 17.729 -17.538 1.00 0.00 C ATOM 189 OE1 GLN A1079 10.665 16.730 -18.255 1.00 0.00 O ATOM 190 NE2 GLN A1079 9.686 18.492 -17.275 1.00 0.00 N ATOM 0 H GLN A1079 9.575 18.729 -14.566 1.00 0.00 H new ATOM 0 HA GLN A1079 11.826 16.870 -14.719 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.223 19.644 -15.650 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.895 19.252 -15.298 1.00 0.00 H new ATOM 0 HG2 GLN A1079 12.558 18.844 -17.622 1.00 0.00 H new ATOM 0 HG3 GLN A1079 12.708 17.281 -16.844 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.788 19.311 -16.676 1.00 0.00 H new ATOM 0 HE22 GLN A1079 8.775 18.260 -17.672 1.00 0.00 H new ATOM 199 N ALA A1080 12.479 17.300 -12.353 1.00 0.00 N ATOM 200 CA ALA A1080 13.047 17.522 -11.027 1.00 0.00 C ATOM 201 C ALA A1080 14.197 18.516 -11.053 1.00 0.00 C ATOM 202 O ALA A1080 15.122 18.405 -11.861 1.00 0.00 O ATOM 203 CB ALA A1080 13.520 16.210 -10.430 1.00 0.00 C ATOM 0 H ALA A1080 12.426 16.317 -12.621 1.00 0.00 H new ATOM 0 HA ALA A1080 12.256 17.945 -10.407 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.941 16.391 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.677 15.524 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A1080 14.282 15.771 -11.074 1.00 0.00 H new ATOM 209 N ASP A1081 14.119 19.491 -10.167 1.00 0.00 N ATOM 210 CA ASP A1081 15.189 20.462 -9.996 1.00 0.00 C ATOM 211 C ASP A1081 16.092 20.028 -8.850 1.00 0.00 C ATOM 212 O ASP A1081 17.307 20.220 -8.877 1.00 0.00 O ATOM 213 CB ASP A1081 14.607 21.849 -9.710 1.00 0.00 C ATOM 214 CG ASP A1081 15.679 22.898 -9.488 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.189 23.446 -10.486 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.008 23.185 -8.317 1.00 0.00 O ATOM 0 H ASP A1081 13.320 19.634 -9.549 1.00 0.00 H new ATOM 0 HA ASP A1081 15.773 20.514 -10.915 1.00 0.00 H new ATOM 0 HB2 ASP A1081 13.975 22.152 -10.544 1.00 0.00 H new ATOM 0 HB3 ASP A1081 13.968 21.796 -8.829 1.00 0.00 H new ATOM 221 N ASN A1082 15.471 19.415 -7.855 1.00 0.00 N ATOM 222 CA ASN A1082 16.167 18.933 -6.671 1.00 0.00 C ATOM 223 C ASN A1082 16.559 17.471 -6.888 1.00 0.00 C ATOM 224 O ASN A1082 15.858 16.731 -7.578 1.00 0.00 O ATOM 225 CB ASN A1082 15.223 19.072 -5.467 1.00 0.00 C ATOM 226 CG ASN A1082 15.887 18.901 -4.113 1.00 0.00 C ATOM 227 OD1 ASN A1082 16.903 18.224 -3.968 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.283 19.496 -3.098 1.00 0.00 N ATOM 0 H ASN A1082 14.467 19.237 -7.845 1.00 0.00 H new ATOM 0 HA ASN A1082 17.072 19.511 -6.485 1.00 0.00 H new ATOM 0 HB2 ASN A1082 14.753 20.055 -5.504 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.426 18.334 -5.561 1.00 0.00 H new ATOM 0 HD21 ASN A1082 15.659 19.401 -2.154 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.442 20.050 -3.259 1.00 0.00 H new ATOM 235 N ASP A1083 17.688 17.065 -6.319 1.00 0.00 N ATOM 236 CA ASP A1083 18.166 15.688 -6.446 1.00 0.00 C ATOM 237 C ASP A1083 17.291 14.744 -5.623 1.00 0.00 C ATOM 238 O ASP A1083 17.226 13.546 -5.885 1.00 0.00 O ATOM 239 CB ASP A1083 19.625 15.594 -5.990 1.00 0.00 C ATOM 240 CG ASP A1083 20.218 14.212 -6.193 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.779 13.959 -7.280 1.00 0.00 O ATOM 242 OD2 ASP A1083 20.136 13.379 -5.266 1.00 0.00 O ATOM 0 H ASP A1083 18.293 17.670 -5.763 1.00 0.00 H new ATOM 0 HA ASP A1083 18.106 15.391 -7.493 1.00 0.00 H new ATOM 0 HB2 ASP A1083 20.220 16.324 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.689 15.860 -4.935 1.00 0.00 H new ATOM 247 N ASP A1084 16.601 15.306 -4.638 1.00 0.00 N ATOM 248 CA ASP A1084 15.706 14.530 -3.779 1.00 0.00 C ATOM 249 C ASP A1084 14.297 14.537 -4.368 1.00 0.00 C ATOM 250 O ASP A1084 13.352 13.992 -3.798 1.00 0.00 O ATOM 251 CB ASP A1084 15.710 15.116 -2.361 1.00 0.00 C ATOM 252 CG ASP A1084 14.916 14.295 -1.360 1.00 0.00 C ATOM 253 OD1 ASP A1084 15.041 13.052 -1.357 1.00 0.00 O ATOM 254 OD2 ASP A1084 14.190 14.899 -0.536 1.00 0.00 O ATOM 0 H ASP A1084 16.642 16.300 -4.411 1.00 0.00 H new ATOM 0 HA ASP A1084 16.053 13.498 -3.724 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.740 15.199 -2.014 1.00 0.00 H new ATOM 0 HB3 ASP A1084 15.303 16.126 -2.394 1.00 0.00 H new ATOM 259 N GLU A1085 14.180 15.156 -5.531 1.00 0.00 N ATOM 260 CA GLU A1085 12.921 15.241 -6.250 1.00 0.00 C ATOM 261 C GLU A1085 12.930 14.208 -7.369 1.00 0.00 C ATOM 262 O GLU A1085 13.979 13.639 -7.683 1.00 0.00 O ATOM 263 CB GLU A1085 12.765 16.651 -6.818 1.00 0.00 C ATOM 264 CG GLU A1085 11.340 17.093 -7.070 1.00 0.00 C ATOM 265 CD GLU A1085 11.272 18.547 -7.487 1.00 0.00 C ATOM 266 OE1 GLU A1085 11.566 18.851 -8.662 1.00 0.00 O ATOM 267 OE2 GLU A1085 10.949 19.398 -6.633 1.00 0.00 O ATOM 0 H GLU A1085 14.958 15.615 -6.004 1.00 0.00 H new ATOM 0 HA GLU A1085 12.082 15.039 -5.584 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.230 17.356 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A1085 13.318 16.710 -7.756 1.00 0.00 H new ATOM 0 HG2 GLU A1085 10.897 16.470 -7.847 1.00 0.00 H new ATOM 0 HG3 GLU A1085 10.748 16.945 -6.167 1.00 0.00 H new ATOM 274 N LEU A1086 11.783 13.959 -7.974 1.00 0.00 N ATOM 275 CA LEU A1086 11.701 12.935 -9.000 1.00 0.00 C ATOM 276 C LEU A1086 11.433 13.520 -10.378 1.00 0.00 C ATOM 277 O LEU A1086 10.650 14.460 -10.535 1.00 0.00 O ATOM 278 CB LEU A1086 10.632 11.894 -8.669 1.00 0.00 C ATOM 279 CG LEU A1086 10.529 10.769 -9.698 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.861 10.060 -9.845 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.454 9.775 -9.322 1.00 0.00 C ATOM 0 H LEU A1086 10.907 14.443 -7.777 1.00 0.00 H new ATOM 0 HA LEU A1086 12.676 12.448 -9.020 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.849 11.462 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.665 12.392 -8.590 1.00 0.00 H new ATOM 0 HG LEU A1086 10.257 11.219 -10.653 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.769 9.262 -10.582 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.618 10.772 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.155 9.636 -8.885 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.407 8.988 -10.075 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.688 9.336 -8.352 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.491 10.283 -9.268 1.00 0.00 H new ATOM 293 N THR A1087 12.095 12.942 -11.371 1.00 0.00 N ATOM 294 CA THR A1087 11.894 13.312 -12.759 1.00 0.00 C ATOM 295 C THR A1087 11.039 12.257 -13.450 1.00 0.00 C ATOM 296 O THR A1087 11.355 11.065 -13.411 1.00 0.00 O ATOM 297 CB THR A1087 13.233 13.442 -13.509 1.00 0.00 C ATOM 298 OG1 THR A1087 14.157 14.214 -12.732 1.00 0.00 O ATOM 299 CG2 THR A1087 13.036 14.104 -14.865 1.00 0.00 C ATOM 0 H THR A1087 12.786 12.204 -11.234 1.00 0.00 H new ATOM 0 HA THR A1087 11.393 14.280 -12.777 1.00 0.00 H new ATOM 0 HB THR A1087 13.632 12.440 -13.665 1.00 0.00 H new ATOM 0 HG1 THR A1087 15.006 14.291 -13.215 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.997 14.184 -15.374 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.355 13.503 -15.468 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.615 15.100 -14.726 1.00 0.00 H new ATOM 307 N PHE A1088 9.961 12.700 -14.064 1.00 0.00 N ATOM 308 CA PHE A1088 9.035 11.806 -14.741 1.00 0.00 C ATOM 309 C PHE A1088 8.235 12.575 -15.782 1.00 0.00 C ATOM 310 O PHE A1088 8.225 13.805 -15.779 1.00 0.00 O ATOM 311 CB PHE A1088 8.083 11.145 -13.731 1.00 0.00 C ATOM 312 CG PHE A1088 7.299 12.123 -12.894 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.197 12.784 -13.416 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.666 12.377 -11.582 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.481 13.679 -12.648 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.952 13.274 -10.809 1.00 0.00 C ATOM 317 CZ PHE A1088 5.858 13.925 -11.344 1.00 0.00 C ATOM 0 H PHE A1088 9.700 13.685 -14.110 1.00 0.00 H new ATOM 0 HA PHE A1088 9.611 11.025 -15.237 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.386 10.504 -14.271 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.662 10.500 -13.070 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.896 12.596 -14.436 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.519 11.868 -11.158 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.625 14.187 -13.068 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.249 13.465 -9.789 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.298 14.626 -10.742 1.00 0.00 H new ATOM 327 N ILE A1089 7.564 11.853 -16.664 1.00 0.00 N ATOM 328 CA ILE A1089 6.695 12.475 -17.649 1.00 0.00 C ATOM 329 C ILE A1089 5.303 11.872 -17.567 1.00 0.00 C ATOM 330 O ILE A1089 5.102 10.844 -16.904 1.00 0.00 O ATOM 331 CB ILE A1089 7.231 12.355 -19.100 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.107 10.919 -19.647 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.675 12.833 -19.175 1.00 0.00 C ATOM 334 CD1 ILE A1089 7.940 9.883 -18.922 1.00 0.00 C ATOM 0 H ILE A1089 7.604 10.835 -16.718 1.00 0.00 H new ATOM 0 HA ILE A1089 6.663 13.538 -17.409 1.00 0.00 H new ATOM 0 HB ILE A1089 6.612 12.995 -19.729 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.060 10.618 -19.601 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.392 10.921 -20.699 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.036 12.742 -20.200 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.730 13.876 -18.862 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.295 12.224 -18.517 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.785 8.906 -19.380 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.994 10.152 -18.989 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.641 9.844 -17.874 1.00 0.00 H new ATOM 346 N GLU A1090 4.350 12.506 -18.235 1.00 0.00 N ATOM 347 CA GLU A1090 2.964 12.061 -18.206 1.00 0.00 C ATOM 348 C GLU A1090 2.852 10.612 -18.666 1.00 0.00 C ATOM 349 O GLU A1090 3.223 10.274 -19.793 1.00 0.00 O ATOM 350 CB GLU A1090 2.079 12.937 -19.098 1.00 0.00 C ATOM 351 CG GLU A1090 2.372 14.424 -19.010 1.00 0.00 C ATOM 352 CD GLU A1090 3.322 14.898 -20.091 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.449 14.369 -20.174 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.942 15.807 -20.859 1.00 0.00 O ATOM 0 H GLU A1090 4.513 13.335 -18.807 1.00 0.00 H new ATOM 0 HA GLU A1090 2.621 12.144 -17.175 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.198 12.617 -20.133 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.036 12.769 -18.830 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.437 14.979 -19.085 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.799 14.649 -18.033 1.00 0.00 H new ATOM 361 N GLY A1091 2.356 9.766 -17.781 1.00 0.00 N ATOM 362 CA GLY A1091 2.107 8.383 -18.129 1.00 0.00 C ATOM 363 C GLY A1091 2.902 7.414 -17.285 1.00 0.00 C ATOM 364 O GLY A1091 2.739 6.200 -17.409 1.00 0.00 O ATOM 0 H GLY A1091 2.119 10.013 -16.820 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.044 8.170 -18.014 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.352 8.228 -19.180 1.00 0.00 H new ATOM 368 N GLU A1092 3.740 7.937 -16.409 1.00 0.00 N ATOM 369 CA GLU A1092 4.536 7.093 -15.533 1.00 0.00 C ATOM 370 C GLU A1092 3.758 6.741 -14.273 1.00 0.00 C ATOM 371 O GLU A1092 2.993 7.556 -13.750 1.00 0.00 O ATOM 372 CB GLU A1092 5.844 7.792 -15.166 1.00 0.00 C ATOM 373 CG GLU A1092 6.805 7.925 -16.332 1.00 0.00 C ATOM 374 CD GLU A1092 7.331 6.588 -16.813 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.565 5.824 -17.435 1.00 0.00 O ATOM 376 OE2 GLU A1092 8.525 6.296 -16.579 1.00 0.00 O ATOM 0 H GLU A1092 3.888 8.938 -16.284 1.00 0.00 H new ATOM 0 HA GLU A1092 4.768 6.170 -16.065 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.619 8.784 -14.775 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.332 7.237 -14.365 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.302 8.430 -17.156 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.644 8.555 -16.036 1.00 0.00 H new ATOM 383 N VAL A1093 3.933 5.520 -13.800 1.00 0.00 N ATOM 384 CA VAL A1093 3.310 5.099 -12.563 1.00 0.00 C ATOM 385 C VAL A1093 4.320 5.186 -11.431 1.00 0.00 C ATOM 386 O VAL A1093 5.413 4.631 -11.517 1.00 0.00 O ATOM 387 CB VAL A1093 2.778 3.655 -12.653 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.060 3.259 -11.370 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.861 3.491 -13.857 1.00 0.00 C ATOM 0 H VAL A1093 4.501 4.805 -14.255 1.00 0.00 H new ATOM 0 HA VAL A1093 2.466 5.762 -12.374 1.00 0.00 H new ATOM 0 HB VAL A1093 3.631 2.989 -12.782 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.694 2.236 -11.459 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.752 3.325 -10.530 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.219 3.932 -11.201 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.498 2.464 -13.900 1.00 0.00 H new ATOM 0 HG22 VAL A1093 1.015 4.172 -13.765 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.413 3.719 -14.769 1.00 0.00 H new ATOM 399 N ILE A1094 3.958 5.892 -10.384 1.00 0.00 N ATOM 400 CA ILE A1094 4.820 6.031 -9.222 1.00 0.00 C ATOM 401 C ILE A1094 4.190 5.331 -8.033 1.00 0.00 C ATOM 402 O ILE A1094 3.005 5.490 -7.777 1.00 0.00 O ATOM 403 CB ILE A1094 5.067 7.510 -8.854 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.697 8.264 -10.024 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.957 7.613 -7.622 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.936 9.730 -9.733 1.00 0.00 C ATOM 0 H ILE A1094 3.067 6.384 -10.309 1.00 0.00 H new ATOM 0 HA ILE A1094 5.779 5.578 -9.474 1.00 0.00 H new ATOM 0 HB ILE A1094 4.103 7.967 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.645 7.793 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.049 8.175 -10.896 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.120 8.663 -7.378 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.473 7.116 -6.781 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.915 7.134 -7.824 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.385 10.206 -10.605 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.987 10.215 -9.503 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.608 9.827 -8.881 1.00 0.00 H new ATOM 418 N ILE A1095 4.967 4.548 -7.320 1.00 0.00 N ATOM 419 CA ILE A1095 4.462 3.884 -6.137 1.00 0.00 C ATOM 420 C ILE A1095 4.747 4.728 -4.909 1.00 0.00 C ATOM 421 O ILE A1095 5.906 5.009 -4.596 1.00 0.00 O ATOM 422 CB ILE A1095 5.066 2.479 -5.973 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.819 1.679 -7.254 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.470 1.776 -4.759 1.00 0.00 C ATOM 425 CD1 ILE A1095 5.053 0.195 -7.121 1.00 0.00 C ATOM 0 H ILE A1095 5.945 4.355 -7.535 1.00 0.00 H new ATOM 0 HA ILE A1095 3.384 3.766 -6.252 1.00 0.00 H new ATOM 0 HB ILE A1095 6.140 2.559 -5.806 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.791 1.844 -7.578 1.00 0.00 H new ATOM 0 HG13 ILE A1095 5.467 2.067 -8.040 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.910 0.784 -4.661 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.681 2.357 -3.862 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.391 1.683 -4.885 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.854 -0.292 -8.076 1.00 0.00 H new ATOM 0 HD12 ILE A1095 6.088 0.014 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.386 -0.212 -6.361 1.00 0.00 H new ATOM 437 N VAL A1096 3.682 5.150 -4.246 1.00 0.00 N ATOM 438 CA VAL A1096 3.782 6.011 -3.083 1.00 0.00 C ATOM 439 C VAL A1096 4.363 5.250 -1.904 1.00 0.00 C ATOM 440 O VAL A1096 3.717 4.367 -1.339 1.00 0.00 O ATOM 441 CB VAL A1096 2.404 6.581 -2.699 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.519 7.516 -1.502 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.777 7.289 -3.888 1.00 0.00 C ATOM 0 H VAL A1096 2.725 4.904 -4.500 1.00 0.00 H new ATOM 0 HA VAL A1096 4.445 6.838 -3.338 1.00 0.00 H new ATOM 0 HB VAL A1096 1.754 5.754 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.533 7.906 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.922 6.968 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.184 8.343 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.803 7.687 -3.602 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.424 8.106 -4.207 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.654 6.582 -4.709 1.00 0.00 H new ATOM 453 N THR A1097 5.579 5.599 -1.537 1.00 0.00 N ATOM 454 CA THR A1097 6.294 4.896 -0.489 1.00 0.00 C ATOM 455 C THR A1097 6.451 5.777 0.750 1.00 0.00 C ATOM 456 O THR A1097 7.016 5.356 1.761 1.00 0.00 O ATOM 457 CB THR A1097 7.674 4.442 -1.002 1.00 0.00 C ATOM 458 OG1 THR A1097 8.399 5.570 -1.513 1.00 0.00 O ATOM 459 CG2 THR A1097 7.521 3.398 -2.104 1.00 0.00 C ATOM 0 H THR A1097 6.098 6.373 -1.953 1.00 0.00 H new ATOM 0 HA THR A1097 5.714 4.017 -0.208 1.00 0.00 H new ATOM 0 HB THR A1097 8.222 3.999 -0.170 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.276 5.276 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.507 3.090 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A1097 6.988 2.532 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A1097 6.959 3.825 -2.935 1.00 0.00 H new ATOM 467 N GLY A1098 5.948 7.006 0.655 1.00 0.00 N ATOM 468 CA GLY A1098 5.979 7.926 1.773 1.00 0.00 C ATOM 469 C GLY A1098 5.132 9.156 1.507 1.00 0.00 C ATOM 470 O GLY A1098 4.734 9.403 0.370 1.00 0.00 O ATOM 0 H GLY A1098 5.515 7.381 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.618 7.422 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.008 8.227 1.969 1.00 0.00 H new ATOM 474 N GLU A1099 4.844 9.921 2.549 1.00 0.00 N ATOM 475 CA GLU A1099 4.069 11.150 2.416 1.00 0.00 C ATOM 476 C GLU A1099 4.703 12.266 3.239 1.00 0.00 C ATOM 477 O GLU A1099 4.854 12.148 4.455 1.00 0.00 O ATOM 478 CB GLU A1099 2.610 10.921 2.843 1.00 0.00 C ATOM 479 CG GLU A1099 1.806 10.107 1.838 1.00 0.00 C ATOM 480 CD GLU A1099 0.411 9.770 2.326 1.00 0.00 C ATOM 481 OE1 GLU A1099 -0.438 10.681 2.407 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.152 8.583 2.624 1.00 0.00 O ATOM 0 H GLU A1099 5.137 9.712 3.503 1.00 0.00 H new ATOM 0 HA GLU A1099 4.071 11.449 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.597 10.411 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.126 11.887 2.987 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.733 10.664 0.904 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.340 9.183 1.617 1.00 0.00 H new ATOM 489 N GLU A1100 5.077 13.346 2.563 1.00 0.00 N ATOM 490 CA GLU A1100 5.762 14.463 3.213 1.00 0.00 C ATOM 491 C GLU A1100 4.769 15.529 3.614 1.00 0.00 C ATOM 492 O GLU A1100 4.781 16.025 4.740 1.00 0.00 O ATOM 493 CB GLU A1100 6.796 15.083 2.275 1.00 0.00 C ATOM 494 CG GLU A1100 8.071 14.285 2.165 1.00 0.00 C ATOM 495 CD GLU A1100 8.810 14.194 3.485 1.00 0.00 C ATOM 496 OE1 GLU A1100 9.610 15.105 3.788 1.00 0.00 O ATOM 497 OE2 GLU A1100 8.597 13.214 4.224 1.00 0.00 O ATOM 0 H GLU A1100 4.918 13.474 1.564 1.00 0.00 H new ATOM 0 HA GLU A1100 6.263 14.074 4.099 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.357 15.188 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.035 16.087 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.839 13.280 1.812 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.720 14.743 1.419 1.00 0.00 H new ATOM 504 N ASP A1101 3.915 15.873 2.671 1.00 0.00 N ATOM 505 CA ASP A1101 2.953 16.943 2.849 1.00 0.00 C ATOM 506 C ASP A1101 1.613 16.518 2.256 1.00 0.00 C ATOM 507 O ASP A1101 1.407 15.337 1.978 1.00 0.00 O ATOM 508 CB ASP A1101 3.478 18.222 2.176 1.00 0.00 C ATOM 509 CG ASP A1101 2.721 19.473 2.580 1.00 0.00 C ATOM 510 OD1 ASP A1101 3.055 20.064 3.624 1.00 0.00 O ATOM 511 OD2 ASP A1101 1.792 19.873 1.849 1.00 0.00 O ATOM 0 H ASP A1101 3.868 15.419 1.759 1.00 0.00 H new ATOM 0 HA ASP A1101 2.811 17.150 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.532 18.348 2.425 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.418 18.104 1.094 1.00 0.00 H new ATOM 516 N GLN A1102 0.714 17.457 2.054 1.00 0.00 N ATOM 517 CA GLN A1102 -0.588 17.152 1.492 1.00 0.00 C ATOM 518 C GLN A1102 -0.474 17.031 -0.020 1.00 0.00 C ATOM 519 O GLN A1102 -1.157 16.222 -0.652 1.00 0.00 O ATOM 520 CB GLN A1102 -1.577 18.253 1.856 1.00 0.00 C ATOM 521 CG GLN A1102 -1.466 18.693 3.303 1.00 0.00 C ATOM 522 CD GLN A1102 -2.357 19.871 3.625 1.00 0.00 C ATOM 523 OE1 GLN A1102 -3.442 20.017 3.061 1.00 0.00 O ATOM 524 NE2 GLN A1102 -1.896 20.727 4.519 1.00 0.00 N ATOM 0 H GLN A1102 0.860 18.443 2.271 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.947 16.207 1.899 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.411 19.113 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -2.591 17.901 1.666 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -1.726 17.858 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -0.431 18.956 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -0.991 20.565 4.961 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -2.445 21.550 4.768 1.00 0.00 H new ATOM 533 N GLU A1103 0.426 17.827 -0.586 1.00 0.00 N ATOM 534 CA GLU A1103 0.623 17.868 -2.027 1.00 0.00 C ATOM 535 C GLU A1103 2.017 17.388 -2.395 1.00 0.00 C ATOM 536 O GLU A1103 2.450 17.518 -3.538 1.00 0.00 O ATOM 537 CB GLU A1103 0.397 19.285 -2.565 1.00 0.00 C ATOM 538 CG GLU A1103 1.006 20.374 -1.697 1.00 0.00 C ATOM 539 CD GLU A1103 0.965 21.737 -2.356 1.00 0.00 C ATOM 540 OE1 GLU A1103 -0.143 22.279 -2.547 1.00 0.00 O ATOM 541 OE2 GLU A1103 2.040 22.270 -2.693 1.00 0.00 O ATOM 0 H GLU A1103 1.034 18.457 -0.063 1.00 0.00 H new ATOM 0 HA GLU A1103 -0.107 17.200 -2.484 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.818 19.354 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.675 19.463 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.472 20.418 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.040 20.116 -1.469 1.00 0.00 H new ATOM 548 N TRP A1104 2.701 16.809 -1.425 1.00 0.00 N ATOM 549 CA TRP A1104 4.063 16.330 -1.629 1.00 0.00 C ATOM 550 C TRP A1104 4.242 14.951 -1.027 1.00 0.00 C ATOM 551 O TRP A1104 4.216 14.786 0.192 1.00 0.00 O ATOM 552 CB TRP A1104 5.074 17.307 -1.026 1.00 0.00 C ATOM 553 CG TRP A1104 5.102 18.614 -1.745 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.346 19.711 -1.471 1.00 0.00 C ATOM 555 CD2 TRP A1104 5.914 18.948 -2.872 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.629 20.712 -2.365 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.598 20.271 -3.234 1.00 0.00 C ATOM 558 CE3 TRP A1104 6.880 18.258 -3.611 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.214 20.916 -4.305 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.492 18.897 -4.671 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.157 20.215 -5.010 1.00 0.00 C ATOM 0 H TRP A1104 2.337 16.657 -0.484 1.00 0.00 H new ATOM 0 HA TRP A1104 4.242 16.264 -2.702 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.829 17.478 0.022 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.068 16.860 -1.053 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.628 19.783 -0.667 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.192 21.633 -2.382 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.143 17.242 -3.357 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 5.957 21.931 -4.570 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.240 18.373 -5.248 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.653 20.688 -5.845 1.00 0.00 H new ATOM 572 N TRP A1105 4.406 13.959 -1.882 1.00 0.00 N ATOM 573 CA TRP A1105 4.578 12.592 -1.431 1.00 0.00 C ATOM 574 C TRP A1105 5.949 12.074 -1.828 1.00 0.00 C ATOM 575 O TRP A1105 6.645 12.688 -2.633 1.00 0.00 O ATOM 576 CB TRP A1105 3.492 11.691 -2.026 1.00 0.00 C ATOM 577 CG TRP A1105 2.114 11.958 -1.496 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.757 12.871 -0.544 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.905 11.299 -1.888 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.408 12.816 -0.319 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.142 11.858 -1.132 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.607 10.290 -2.803 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.466 11.441 -1.270 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.703 9.877 -2.938 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.726 10.452 -2.175 1.00 0.00 C ATOM 0 H TRP A1105 4.424 14.075 -2.895 1.00 0.00 H new ATOM 0 HA TRP A1105 4.493 12.577 -0.344 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.484 11.817 -3.109 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.750 10.651 -1.828 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.441 13.539 -0.042 1.00 0.00 H new ATOM 0 HE1 TRP A1105 -0.106 13.394 0.346 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.389 9.839 -3.396 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.257 11.884 -0.683 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -0.943 9.096 -3.645 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.741 10.107 -2.305 1.00 0.00 H new ATOM 596 N ILE A1106 6.324 10.948 -1.254 1.00 0.00 N ATOM 597 CA ILE A1106 7.569 10.283 -1.578 1.00 0.00 C ATOM 598 C ILE A1106 7.257 8.956 -2.239 1.00 0.00 C ATOM 599 O ILE A1106 6.367 8.230 -1.797 1.00 0.00 O ATOM 600 CB ILE A1106 8.436 10.047 -0.320 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.890 11.382 0.265 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.641 9.175 -0.643 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.633 11.246 1.578 1.00 0.00 C ATOM 0 H ILE A1106 5.770 10.467 -0.546 1.00 0.00 H new ATOM 0 HA ILE A1106 8.136 10.923 -2.254 1.00 0.00 H new ATOM 0 HB ILE A1106 7.829 9.525 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.533 11.886 -0.457 1.00 0.00 H new ATOM 0 HG13 ILE A1106 8.018 12.019 0.414 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.234 9.025 0.259 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.301 8.210 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.252 9.665 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.925 12.234 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.985 10.771 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.524 10.635 1.430 1.00 0.00 H new ATOM 615 N GLY A1107 7.952 8.655 -3.310 1.00 0.00 N ATOM 616 CA GLY A1107 7.693 7.426 -4.008 1.00 0.00 C ATOM 617 C GLY A1107 8.717 7.143 -5.066 1.00 0.00 C ATOM 618 O GLY A1107 9.654 7.917 -5.257 1.00 0.00 O ATOM 0 H GLY A1107 8.689 9.236 -3.710 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.675 6.603 -3.294 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.705 7.473 -4.466 1.00 0.00 H new ATOM 622 N HIS A1108 8.515 6.050 -5.772 1.00 0.00 N ATOM 623 CA HIS A1108 9.468 5.584 -6.765 1.00 0.00 C ATOM 624 C HIS A1108 8.755 5.209 -8.054 1.00 0.00 C ATOM 625 O HIS A1108 7.601 4.777 -8.029 1.00 0.00 O ATOM 626 CB HIS A1108 10.284 4.387 -6.227 1.00 0.00 C ATOM 627 CG HIS A1108 9.500 3.139 -5.914 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.563 2.502 -4.699 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.695 2.376 -6.687 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.833 1.400 -4.744 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.297 1.299 -5.941 1.00 0.00 N ATOM 0 H HIS A1108 7.689 5.459 -5.676 1.00 0.00 H new ATOM 0 HA HIS A1108 10.161 6.398 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.050 4.136 -6.961 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.801 4.704 -5.321 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.090 2.828 -3.889 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.416 2.580 -7.710 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.699 0.700 -3.933 1.00 0.00 H new ATOM 640 N ILE A1109 9.439 5.389 -9.172 1.00 0.00 N ATOM 641 CA ILE A1109 8.923 4.964 -10.463 1.00 0.00 C ATOM 642 C ILE A1109 8.733 3.454 -10.467 1.00 0.00 C ATOM 643 O ILE A1109 9.661 2.699 -10.178 1.00 0.00 O ATOM 644 CB ILE A1109 9.866 5.379 -11.619 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.847 6.902 -11.808 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.481 4.673 -12.914 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.509 7.445 -12.276 1.00 0.00 C ATOM 0 H ILE A1109 10.358 5.829 -9.211 1.00 0.00 H new ATOM 0 HA ILE A1109 7.964 5.457 -10.622 1.00 0.00 H new ATOM 0 HB ILE A1109 10.880 5.076 -11.357 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.112 7.379 -10.865 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.614 7.178 -12.532 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.158 4.981 -13.711 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.551 3.594 -12.775 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.459 4.939 -13.183 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.574 8.527 -12.387 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.250 6.997 -13.235 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.741 7.201 -11.542 1.00 0.00 H new ATOM 659 N GLU A1110 7.521 3.026 -10.764 1.00 0.00 N ATOM 660 CA GLU A1110 7.200 1.613 -10.810 1.00 0.00 C ATOM 661 C GLU A1110 8.038 0.914 -11.880 1.00 0.00 C ATOM 662 O GLU A1110 8.079 1.341 -13.037 1.00 0.00 O ATOM 663 CB GLU A1110 5.703 1.438 -11.075 1.00 0.00 C ATOM 664 CG GLU A1110 5.261 0.004 -11.327 1.00 0.00 C ATOM 665 CD GLU A1110 5.520 -0.937 -10.166 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.681 -1.059 -9.724 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.553 -1.567 -9.695 1.00 0.00 O ATOM 0 H GLU A1110 6.737 3.642 -10.979 1.00 0.00 H new ATOM 0 HA GLU A1110 7.438 1.154 -9.851 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.149 1.829 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.428 2.045 -11.938 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.195 -0.002 -11.554 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.777 -0.374 -12.209 1.00 0.00 H new ATOM 674 N GLY A1111 8.711 -0.154 -11.481 1.00 0.00 N ATOM 675 CA GLY A1111 9.592 -0.866 -12.382 1.00 0.00 C ATOM 676 C GLY A1111 11.036 -0.424 -12.258 1.00 0.00 C ATOM 677 O GLY A1111 11.949 -1.167 -12.622 1.00 0.00 O ATOM 0 H GLY A1111 8.661 -0.543 -10.540 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.525 -1.935 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.256 -0.714 -13.408 1.00 0.00 H new ATOM 681 N GLN A1112 11.253 0.773 -11.728 1.00 0.00 N ATOM 682 CA GLN A1112 12.599 1.312 -11.585 1.00 0.00 C ATOM 683 C GLN A1112 12.733 2.078 -10.269 1.00 0.00 C ATOM 684 O GLN A1112 12.530 3.293 -10.218 1.00 0.00 O ATOM 685 CB GLN A1112 12.937 2.219 -12.775 1.00 0.00 C ATOM 686 CG GLN A1112 14.360 2.769 -12.766 1.00 0.00 C ATOM 687 CD GLN A1112 15.420 1.690 -12.907 1.00 0.00 C ATOM 688 OE1 GLN A1112 15.236 0.550 -12.481 1.00 0.00 O ATOM 689 NE2 GLN A1112 16.542 2.045 -13.511 1.00 0.00 N ATOM 0 H GLN A1112 10.514 1.389 -11.390 1.00 0.00 H new ATOM 0 HA GLN A1112 13.306 0.483 -11.570 1.00 0.00 H new ATOM 0 HB2 GLN A1112 12.783 1.659 -13.698 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.238 3.055 -12.789 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.470 3.486 -13.579 1.00 0.00 H new ATOM 0 HG3 GLN A1112 14.526 3.313 -11.836 1.00 0.00 H new ATOM 0 HE21 GLN A1112 16.658 3.000 -13.851 1.00 0.00 H new ATOM 0 HE22 GLN A1112 17.291 1.364 -13.637 1.00 0.00 H new ATOM 698 N PRO A1113 13.093 1.368 -9.184 1.00 0.00 N ATOM 699 CA PRO A1113 13.222 1.963 -7.845 1.00 0.00 C ATOM 700 C PRO A1113 14.409 2.918 -7.740 1.00 0.00 C ATOM 701 O PRO A1113 14.600 3.580 -6.722 1.00 0.00 O ATOM 702 CB PRO A1113 13.421 0.750 -6.936 1.00 0.00 C ATOM 703 CG PRO A1113 14.009 -0.295 -7.819 1.00 0.00 C ATOM 704 CD PRO A1113 13.402 -0.075 -9.177 1.00 0.00 C ATOM 0 HA PRO A1113 12.354 2.569 -7.584 1.00 0.00 H new ATOM 0 HB2 PRO A1113 14.085 0.984 -6.104 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.476 0.419 -6.506 1.00 0.00 H new ATOM 0 HG2 PRO A1113 15.095 -0.208 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO A1113 13.782 -1.294 -7.447 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.095 -0.341 -9.975 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.506 -0.679 -9.319 1.00 0.00 H new ATOM 712 N GLU A1114 15.190 2.989 -8.811 1.00 0.00 N ATOM 713 CA GLU A1114 16.328 3.888 -8.887 1.00 0.00 C ATOM 714 C GLU A1114 15.833 5.327 -8.904 1.00 0.00 C ATOM 715 O GLU A1114 16.480 6.237 -8.384 1.00 0.00 O ATOM 716 CB GLU A1114 17.152 3.550 -10.142 1.00 0.00 C ATOM 717 CG GLU A1114 18.260 4.537 -10.481 1.00 0.00 C ATOM 718 CD GLU A1114 17.775 5.699 -11.329 1.00 0.00 C ATOM 719 OE1 GLU A1114 17.038 5.459 -12.304 1.00 0.00 O ATOM 720 OE2 GLU A1114 18.149 6.855 -11.039 1.00 0.00 O ATOM 0 H GLU A1114 15.050 2.424 -9.649 1.00 0.00 H new ATOM 0 HA GLU A1114 16.973 3.768 -8.016 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.596 2.563 -10.010 1.00 0.00 H new ATOM 0 HB3 GLU A1114 16.475 3.484 -10.994 1.00 0.00 H new ATOM 0 HG2 GLU A1114 18.692 4.923 -9.557 1.00 0.00 H new ATOM 0 HG3 GLU A1114 19.056 4.014 -11.011 1.00 0.00 H new ATOM 727 N ARG A1115 14.656 5.512 -9.476 1.00 0.00 N ATOM 728 CA ARG A1115 14.050 6.821 -9.559 1.00 0.00 C ATOM 729 C ARG A1115 13.024 7.004 -8.459 1.00 0.00 C ATOM 730 O ARG A1115 11.879 6.566 -8.591 1.00 0.00 O ATOM 731 CB ARG A1115 13.379 7.027 -10.912 1.00 0.00 C ATOM 732 CG ARG A1115 14.336 7.306 -12.051 1.00 0.00 C ATOM 733 CD ARG A1115 13.588 7.830 -13.261 1.00 0.00 C ATOM 734 NE ARG A1115 14.474 8.052 -14.400 1.00 0.00 N ATOM 735 CZ ARG A1115 14.129 8.722 -15.495 1.00 0.00 C ATOM 736 NH1 ARG A1115 12.961 9.354 -15.552 1.00 0.00 N ATOM 737 NH2 ARG A1115 14.974 8.792 -16.517 1.00 0.00 N ATOM 0 H ARG A1115 14.101 4.764 -9.891 1.00 0.00 H new ATOM 0 HA ARG A1115 14.843 7.560 -9.441 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.796 6.138 -11.153 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.677 7.857 -10.833 1.00 0.00 H new ATOM 0 HG2 ARG A1115 15.083 8.034 -11.735 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.871 6.394 -12.315 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.809 7.120 -13.541 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.090 8.764 -13.002 1.00 0.00 H new ATOM 0 HE ARG A1115 15.418 7.669 -14.352 1.00 0.00 H new ATOM 0 HH11 ARG A1115 12.326 9.326 -14.754 1.00 0.00 H new ATOM 0 HH12 ARG A1115 12.699 9.867 -16.394 1.00 0.00 H new ATOM 0 HH21 ARG A1115 15.883 8.333 -16.460 1.00 0.00 H new ATOM 0 HH22 ARG A1115 14.714 9.305 -17.359 1.00 0.00 H new ATOM 751 N LYS A1116 13.428 7.642 -7.375 1.00 0.00 N ATOM 752 CA LYS A1116 12.505 7.934 -6.293 1.00 0.00 C ATOM 753 C LYS A1116 12.854 9.226 -5.572 1.00 0.00 C ATOM 754 O LYS A1116 13.972 9.739 -5.687 1.00 0.00 O ATOM 755 CB LYS A1116 12.433 6.766 -5.313 1.00 0.00 C ATOM 756 CG LYS A1116 13.761 6.318 -4.737 1.00 0.00 C ATOM 757 CD LYS A1116 13.592 4.995 -4.009 1.00 0.00 C ATOM 758 CE LYS A1116 14.892 4.516 -3.392 1.00 0.00 C ATOM 759 NZ LYS A1116 14.772 3.130 -2.875 1.00 0.00 N ATOM 0 H LYS A1116 14.383 7.966 -7.221 1.00 0.00 H new ATOM 0 HA LYS A1116 11.521 8.074 -6.740 1.00 0.00 H new ATOM 0 HB2 LYS A1116 11.775 7.044 -4.490 1.00 0.00 H new ATOM 0 HB3 LYS A1116 11.971 5.918 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A1116 14.496 6.212 -5.535 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.143 7.074 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.839 5.104 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.222 4.243 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.687 4.560 -4.137 1.00 0.00 H new ATOM 0 HE3 LYS A1116 15.178 5.185 -2.580 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.679 2.835 -2.460 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 14.030 3.094 -2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.523 2.489 -3.655 1.00 0.00 H new ATOM 773 N GLY A1117 11.878 9.741 -4.836 1.00 0.00 N ATOM 774 CA GLY A1117 12.028 11.000 -4.140 1.00 0.00 C ATOM 775 C GLY A1117 10.682 11.644 -3.899 1.00 0.00 C ATOM 776 O GLY A1117 9.667 10.946 -3.834 1.00 0.00 O ATOM 0 H GLY A1117 10.968 9.297 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.534 10.837 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.658 11.671 -4.724 1.00 0.00 H new ATOM 780 N VAL A1118 10.655 12.962 -3.773 1.00 0.00 N ATOM 781 CA VAL A1118 9.399 13.674 -3.585 1.00 0.00 C ATOM 782 C VAL A1118 8.768 14.043 -4.924 1.00 0.00 C ATOM 783 O VAL A1118 9.464 14.380 -5.885 1.00 0.00 O ATOM 784 CB VAL A1118 9.560 14.954 -2.731 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.851 14.601 -1.285 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.650 15.859 -3.287 1.00 0.00 C ATOM 0 H VAL A1118 11.483 13.558 -3.797 1.00 0.00 H new ATOM 0 HA VAL A1118 8.745 12.988 -3.047 1.00 0.00 H new ATOM 0 HB VAL A1118 8.617 15.500 -2.773 1.00 0.00 H new ATOM 0 HG11 VAL A1118 9.961 15.516 -0.702 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.028 14.010 -0.882 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.774 14.023 -1.230 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.737 16.749 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.600 15.324 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.395 16.153 -4.305 1.00 0.00 H new ATOM 796 N PHE A1119 7.448 13.956 -4.980 1.00 0.00 N ATOM 797 CA PHE A1119 6.706 14.325 -6.171 1.00 0.00 C ATOM 798 C PHE A1119 5.404 15.016 -5.790 1.00 0.00 C ATOM 799 O PHE A1119 4.712 14.597 -4.856 1.00 0.00 O ATOM 800 CB PHE A1119 6.440 13.101 -7.065 1.00 0.00 C ATOM 801 CG PHE A1119 5.721 11.948 -6.400 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.412 11.046 -5.605 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.363 11.744 -6.605 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.762 9.970 -5.030 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.712 10.670 -6.023 1.00 0.00 C ATOM 806 CZ PHE A1119 4.418 9.782 -5.236 1.00 0.00 C ATOM 0 H PHE A1119 6.867 13.630 -4.207 1.00 0.00 H new ATOM 0 HA PHE A1119 7.312 15.024 -6.746 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.854 13.423 -7.926 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.394 12.739 -7.447 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.469 11.186 -5.433 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.808 12.432 -7.226 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.314 9.274 -4.416 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.654 10.527 -6.184 1.00 0.00 H new ATOM 0 HZ PHE A1119 3.914 8.941 -4.783 1.00 0.00 H new ATOM 816 N PRO A1120 5.079 16.116 -6.484 1.00 0.00 N ATOM 817 CA PRO A1120 3.853 16.873 -6.239 1.00 0.00 C ATOM 818 C PRO A1120 2.606 16.085 -6.634 1.00 0.00 C ATOM 819 O PRO A1120 2.457 15.662 -7.781 1.00 0.00 O ATOM 820 CB PRO A1120 4.008 18.117 -7.118 1.00 0.00 C ATOM 821 CG PRO A1120 4.974 17.722 -8.181 1.00 0.00 C ATOM 822 CD PRO A1120 5.895 16.712 -7.558 1.00 0.00 C ATOM 0 HA PRO A1120 3.723 17.107 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.052 18.419 -7.546 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.381 18.964 -6.541 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.455 17.297 -9.040 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.531 18.587 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.216 15.962 -8.281 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.797 17.181 -7.164 1.00 0.00 H new ATOM 830 N VAL A1121 1.709 15.910 -5.672 1.00 0.00 N ATOM 831 CA VAL A1121 0.493 15.125 -5.868 1.00 0.00 C ATOM 832 C VAL A1121 -0.425 15.788 -6.895 1.00 0.00 C ATOM 833 O VAL A1121 -1.258 15.134 -7.521 1.00 0.00 O ATOM 834 CB VAL A1121 -0.262 14.945 -4.531 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.405 13.956 -4.667 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.695 14.498 -3.442 1.00 0.00 C ATOM 0 H VAL A1121 1.802 16.306 -4.737 1.00 0.00 H new ATOM 0 HA VAL A1121 0.787 14.145 -6.243 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.688 15.910 -4.256 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.914 13.854 -3.708 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.111 14.316 -5.416 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.013 12.987 -4.975 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.150 14.375 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.150 13.548 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.474 15.249 -3.312 1.00 0.00 H new ATOM 846 N SER A1122 -0.239 17.085 -7.090 1.00 0.00 N ATOM 847 CA SER A1122 -1.027 17.844 -8.050 1.00 0.00 C ATOM 848 C SER A1122 -0.681 17.428 -9.484 1.00 0.00 C ATOM 849 O SER A1122 -1.371 17.794 -10.436 1.00 0.00 O ATOM 850 CB SER A1122 -0.776 19.344 -7.846 1.00 0.00 C ATOM 851 OG SER A1122 -1.654 20.136 -8.630 1.00 0.00 O ATOM 0 H SER A1122 0.458 17.638 -6.591 1.00 0.00 H new ATOM 0 HA SER A1122 -2.084 17.634 -7.887 1.00 0.00 H new ATOM 0 HB2 SER A1122 -0.903 19.594 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A1122 0.256 19.579 -8.107 1.00 0.00 H new ATOM 0 HG SER A1122 -1.772 19.720 -9.510 1.00 0.00 H new ATOM 857 N PHE A1123 0.386 16.648 -9.630 1.00 0.00 N ATOM 858 CA PHE A1123 0.843 16.214 -10.944 1.00 0.00 C ATOM 859 C PHE A1123 0.530 14.742 -11.191 1.00 0.00 C ATOM 860 O PHE A1123 0.839 14.209 -12.259 1.00 0.00 O ATOM 861 CB PHE A1123 2.352 16.450 -11.087 1.00 0.00 C ATOM 862 CG PHE A1123 2.734 17.886 -11.339 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.415 18.882 -10.429 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.408 18.237 -12.497 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.766 20.198 -10.667 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.761 19.550 -12.743 1.00 0.00 C ATOM 867 CZ PHE A1123 3.438 20.532 -11.827 1.00 0.00 C ATOM 0 H PHE A1123 0.950 16.304 -8.853 1.00 0.00 H new ATOM 0 HA PHE A1123 0.308 16.805 -11.688 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.849 16.108 -10.179 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.728 15.837 -11.906 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.886 18.627 -9.523 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.661 17.474 -13.218 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.515 20.963 -9.947 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.288 19.808 -13.650 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.710 21.560 -12.017 1.00 0.00 H new ATOM 877 N VAL A1124 -0.096 14.085 -10.225 1.00 0.00 N ATOM 878 CA VAL A1124 -0.311 12.647 -10.317 1.00 0.00 C ATOM 879 C VAL A1124 -1.726 12.252 -9.900 1.00 0.00 C ATOM 880 O VAL A1124 -2.367 12.938 -9.105 1.00 0.00 O ATOM 881 CB VAL A1124 0.709 11.870 -9.456 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.131 12.126 -9.930 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.569 12.233 -7.985 1.00 0.00 C ATOM 0 H VAL A1124 -0.461 14.518 -9.377 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.172 12.383 -11.365 1.00 0.00 H new ATOM 0 HB VAL A1124 0.496 10.807 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.829 11.567 -9.306 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.233 11.804 -10.966 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.353 13.191 -9.857 1.00 0.00 H new ATOM 0 HG21 VAL A1124 1.299 11.672 -7.401 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.744 13.301 -7.856 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.436 11.986 -7.643 1.00 0.00 H new ATOM 893 N HIS A1125 -2.205 11.148 -10.460 1.00 0.00 N ATOM 894 CA HIS A1125 -3.534 10.622 -10.158 1.00 0.00 C ATOM 895 C HIS A1125 -3.419 9.318 -9.368 1.00 0.00 C ATOM 896 O HIS A1125 -2.854 8.350 -9.857 1.00 0.00 O ATOM 897 CB HIS A1125 -4.279 10.367 -11.465 1.00 0.00 C ATOM 898 CG HIS A1125 -5.524 11.180 -11.633 1.00 0.00 C ATOM 899 ND1 HIS A1125 -5.569 12.545 -11.465 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.774 10.810 -11.985 1.00 0.00 C ATOM 901 CE1 HIS A1125 -6.787 12.977 -11.712 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.541 11.945 -12.029 1.00 0.00 N ATOM 0 H HIS A1125 -1.684 10.591 -11.137 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.081 11.348 -9.556 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.608 10.575 -12.299 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -4.539 9.310 -11.521 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -7.108 9.804 -12.194 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -7.114 14.005 -11.663 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.532 11.984 -12.268 1.00 0.00 H new ATOM 911 N ILE A1126 -3.966 9.285 -8.162 1.00 0.00 N ATOM 912 CA ILE A1126 -3.773 8.138 -7.269 1.00 0.00 C ATOM 913 C ILE A1126 -4.570 6.917 -7.730 1.00 0.00 C ATOM 914 O ILE A1126 -5.761 7.007 -8.038 1.00 0.00 O ATOM 915 CB ILE A1126 -4.165 8.455 -5.802 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.312 9.582 -5.217 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.039 7.212 -4.926 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.836 10.975 -5.486 1.00 0.00 C ATOM 0 H ILE A1126 -4.544 10.031 -7.775 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.707 7.916 -7.311 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.204 8.783 -5.815 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -3.235 9.439 -4.139 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -2.303 9.503 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.319 7.459 -3.902 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.699 6.432 -5.305 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.009 6.857 -4.945 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.168 11.708 -5.034 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -3.886 11.144 -6.562 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -4.832 11.078 -5.056 1.00 0.00 H new ATOM 930 N LEU A1127 -3.891 5.781 -7.758 1.00 0.00 N ATOM 931 CA LEU A1127 -4.498 4.500 -8.081 1.00 0.00 C ATOM 932 C LEU A1127 -4.679 3.709 -6.793 1.00 0.00 C ATOM 933 O LEU A1127 -3.807 3.738 -5.920 1.00 0.00 O ATOM 934 CB LEU A1127 -3.590 3.700 -9.024 1.00 0.00 C ATOM 935 CG LEU A1127 -2.749 4.535 -9.990 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.780 3.648 -10.754 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.637 5.305 -10.957 1.00 0.00 C ATOM 0 H LEU A1127 -2.893 5.722 -7.555 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.457 4.672 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.919 3.087 -8.422 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.210 3.017 -9.605 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.177 5.255 -9.406 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.189 4.258 -11.437 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.116 3.144 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.338 2.904 -11.323 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.015 5.891 -11.634 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.240 4.604 -11.534 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.292 5.972 -10.397 1.00 0.00 H new