USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=9 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+ 147:sc= -1.63! (180deg=-2.79!) USER MOD Single : A1074 THR OG1 : rot 133:sc= 2.18 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -104:sc= 0.166 USER MOD Single : A1079 GLN : amide:sc= 1.13 K(o=1.1,f=-0.14) USER MOD Single : A1082 ASN : amide:sc= 0.265 K(o=0.26,f=-9.4!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0 USER MOD Single : A1097 THR OG1 : rot 180:sc= -1.61! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A1108 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-4.3!) USER MOD Single : A1112 GLN : amide:sc= -0.492 K(o=-0.49,f=-1.2) USER MOD Single : A1116 LYS NZ :NH3+ -160:sc= -0.0645 (180deg=-0.438) USER MOD Single : A1122 SER OG : rot -29:sc= 0.284 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 -0.567 2.242 -2.262 1.00 0.00 N ATOM 20 CA ARG A1070 -1.084 3.322 -3.091 1.00 0.00 C ATOM 21 C ARG A1070 -0.107 3.648 -4.215 1.00 0.00 C ATOM 22 O ARG A1070 1.101 3.726 -3.996 1.00 0.00 O ATOM 23 CB ARG A1070 -1.330 4.570 -2.236 1.00 0.00 C ATOM 24 CG ARG A1070 -1.727 5.802 -3.034 1.00 0.00 C ATOM 25 CD ARG A1070 -1.998 6.989 -2.124 1.00 0.00 C ATOM 26 NE ARG A1070 -3.208 6.805 -1.322 1.00 0.00 N ATOM 27 CZ ARG A1070 -3.460 7.456 -0.187 1.00 0.00 C ATOM 28 NH1 ARG A1070 -2.567 8.303 0.315 1.00 0.00 N ATOM 29 NH2 ARG A1070 -4.610 7.257 0.449 1.00 0.00 N ATOM 0 HA ARG A1070 -2.027 2.998 -3.531 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -2.114 4.352 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.426 4.793 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -0.932 6.054 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.617 5.584 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -1.145 7.140 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.097 7.892 -2.727 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.903 6.136 -1.653 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -1.683 8.458 -0.169 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -2.766 8.798 1.184 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -5.298 6.607 0.068 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -4.805 7.754 1.318 1.00 0.00 H new ATOM 43 N ARG A1071 -0.630 3.837 -5.415 1.00 0.00 N ATOM 44 CA ARG A1071 0.185 4.216 -6.550 1.00 0.00 C ATOM 45 C ARG A1071 -0.371 5.493 -7.146 1.00 0.00 C ATOM 46 O ARG A1071 -1.457 5.926 -6.775 1.00 0.00 O ATOM 47 CB ARG A1071 0.199 3.111 -7.608 1.00 0.00 C ATOM 48 CG ARG A1071 0.796 1.798 -7.124 1.00 0.00 C ATOM 49 CD ARG A1071 0.895 0.779 -8.250 1.00 0.00 C ATOM 50 NE ARG A1071 -0.412 0.460 -8.823 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.615 0.169 -10.106 1.00 0.00 C ATOM 52 NH1 ARG A1071 0.404 0.130 -10.960 1.00 0.00 N ATOM 53 NH2 ARG A1071 -1.845 -0.093 -10.525 1.00 0.00 N ATOM 0 H ARG A1071 -1.622 3.733 -5.626 1.00 0.00 H new ATOM 0 HA ARG A1071 1.210 4.373 -6.215 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -0.822 2.932 -7.945 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.764 3.458 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG A1071 1.787 1.980 -6.709 1.00 0.00 H new ATOM 0 HG3 ARG A1071 0.182 1.393 -6.319 1.00 0.00 H new ATOM 0 HD2 ARG A1071 1.548 1.167 -9.032 1.00 0.00 H new ATOM 0 HD3 ARG A1071 1.357 -0.133 -7.872 1.00 0.00 H new ATOM 0 HE ARG A1071 -1.220 0.460 -8.200 1.00 0.00 H new ATOM 0 HH11 ARG A1071 1.351 0.324 -10.634 1.00 0.00 H new ATOM 0 HH12 ARG A1071 0.239 -0.094 -11.941 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -2.624 -0.070 -9.867 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -2.013 -0.317 -11.506 1.00 0.00 H new ATOM 67 N VAL A1072 0.374 6.103 -8.044 1.00 0.00 N ATOM 68 CA VAL A1072 -0.085 7.286 -8.747 1.00 0.00 C ATOM 69 C VAL A1072 0.366 7.225 -10.205 1.00 0.00 C ATOM 70 O VAL A1072 1.435 6.703 -10.510 1.00 0.00 O ATOM 71 CB VAL A1072 0.443 8.592 -8.104 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.122 8.781 -6.706 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.962 8.606 -8.070 1.00 0.00 C ATOM 0 H VAL A1072 1.310 5.796 -8.307 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.173 7.300 -8.684 1.00 0.00 H new ATOM 0 HB VAL A1072 0.107 9.424 -8.722 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.266 9.706 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.210 8.833 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.172 7.940 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.307 9.534 -7.614 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.321 7.759 -7.485 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.349 8.535 -9.086 1.00 0.00 H new ATOM 83 N LYS A1073 -0.459 7.739 -11.093 1.00 0.00 N ATOM 84 CA LYS A1073 -0.149 7.779 -12.507 1.00 0.00 C ATOM 85 C LYS A1073 -0.048 9.233 -12.929 1.00 0.00 C ATOM 86 O LYS A1073 -1.045 9.951 -12.961 1.00 0.00 O ATOM 87 CB LYS A1073 -1.237 7.038 -13.292 1.00 0.00 C ATOM 88 CG LYS A1073 -0.730 6.338 -14.536 1.00 0.00 C ATOM 89 CD LYS A1073 -0.868 7.193 -15.778 1.00 0.00 C ATOM 90 CE LYS A1073 -0.301 6.476 -16.986 1.00 0.00 C ATOM 91 NZ LYS A1073 -0.627 7.188 -18.249 1.00 0.00 N ATOM 0 H LYS A1073 -1.365 8.142 -10.854 1.00 0.00 H new ATOM 0 HA LYS A1073 0.800 7.284 -12.713 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.705 6.302 -12.638 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.012 7.749 -13.578 1.00 0.00 H new ATOM 0 HG2 LYS A1073 0.318 6.070 -14.397 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.281 5.408 -14.676 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.918 7.429 -15.949 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.348 8.140 -15.633 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.781 6.391 -16.885 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.698 5.462 -17.027 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.150 7.063 -18.929 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.504 6.799 -18.650 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -0.755 8.201 -18.053 1.00 0.00 H new ATOM 105 N THR A1074 1.167 9.663 -13.198 1.00 0.00 N ATOM 106 CA THR A1074 1.458 11.064 -13.453 1.00 0.00 C ATOM 107 C THR A1074 0.640 11.619 -14.617 1.00 0.00 C ATOM 108 O THR A1074 0.552 11.011 -15.687 1.00 0.00 O ATOM 109 CB THR A1074 2.957 11.260 -13.733 1.00 0.00 C ATOM 110 OG1 THR A1074 3.331 10.552 -14.917 1.00 0.00 O ATOM 111 CG2 THR A1074 3.781 10.755 -12.561 1.00 0.00 C ATOM 0 H THR A1074 1.983 9.053 -13.247 1.00 0.00 H new ATOM 0 HA THR A1074 1.179 11.616 -12.556 1.00 0.00 H new ATOM 0 HB THR A1074 3.147 12.324 -13.873 1.00 0.00 H new ATOM 0 HG1 THR A1074 3.868 11.136 -15.492 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.841 10.900 -12.772 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.511 11.308 -11.661 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.583 9.694 -12.407 1.00 0.00 H new ATOM 119 N ILE A1075 0.042 12.778 -14.392 1.00 0.00 N ATOM 120 CA ILE A1075 -0.770 13.433 -15.403 1.00 0.00 C ATOM 121 C ILE A1075 -0.133 14.755 -15.826 1.00 0.00 C ATOM 122 O ILE A1075 -0.647 15.455 -16.700 1.00 0.00 O ATOM 123 CB ILE A1075 -2.214 13.675 -14.900 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.195 14.302 -13.500 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.004 12.370 -14.902 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.566 14.450 -12.872 1.00 0.00 C ATOM 0 H ILE A1075 0.105 13.287 -13.510 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.820 12.770 -16.267 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.708 14.372 -15.577 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.572 13.690 -12.848 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.726 15.284 -13.559 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.017 12.557 -14.546 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.044 11.970 -15.915 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.516 11.649 -14.246 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.467 14.901 -11.884 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.187 15.087 -13.501 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.031 13.469 -12.778 1.00 0.00 H new ATOM 138 N TYR A1076 0.992 15.083 -15.199 1.00 0.00 N ATOM 139 CA TYR A1076 1.742 16.290 -15.524 1.00 0.00 C ATOM 140 C TYR A1076 3.240 16.009 -15.480 1.00 0.00 C ATOM 141 O TYR A1076 3.706 15.188 -14.691 1.00 0.00 O ATOM 142 CB TYR A1076 1.404 17.425 -14.553 1.00 0.00 C ATOM 143 CG TYR A1076 0.025 18.017 -14.748 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.254 18.821 -15.845 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.993 17.779 -13.832 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.507 19.374 -16.023 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.250 18.326 -14.005 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.501 19.123 -15.101 1.00 0.00 C ATOM 149 OH TYR A1076 -3.750 19.675 -15.277 1.00 0.00 O ATOM 0 H TYR A1076 1.407 14.522 -14.455 1.00 0.00 H new ATOM 0 HA TYR A1076 1.461 16.598 -16.531 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.486 17.052 -13.532 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.146 18.216 -14.664 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.521 19.017 -16.571 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.798 17.156 -12.971 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.707 20.000 -16.880 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -3.031 18.130 -13.286 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.336 19.400 -14.541 1.00 0.00 H new ATOM 159 N ASP A1077 3.976 16.678 -16.360 1.00 0.00 N ATOM 160 CA ASP A1077 5.432 16.576 -16.409 1.00 0.00 C ATOM 161 C ASP A1077 6.074 17.225 -15.192 1.00 0.00 C ATOM 162 O ASP A1077 5.705 18.334 -14.807 1.00 0.00 O ATOM 163 CB ASP A1077 5.953 17.253 -17.680 1.00 0.00 C ATOM 164 CG ASP A1077 7.463 17.402 -17.708 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.151 16.443 -18.119 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.963 18.489 -17.343 1.00 0.00 O ATOM 0 H ASP A1077 3.582 17.306 -17.060 1.00 0.00 H new ATOM 0 HA ASP A1077 5.697 15.519 -16.413 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.636 16.674 -18.547 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.496 18.239 -17.771 1.00 0.00 H new ATOM 171 N CYS A1078 7.028 16.529 -14.592 1.00 0.00 N ATOM 172 CA CYS A1078 7.781 17.080 -13.481 1.00 0.00 C ATOM 173 C CYS A1078 9.273 16.931 -13.738 1.00 0.00 C ATOM 174 O CYS A1078 9.869 15.885 -13.455 1.00 0.00 O ATOM 175 CB CYS A1078 7.399 16.399 -12.171 1.00 0.00 C ATOM 176 SG CYS A1078 8.379 16.914 -10.740 1.00 0.00 S ATOM 0 H CYS A1078 7.297 15.582 -14.858 1.00 0.00 H new ATOM 0 HA CYS A1078 7.539 18.139 -13.394 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.347 16.600 -11.966 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.500 15.321 -12.295 1.00 0.00 H new ATOM 0 HG CYS A1078 9.242 15.986 -10.448 1.00 0.00 H new ATOM 182 N GLN A1079 9.866 17.971 -14.293 1.00 0.00 N ATOM 183 CA GLN A1079 11.298 18.006 -14.512 1.00 0.00 C ATOM 184 C GLN A1079 11.997 18.486 -13.251 1.00 0.00 C ATOM 185 O GLN A1079 12.216 19.680 -13.050 1.00 0.00 O ATOM 186 CB GLN A1079 11.629 18.895 -15.707 1.00 0.00 C ATOM 187 CG GLN A1079 11.356 18.214 -17.037 1.00 0.00 C ATOM 188 CD GLN A1079 11.293 19.182 -18.195 1.00 0.00 C ATOM 189 OE1 GLN A1079 12.310 19.509 -18.807 1.00 0.00 O ATOM 190 NE2 GLN A1079 10.094 19.622 -18.521 1.00 0.00 N ATOM 0 H GLN A1079 9.373 18.809 -14.602 1.00 0.00 H new ATOM 0 HA GLN A1079 11.656 17.002 -14.739 1.00 0.00 H new ATOM 0 HB2 GLN A1079 11.043 19.812 -15.646 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.679 19.184 -15.660 1.00 0.00 H new ATOM 0 HG2 GLN A1079 12.136 17.478 -17.229 1.00 0.00 H new ATOM 0 HG3 GLN A1079 10.413 17.670 -16.974 1.00 0.00 H new ATOM 0 HE21 GLN A1079 9.279 19.324 -17.985 1.00 0.00 H new ATOM 0 HE22 GLN A1079 9.982 20.260 -19.309 1.00 0.00 H new ATOM 199 N ALA A1080 12.310 17.524 -12.399 1.00 0.00 N ATOM 200 CA ALA A1080 12.935 17.779 -11.113 1.00 0.00 C ATOM 201 C ALA A1080 14.316 18.395 -11.271 1.00 0.00 C ATOM 202 O ALA A1080 15.153 17.895 -12.025 1.00 0.00 O ATOM 203 CB ALA A1080 13.031 16.482 -10.338 1.00 0.00 C ATOM 0 H ALA A1080 12.136 16.536 -12.583 1.00 0.00 H new ATOM 0 HA ALA A1080 12.318 18.494 -10.569 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.500 16.669 -9.372 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.031 16.076 -10.184 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.631 15.766 -10.900 1.00 0.00 H new ATOM 209 N ASP A1081 14.534 19.492 -10.569 1.00 0.00 N ATOM 210 CA ASP A1081 15.837 20.133 -10.531 1.00 0.00 C ATOM 211 C ASP A1081 16.665 19.586 -9.380 1.00 0.00 C ATOM 212 O ASP A1081 17.833 19.237 -9.553 1.00 0.00 O ATOM 213 CB ASP A1081 15.686 21.647 -10.389 1.00 0.00 C ATOM 214 CG ASP A1081 17.012 22.344 -10.155 1.00 0.00 C ATOM 215 OD1 ASP A1081 17.734 22.605 -11.140 1.00 0.00 O ATOM 216 OD2 ASP A1081 17.333 22.639 -8.984 1.00 0.00 O ATOM 0 H ASP A1081 13.819 19.961 -10.013 1.00 0.00 H new ATOM 0 HA ASP A1081 16.350 19.917 -11.468 1.00 0.00 H new ATOM 0 HB2 ASP A1081 15.222 22.049 -11.290 1.00 0.00 H new ATOM 0 HB3 ASP A1081 15.013 21.865 -9.560 1.00 0.00 H new ATOM 221 N ASN A1082 16.048 19.486 -8.208 1.00 0.00 N ATOM 222 CA ASN A1082 16.737 18.999 -7.023 1.00 0.00 C ATOM 223 C ASN A1082 16.725 17.479 -7.045 1.00 0.00 C ATOM 224 O ASN A1082 15.707 16.864 -7.356 1.00 0.00 O ATOM 225 CB ASN A1082 16.049 19.544 -5.758 1.00 0.00 C ATOM 226 CG ASN A1082 16.790 19.224 -4.462 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.371 18.151 -4.295 1.00 0.00 O ATOM 228 ND2 ASN A1082 16.775 20.166 -3.530 1.00 0.00 N ATOM 0 H ASN A1082 15.071 19.736 -8.055 1.00 0.00 H new ATOM 0 HA ASN A1082 17.770 19.345 -7.015 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.948 20.625 -5.849 1.00 0.00 H new ATOM 0 HB3 ASN A1082 15.041 19.133 -5.699 1.00 0.00 H new ATOM 0 HD21 ASN A1082 17.254 20.013 -2.643 1.00 0.00 H new ATOM 0 HD22 ASN A1082 16.284 21.044 -3.700 1.00 0.00 H new ATOM 235 N ASP A1083 17.875 16.887 -6.744 1.00 0.00 N ATOM 236 CA ASP A1083 18.053 15.435 -6.792 1.00 0.00 C ATOM 237 C ASP A1083 17.082 14.713 -5.860 1.00 0.00 C ATOM 238 O ASP A1083 16.789 13.534 -6.050 1.00 0.00 O ATOM 239 CB ASP A1083 19.494 15.076 -6.424 1.00 0.00 C ATOM 240 CG ASP A1083 19.780 13.594 -6.566 1.00 0.00 C ATOM 241 OD1 ASP A1083 20.005 13.135 -7.710 1.00 0.00 O ATOM 242 OD2 ASP A1083 19.787 12.882 -5.542 1.00 0.00 O ATOM 0 H ASP A1083 18.711 17.397 -6.460 1.00 0.00 H new ATOM 0 HA ASP A1083 17.841 15.107 -7.810 1.00 0.00 H new ATOM 0 HB2 ASP A1083 20.178 15.637 -7.061 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.690 15.383 -5.397 1.00 0.00 H new ATOM 247 N ASP A1084 16.579 15.430 -4.860 1.00 0.00 N ATOM 248 CA ASP A1084 15.648 14.849 -3.895 1.00 0.00 C ATOM 249 C ASP A1084 14.227 14.855 -4.458 1.00 0.00 C ATOM 250 O ASP A1084 13.323 14.209 -3.924 1.00 0.00 O ATOM 251 CB ASP A1084 15.711 15.613 -2.572 1.00 0.00 C ATOM 252 CG ASP A1084 15.055 14.859 -1.430 1.00 0.00 C ATOM 253 OD1 ASP A1084 15.101 13.609 -1.433 1.00 0.00 O ATOM 254 OD2 ASP A1084 14.519 15.511 -0.508 1.00 0.00 O ATOM 0 H ASP A1084 16.799 16.412 -4.696 1.00 0.00 H new ATOM 0 HA ASP A1084 15.937 13.815 -3.707 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.753 15.811 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A1084 15.223 16.580 -2.692 1.00 0.00 H new ATOM 259 N GLU A1085 14.045 15.589 -5.546 1.00 0.00 N ATOM 260 CA GLU A1085 12.793 15.584 -6.288 1.00 0.00 C ATOM 261 C GLU A1085 12.843 14.468 -7.321 1.00 0.00 C ATOM 262 O GLU A1085 13.912 14.169 -7.854 1.00 0.00 O ATOM 263 CB GLU A1085 12.585 16.918 -7.011 1.00 0.00 C ATOM 264 CG GLU A1085 12.381 18.117 -6.109 1.00 0.00 C ATOM 265 CD GLU A1085 12.191 19.387 -6.915 1.00 0.00 C ATOM 266 OE1 GLU A1085 13.200 19.978 -7.358 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.030 19.788 -7.140 1.00 0.00 O ATOM 0 H GLU A1085 14.759 16.203 -5.938 1.00 0.00 H new ATOM 0 HA GLU A1085 11.969 15.431 -5.591 1.00 0.00 H new ATOM 0 HB2 GLU A1085 13.449 17.106 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.719 16.826 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.510 17.953 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.241 18.228 -5.448 1.00 0.00 H new ATOM 274 N LEU A1086 11.709 13.857 -7.617 1.00 0.00 N ATOM 275 CA LEU A1086 11.684 12.812 -8.626 1.00 0.00 C ATOM 276 C LEU A1086 11.423 13.395 -10.006 1.00 0.00 C ATOM 277 O LEU A1086 10.584 14.285 -10.180 1.00 0.00 O ATOM 278 CB LEU A1086 10.638 11.742 -8.323 1.00 0.00 C ATOM 279 CG LEU A1086 10.560 10.643 -9.387 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.901 9.946 -9.534 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.480 9.637 -9.062 1.00 0.00 C ATOM 0 H LEU A1086 10.809 14.061 -7.183 1.00 0.00 H new ATOM 0 HA LEU A1086 12.667 12.342 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.864 11.287 -7.359 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.661 12.217 -8.230 1.00 0.00 H new ATOM 0 HG LEU A1086 10.304 11.117 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.826 9.169 -10.294 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.658 10.672 -9.831 1.00 0.00 H new ATOM 0 HD13 LEU A1086 12.184 9.496 -8.582 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.451 8.871 -9.837 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.694 9.172 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.515 10.142 -9.015 1.00 0.00 H new ATOM 293 N THR A1087 12.145 12.879 -10.984 1.00 0.00 N ATOM 294 CA THR A1087 11.985 13.295 -12.358 1.00 0.00 C ATOM 295 C THR A1087 11.084 12.304 -13.088 1.00 0.00 C ATOM 296 O THR A1087 11.348 11.099 -13.085 1.00 0.00 O ATOM 297 CB THR A1087 13.350 13.368 -13.067 1.00 0.00 C ATOM 298 OG1 THR A1087 14.400 13.482 -12.091 1.00 0.00 O ATOM 299 CG2 THR A1087 13.402 14.563 -14.010 1.00 0.00 C ATOM 0 H THR A1087 12.856 12.161 -10.845 1.00 0.00 H new ATOM 0 HA THR A1087 11.532 14.286 -12.372 1.00 0.00 H new ATOM 0 HB THR A1087 13.486 12.456 -13.648 1.00 0.00 H new ATOM 0 HG1 THR A1087 15.267 13.526 -12.546 1.00 0.00 H new ATOM 0 HG21 THR A1087 14.374 14.597 -14.501 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.619 14.467 -14.762 1.00 0.00 H new ATOM 0 HG23 THR A1087 13.250 15.481 -13.443 1.00 0.00 H new ATOM 307 N PHE A1088 10.011 12.801 -13.678 1.00 0.00 N ATOM 308 CA PHE A1088 9.081 11.955 -14.410 1.00 0.00 C ATOM 309 C PHE A1088 8.320 12.777 -15.441 1.00 0.00 C ATOM 310 O PHE A1088 8.342 14.008 -15.399 1.00 0.00 O ATOM 311 CB PHE A1088 8.094 11.269 -13.453 1.00 0.00 C ATOM 312 CG PHE A1088 7.276 12.218 -12.619 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.200 12.896 -13.169 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.580 12.424 -11.284 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.444 13.763 -12.406 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.828 13.289 -10.515 1.00 0.00 C ATOM 317 CZ PHE A1088 5.757 13.959 -11.077 1.00 0.00 C ATOM 0 H PHE A1088 9.760 13.790 -13.665 1.00 0.00 H new ATOM 0 HA PHE A1088 9.656 11.184 -14.923 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.419 10.641 -14.035 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.651 10.608 -12.789 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.949 12.744 -14.209 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.415 11.902 -10.840 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.609 14.287 -12.849 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.076 13.442 -9.475 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.166 14.635 -10.476 1.00 0.00 H new ATOM 327 N ILE A1089 7.655 12.095 -16.364 1.00 0.00 N ATOM 328 CA ILE A1089 6.807 12.762 -17.344 1.00 0.00 C ATOM 329 C ILE A1089 5.399 12.182 -17.284 1.00 0.00 C ATOM 330 O ILE A1089 5.170 11.170 -16.611 1.00 0.00 O ATOM 331 CB ILE A1089 7.346 12.655 -18.800 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.147 11.245 -19.386 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.814 13.057 -18.856 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.002 10.175 -18.744 1.00 0.00 C ATOM 0 H ILE A1089 7.686 11.080 -16.455 1.00 0.00 H new ATOM 0 HA ILE A1089 6.802 13.820 -17.083 1.00 0.00 H new ATOM 0 HB ILE A1089 6.768 13.346 -19.414 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.098 10.966 -19.282 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.364 11.275 -20.454 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.174 12.976 -19.881 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.923 14.086 -18.513 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.397 12.397 -18.214 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.798 9.214 -19.217 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.055 10.426 -18.871 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.770 10.113 -17.681 1.00 0.00 H new ATOM 346 N GLU A1090 4.466 12.828 -17.972 1.00 0.00 N ATOM 347 CA GLU A1090 3.081 12.383 -18.012 1.00 0.00 C ATOM 348 C GLU A1090 2.983 10.945 -18.509 1.00 0.00 C ATOM 349 O GLU A1090 3.340 10.642 -19.650 1.00 0.00 O ATOM 350 CB GLU A1090 2.242 13.285 -18.927 1.00 0.00 C ATOM 351 CG GLU A1090 2.447 14.778 -18.704 1.00 0.00 C ATOM 352 CD GLU A1090 3.532 15.367 -19.589 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.673 14.861 -19.565 1.00 0.00 O ATOM 354 OE2 GLU A1090 3.247 16.334 -20.320 1.00 0.00 O ATOM 0 H GLU A1090 4.648 13.672 -18.516 1.00 0.00 H new ATOM 0 HA GLU A1090 2.694 12.439 -16.995 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.479 13.050 -19.964 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.188 13.050 -18.780 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.509 15.300 -18.893 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.704 14.952 -17.659 1.00 0.00 H new ATOM 361 N GLY A1091 2.510 10.062 -17.648 1.00 0.00 N ATOM 362 CA GLY A1091 2.306 8.689 -18.044 1.00 0.00 C ATOM 363 C GLY A1091 3.137 7.712 -17.244 1.00 0.00 C ATOM 364 O GLY A1091 3.046 6.504 -17.448 1.00 0.00 O ATOM 0 H GLY A1091 2.263 10.272 -16.681 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.251 8.437 -17.931 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.548 8.582 -19.101 1.00 0.00 H new ATOM 368 N GLU A1092 3.933 8.223 -16.323 1.00 0.00 N ATOM 369 CA GLU A1092 4.737 7.365 -15.474 1.00 0.00 C ATOM 370 C GLU A1092 3.967 6.996 -14.221 1.00 0.00 C ATOM 371 O GLU A1092 3.207 7.800 -13.685 1.00 0.00 O ATOM 372 CB GLU A1092 6.059 8.035 -15.106 1.00 0.00 C ATOM 373 CG GLU A1092 7.049 8.072 -16.254 1.00 0.00 C ATOM 374 CD GLU A1092 7.314 6.696 -16.829 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.854 5.839 -16.104 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.966 6.454 -18.008 1.00 0.00 O ATOM 0 H GLU A1092 4.040 9.222 -16.145 1.00 0.00 H new ATOM 0 HA GLU A1092 4.964 6.456 -16.031 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.862 9.054 -14.771 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.506 7.504 -14.266 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.667 8.724 -17.039 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.987 8.506 -15.908 1.00 0.00 H new ATOM 383 N VAL A1093 4.148 5.771 -13.772 1.00 0.00 N ATOM 384 CA VAL A1093 3.470 5.299 -12.585 1.00 0.00 C ATOM 385 C VAL A1093 4.441 5.224 -11.418 1.00 0.00 C ATOM 386 O VAL A1093 5.519 4.634 -11.513 1.00 0.00 O ATOM 387 CB VAL A1093 2.814 3.928 -12.814 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.234 3.380 -11.521 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.739 4.018 -13.882 1.00 0.00 C ATOM 0 H VAL A1093 4.760 5.084 -14.213 1.00 0.00 H new ATOM 0 HA VAL A1093 2.680 6.013 -12.351 1.00 0.00 H new ATOM 0 HB VAL A1093 3.586 3.240 -13.159 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.776 2.409 -11.710 1.00 0.00 H new ATOM 0 HG12 VAL A1093 3.029 3.268 -10.784 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.480 4.069 -11.140 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.288 3.036 -14.028 1.00 0.00 H new ATOM 0 HG22 VAL A1093 0.973 4.726 -13.568 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.184 4.356 -14.818 1.00 0.00 H new ATOM 399 N ILE A1094 4.042 5.836 -10.327 1.00 0.00 N ATOM 400 CA ILE A1094 4.862 5.915 -9.135 1.00 0.00 C ATOM 401 C ILE A1094 4.180 5.186 -7.993 1.00 0.00 C ATOM 402 O ILE A1094 2.971 5.295 -7.815 1.00 0.00 O ATOM 403 CB ILE A1094 5.101 7.384 -8.710 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.693 8.196 -9.861 1.00 0.00 C ATOM 405 CG2 ILE A1094 6.012 7.454 -7.491 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.880 9.661 -9.530 1.00 0.00 C ATOM 0 H ILE A1094 3.136 6.296 -10.239 1.00 0.00 H new ATOM 0 HA ILE A1094 5.823 5.453 -9.363 1.00 0.00 H new ATOM 0 HB ILE A1094 4.136 7.816 -8.446 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.656 7.768 -10.140 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.042 8.108 -10.731 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.166 8.496 -7.211 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.551 6.919 -6.661 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.973 6.997 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.304 10.177 -10.391 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.916 10.103 -9.280 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.555 9.759 -8.680 1.00 0.00 H new ATOM 418 N ILE A1095 4.942 4.428 -7.234 1.00 0.00 N ATOM 419 CA ILE A1095 4.416 3.819 -6.030 1.00 0.00 C ATOM 420 C ILE A1095 4.712 4.712 -4.844 1.00 0.00 C ATOM 421 O ILE A1095 5.873 5.003 -4.552 1.00 0.00 O ATOM 422 CB ILE A1095 4.991 2.410 -5.777 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.475 1.440 -6.839 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.637 1.918 -4.379 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.855 -0.001 -6.592 1.00 0.00 C ATOM 0 H ILE A1095 5.922 4.219 -7.427 1.00 0.00 H new ATOM 0 HA ILE A1095 3.340 3.707 -6.164 1.00 0.00 H new ATOM 0 HB ILE A1095 6.078 2.461 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.389 1.515 -6.888 1.00 0.00 H new ATOM 0 HG13 ILE A1095 4.860 1.745 -7.812 1.00 0.00 H new ATOM 0 HG21 ILE A1095 5.054 0.923 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A1095 5.050 2.602 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.553 1.877 -4.271 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.452 -0.625 -7.389 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.941 -0.093 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.447 -0.326 -5.635 1.00 0.00 H new ATOM 437 N VAL A1096 3.656 5.168 -4.191 1.00 0.00 N ATOM 438 CA VAL A1096 3.784 6.015 -3.025 1.00 0.00 C ATOM 439 C VAL A1096 4.344 5.212 -1.859 1.00 0.00 C ATOM 440 O VAL A1096 3.679 4.328 -1.316 1.00 0.00 O ATOM 441 CB VAL A1096 2.427 6.632 -2.631 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.585 7.547 -1.425 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.823 7.388 -3.806 1.00 0.00 C ATOM 0 H VAL A1096 2.693 4.961 -4.455 1.00 0.00 H new ATOM 0 HA VAL A1096 4.468 6.827 -3.271 1.00 0.00 H new ATOM 0 HB VAL A1096 1.747 5.824 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.617 7.973 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A1096 2.970 6.974 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.281 8.350 -1.666 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.866 7.817 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.499 8.187 -4.111 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.671 6.703 -4.640 1.00 0.00 H new ATOM 453 N THR A1097 5.574 5.516 -1.494 1.00 0.00 N ATOM 454 CA THR A1097 6.261 4.786 -0.452 1.00 0.00 C ATOM 455 C THR A1097 6.296 5.602 0.841 1.00 0.00 C ATOM 456 O THR A1097 6.552 5.070 1.925 1.00 0.00 O ATOM 457 CB THR A1097 7.693 4.424 -0.903 1.00 0.00 C ATOM 458 OG1 THR A1097 8.392 5.607 -1.307 1.00 0.00 O ATOM 459 CG2 THR A1097 7.667 3.435 -2.066 1.00 0.00 C ATOM 0 H THR A1097 6.120 6.271 -1.909 1.00 0.00 H new ATOM 0 HA THR A1097 5.715 3.862 -0.260 1.00 0.00 H new ATOM 0 HB THR A1097 8.205 3.961 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.300 5.370 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.688 3.197 -2.364 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.157 2.523 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.137 3.878 -2.909 1.00 0.00 H new ATOM 467 N GLY A1098 6.021 6.896 0.719 1.00 0.00 N ATOM 468 CA GLY A1098 5.977 7.772 1.873 1.00 0.00 C ATOM 469 C GLY A1098 5.275 9.079 1.564 1.00 0.00 C ATOM 470 O GLY A1098 4.885 9.323 0.424 1.00 0.00 O ATOM 0 H GLY A1098 5.826 7.357 -0.170 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.463 7.268 2.692 1.00 0.00 H new ATOM 0 HA3 GLY A1098 6.992 7.977 2.212 1.00 0.00 H new ATOM 474 N GLU A1099 5.104 9.918 2.574 1.00 0.00 N ATOM 475 CA GLU A1099 4.450 11.210 2.404 1.00 0.00 C ATOM 476 C GLU A1099 5.240 12.295 3.117 1.00 0.00 C ATOM 477 O GLU A1099 5.840 12.048 4.162 1.00 0.00 O ATOM 478 CB GLU A1099 3.032 11.171 2.972 1.00 0.00 C ATOM 479 CG GLU A1099 2.134 10.142 2.316 1.00 0.00 C ATOM 480 CD GLU A1099 0.754 10.109 2.933 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.633 9.685 4.101 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.214 10.505 2.252 1.00 0.00 O ATOM 0 H GLU A1099 5.411 9.727 3.528 1.00 0.00 H new ATOM 0 HA GLU A1099 4.405 11.430 1.337 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.085 10.963 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.580 12.157 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A1099 2.049 10.363 1.252 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.592 9.156 2.401 1.00 0.00 H new ATOM 489 N GLU A1100 5.236 13.489 2.552 1.00 0.00 N ATOM 490 CA GLU A1100 5.887 14.632 3.176 1.00 0.00 C ATOM 491 C GLU A1100 4.848 15.662 3.563 1.00 0.00 C ATOM 492 O GLU A1100 4.906 16.262 4.634 1.00 0.00 O ATOM 493 CB GLU A1100 6.902 15.269 2.228 1.00 0.00 C ATOM 494 CG GLU A1100 8.148 14.435 2.029 1.00 0.00 C ATOM 495 CD GLU A1100 8.945 14.279 3.309 1.00 0.00 C ATOM 496 OE1 GLU A1100 8.675 13.330 4.070 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.849 15.107 3.555 1.00 0.00 O ATOM 0 H GLU A1100 4.788 13.695 1.659 1.00 0.00 H new ATOM 0 HA GLU A1100 6.413 14.282 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.428 15.437 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.187 16.246 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.868 13.450 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.775 14.898 1.267 1.00 0.00 H new ATOM 504 N ASP A1101 3.893 15.851 2.675 1.00 0.00 N ATOM 505 CA ASP A1101 2.840 16.827 2.881 1.00 0.00 C ATOM 506 C ASP A1101 1.563 16.343 2.200 1.00 0.00 C ATOM 507 O ASP A1101 1.454 15.165 1.856 1.00 0.00 O ATOM 508 CB ASP A1101 3.274 18.187 2.318 1.00 0.00 C ATOM 509 CG ASP A1101 2.494 19.345 2.904 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.890 19.849 3.974 1.00 0.00 O ATOM 511 OD2 ASP A1101 1.486 19.757 2.299 1.00 0.00 O ATOM 0 H ASP A1101 3.824 15.337 1.797 1.00 0.00 H new ATOM 0 HA ASP A1101 2.648 16.943 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.336 18.334 2.516 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.149 18.183 1.235 1.00 0.00 H new ATOM 516 N GLN A1102 0.607 17.231 2.000 1.00 0.00 N ATOM 517 CA GLN A1102 -0.624 16.873 1.321 1.00 0.00 C ATOM 518 C GLN A1102 -0.407 16.900 -0.187 1.00 0.00 C ATOM 519 O GLN A1102 -1.022 16.133 -0.927 1.00 0.00 O ATOM 520 CB GLN A1102 -1.746 17.832 1.715 1.00 0.00 C ATOM 521 CG GLN A1102 -3.079 17.531 1.049 1.00 0.00 C ATOM 522 CD GLN A1102 -4.115 18.600 1.323 1.00 0.00 C ATOM 523 OE1 GLN A1102 -4.098 19.246 2.369 1.00 0.00 O ATOM 524 NE2 GLN A1102 -5.032 18.792 0.392 1.00 0.00 N ATOM 0 H GLN A1102 0.659 18.205 2.298 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.914 15.865 1.619 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.876 17.798 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -1.446 18.849 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.932 17.439 -0.027 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -3.450 16.569 1.404 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -5.014 18.237 -0.463 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -5.758 19.496 0.528 1.00 0.00 H new ATOM 533 N GLU A1103 0.498 17.764 -0.634 1.00 0.00 N ATOM 534 CA GLU A1103 0.766 17.906 -2.057 1.00 0.00 C ATOM 535 C GLU A1103 2.173 17.440 -2.390 1.00 0.00 C ATOM 536 O GLU A1103 2.671 17.665 -3.490 1.00 0.00 O ATOM 537 CB GLU A1103 0.564 19.351 -2.526 1.00 0.00 C ATOM 538 CG GLU A1103 1.266 20.393 -1.672 1.00 0.00 C ATOM 539 CD GLU A1103 1.430 21.715 -2.394 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.415 22.282 -2.848 1.00 0.00 O ATOM 541 OE2 GLU A1103 2.581 22.175 -2.545 1.00 0.00 O ATOM 0 H GLU A1103 1.055 18.373 -0.034 1.00 0.00 H new ATOM 0 HA GLU A1103 0.052 17.276 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.921 19.440 -3.552 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.504 19.570 -2.539 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.698 20.551 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.247 20.018 -1.379 1.00 0.00 H new ATOM 548 N TRP A1104 2.796 16.762 -1.441 1.00 0.00 N ATOM 549 CA TRP A1104 4.157 16.269 -1.618 1.00 0.00 C ATOM 550 C TRP A1104 4.306 14.885 -1.028 1.00 0.00 C ATOM 551 O TRP A1104 4.321 14.714 0.191 1.00 0.00 O ATOM 552 CB TRP A1104 5.171 17.216 -0.977 1.00 0.00 C ATOM 553 CG TRP A1104 5.212 18.540 -1.656 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.471 19.636 -1.343 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.015 18.899 -2.785 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.757 20.657 -2.211 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.709 20.234 -3.102 1.00 0.00 C ATOM 558 CE3 TRP A1104 6.969 18.222 -3.553 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.316 20.904 -4.161 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.572 18.888 -4.603 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.245 20.220 -4.895 1.00 0.00 C ATOM 0 H TRP A1104 2.382 16.538 -0.536 1.00 0.00 H new ATOM 0 HA TRP A1104 4.354 16.220 -2.689 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.920 17.357 0.074 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.161 16.762 -1.010 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.762 19.693 -0.530 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.330 21.583 -2.196 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.229 17.198 -3.329 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.062 21.927 -4.394 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.306 18.375 -5.207 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.738 20.717 -5.718 1.00 0.00 H new ATOM 572 N TRP A1105 4.391 13.894 -1.892 1.00 0.00 N ATOM 573 CA TRP A1105 4.581 12.527 -1.447 1.00 0.00 C ATOM 574 C TRP A1105 5.951 12.019 -1.863 1.00 0.00 C ATOM 575 O TRP A1105 6.630 12.637 -2.682 1.00 0.00 O ATOM 576 CB TRP A1105 3.492 11.616 -2.016 1.00 0.00 C ATOM 577 CG TRP A1105 2.107 11.964 -1.556 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.757 12.832 -0.559 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.882 11.442 -2.079 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.396 12.877 -0.428 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.169 12.032 -1.351 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.573 10.532 -3.090 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.508 11.740 -1.612 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.752 10.244 -3.345 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.777 10.846 -2.608 1.00 0.00 C ATOM 0 H TRP A1105 4.332 14.008 -2.904 1.00 0.00 H new ATOM 0 HA TRP A1105 4.514 12.512 -0.359 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.525 11.662 -3.105 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.710 10.586 -1.734 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.454 13.400 0.039 1.00 0.00 H new ATOM 0 HE1 TRP A1105 -0.116 13.446 0.246 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.358 10.061 -3.663 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.303 12.204 -1.047 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.002 9.542 -4.127 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.804 10.598 -2.832 1.00 0.00 H new ATOM 596 N ILE A1106 6.346 10.902 -1.288 1.00 0.00 N ATOM 597 CA ILE A1106 7.602 10.256 -1.614 1.00 0.00 C ATOM 598 C ILE A1106 7.308 8.893 -2.205 1.00 0.00 C ATOM 599 O ILE A1106 6.440 8.170 -1.714 1.00 0.00 O ATOM 600 CB ILE A1106 8.505 10.084 -0.373 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.867 11.444 0.214 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.768 9.305 -0.726 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.642 11.347 1.509 1.00 0.00 C ATOM 0 H ILE A1106 5.802 10.413 -0.577 1.00 0.00 H new ATOM 0 HA ILE A1106 8.133 10.887 -2.326 1.00 0.00 H new ATOM 0 HB ILE A1106 7.952 9.517 0.375 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.457 12.001 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.953 12.013 0.387 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.389 9.196 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.494 8.319 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.325 9.843 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.868 12.349 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A1106 9.045 10.817 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.572 10.805 1.337 1.00 0.00 H new ATOM 615 N GLY A1107 7.994 8.555 -3.269 1.00 0.00 N ATOM 616 CA GLY A1107 7.765 7.282 -3.893 1.00 0.00 C ATOM 617 C GLY A1107 8.824 6.942 -4.901 1.00 0.00 C ATOM 618 O GLY A1107 9.838 7.628 -5.004 1.00 0.00 O ATOM 0 H GLY A1107 8.705 9.136 -3.713 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.732 6.506 -3.128 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.791 7.290 -4.382 1.00 0.00 H new ATOM 622 N HIS A1108 8.571 5.895 -5.656 1.00 0.00 N ATOM 623 CA HIS A1108 9.515 5.416 -6.650 1.00 0.00 C ATOM 624 C HIS A1108 8.794 5.114 -7.963 1.00 0.00 C ATOM 625 O HIS A1108 7.618 4.748 -7.961 1.00 0.00 O ATOM 626 CB HIS A1108 10.269 4.165 -6.140 1.00 0.00 C ATOM 627 CG HIS A1108 9.439 2.924 -5.923 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.521 2.159 -4.783 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.565 2.282 -6.728 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.737 1.106 -4.905 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.145 1.157 -6.075 1.00 0.00 N ATOM 0 H HIS A1108 7.710 5.352 -5.601 1.00 0.00 H new ATOM 0 HA HIS A1108 10.251 6.200 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.059 3.928 -6.853 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.756 4.420 -5.198 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.098 2.373 -3.970 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.254 2.601 -7.712 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.604 0.331 -4.165 1.00 0.00 H new ATOM 640 N ILE A1109 9.494 5.284 -9.073 1.00 0.00 N ATOM 641 CA ILE A1109 8.961 4.932 -10.382 1.00 0.00 C ATOM 642 C ILE A1109 8.876 3.415 -10.516 1.00 0.00 C ATOM 643 O ILE A1109 9.851 2.712 -10.248 1.00 0.00 O ATOM 644 CB ILE A1109 9.856 5.499 -11.512 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.762 7.028 -11.563 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.481 4.901 -12.862 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.430 7.540 -12.068 1.00 0.00 C ATOM 0 H ILE A1109 10.439 5.666 -9.094 1.00 0.00 H new ATOM 0 HA ILE A1109 7.965 5.366 -10.473 1.00 0.00 H new ATOM 0 HB ILE A1109 10.886 5.221 -11.291 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.940 7.427 -10.565 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.555 7.411 -12.205 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.126 5.317 -13.636 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.607 3.819 -12.828 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.442 5.138 -13.089 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.439 8.630 -12.076 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.258 7.171 -13.079 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.633 7.188 -11.413 1.00 0.00 H new ATOM 659 N GLU A1110 7.709 2.907 -10.900 1.00 0.00 N ATOM 660 CA GLU A1110 7.561 1.480 -11.136 1.00 0.00 C ATOM 661 C GLU A1110 8.423 1.062 -12.321 1.00 0.00 C ATOM 662 O GLU A1110 8.440 1.733 -13.357 1.00 0.00 O ATOM 663 CB GLU A1110 6.103 1.094 -11.394 1.00 0.00 C ATOM 664 CG GLU A1110 5.225 1.154 -10.160 1.00 0.00 C ATOM 665 CD GLU A1110 4.047 0.204 -10.251 1.00 0.00 C ATOM 666 OE1 GLU A1110 3.035 0.556 -10.887 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.135 -0.908 -9.695 1.00 0.00 O ATOM 0 H GLU A1110 6.863 3.456 -11.052 1.00 0.00 H new ATOM 0 HA GLU A1110 7.888 0.958 -10.237 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.691 1.758 -12.154 1.00 0.00 H new ATOM 0 HB3 GLU A1110 6.071 0.084 -11.802 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.820 0.910 -9.280 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.860 2.172 -10.025 1.00 0.00 H new ATOM 674 N GLY A1111 9.145 -0.033 -12.164 1.00 0.00 N ATOM 675 CA GLY A1111 10.026 -0.498 -13.214 1.00 0.00 C ATOM 676 C GLY A1111 11.454 -0.024 -13.023 1.00 0.00 C ATOM 677 O GLY A1111 12.388 -0.615 -13.565 1.00 0.00 O ATOM 0 H GLY A1111 9.138 -0.612 -11.324 1.00 0.00 H new ATOM 0 HA2 GLY A1111 10.009 -1.587 -13.243 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.655 -0.147 -14.177 1.00 0.00 H new ATOM 681 N GLN A1112 11.625 1.035 -12.243 1.00 0.00 N ATOM 682 CA GLN A1112 12.950 1.560 -11.937 1.00 0.00 C ATOM 683 C GLN A1112 12.975 2.104 -10.511 1.00 0.00 C ATOM 684 O GLN A1112 12.751 3.295 -10.280 1.00 0.00 O ATOM 685 CB GLN A1112 13.339 2.652 -12.937 1.00 0.00 C ATOM 686 CG GLN A1112 14.741 3.204 -12.724 1.00 0.00 C ATOM 687 CD GLN A1112 15.128 4.230 -13.770 1.00 0.00 C ATOM 688 OE1 GLN A1112 14.276 4.924 -14.320 1.00 0.00 O ATOM 689 NE2 GLN A1112 16.417 4.338 -14.049 1.00 0.00 N ATOM 0 H GLN A1112 10.859 1.550 -11.809 1.00 0.00 H new ATOM 0 HA GLN A1112 13.677 0.752 -12.018 1.00 0.00 H new ATOM 0 HB2 GLN A1112 13.266 2.250 -13.947 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.621 3.469 -12.866 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.802 3.658 -11.735 1.00 0.00 H new ATOM 0 HG3 GLN A1112 15.458 2.383 -12.743 1.00 0.00 H new ATOM 0 HE21 GLN A1112 17.094 3.744 -13.571 1.00 0.00 H new ATOM 0 HE22 GLN A1112 16.734 5.016 -14.742 1.00 0.00 H new ATOM 698 N PRO A1113 13.257 1.227 -9.536 1.00 0.00 N ATOM 699 CA PRO A1113 13.205 1.572 -8.109 1.00 0.00 C ATOM 700 C PRO A1113 14.283 2.567 -7.683 1.00 0.00 C ATOM 701 O PRO A1113 14.259 3.066 -6.562 1.00 0.00 O ATOM 702 CB PRO A1113 13.417 0.229 -7.406 1.00 0.00 C ATOM 703 CG PRO A1113 14.139 -0.615 -8.397 1.00 0.00 C ATOM 704 CD PRO A1113 13.647 -0.180 -9.748 1.00 0.00 C ATOM 0 HA PRO A1113 12.265 2.065 -7.860 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.999 0.349 -6.492 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.466 -0.222 -7.122 1.00 0.00 H new ATOM 0 HG2 PRO A1113 15.217 -0.480 -8.312 1.00 0.00 H new ATOM 0 HG3 PRO A1113 13.936 -1.673 -8.230 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.424 -0.271 -10.507 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.804 -0.784 -10.082 1.00 0.00 H new ATOM 712 N GLU A1114 15.234 2.852 -8.565 1.00 0.00 N ATOM 713 CA GLU A1114 16.272 3.825 -8.259 1.00 0.00 C ATOM 714 C GLU A1114 15.738 5.240 -8.426 1.00 0.00 C ATOM 715 O GLU A1114 16.249 6.182 -7.820 1.00 0.00 O ATOM 716 CB GLU A1114 17.508 3.614 -9.137 1.00 0.00 C ATOM 717 CG GLU A1114 18.129 2.237 -8.986 1.00 0.00 C ATOM 718 CD GLU A1114 17.820 1.335 -10.160 1.00 0.00 C ATOM 719 OE1 GLU A1114 16.638 1.001 -10.368 1.00 0.00 O ATOM 720 OE2 GLU A1114 18.766 0.965 -10.892 1.00 0.00 O ATOM 0 H GLU A1114 15.307 2.427 -9.489 1.00 0.00 H new ATOM 0 HA GLU A1114 16.570 3.681 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.233 3.768 -10.181 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.254 4.369 -8.889 1.00 0.00 H new ATOM 0 HG2 GLU A1114 19.209 2.338 -8.883 1.00 0.00 H new ATOM 0 HG3 GLU A1114 17.763 1.775 -8.069 1.00 0.00 H new ATOM 727 N ARG A1115 14.698 5.390 -9.236 1.00 0.00 N ATOM 728 CA ARG A1115 14.065 6.684 -9.412 1.00 0.00 C ATOM 729 C ARG A1115 13.039 6.917 -8.323 1.00 0.00 C ATOM 730 O ARG A1115 11.876 6.536 -8.458 1.00 0.00 O ATOM 731 CB ARG A1115 13.395 6.815 -10.779 1.00 0.00 C ATOM 732 CG ARG A1115 14.343 7.212 -11.891 1.00 0.00 C ATOM 733 CD ARG A1115 13.585 7.756 -13.093 1.00 0.00 C ATOM 734 NE ARG A1115 14.492 8.161 -14.163 1.00 0.00 N ATOM 735 CZ ARG A1115 14.352 9.262 -14.901 1.00 0.00 C ATOM 736 NH1 ARG A1115 13.312 10.069 -14.722 1.00 0.00 N ATOM 737 NH2 ARG A1115 15.260 9.550 -15.822 1.00 0.00 N ATOM 0 H ARG A1115 14.279 4.634 -9.778 1.00 0.00 H new ATOM 0 HA ARG A1115 14.850 7.437 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.927 5.865 -11.036 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.598 7.555 -10.713 1.00 0.00 H new ATOM 0 HG2 ARG A1115 15.040 7.966 -11.526 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.936 6.349 -12.192 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.899 6.995 -13.466 1.00 0.00 H new ATOM 0 HD3 ARG A1115 12.980 8.609 -12.786 1.00 0.00 H new ATOM 0 HE ARG A1115 15.291 7.558 -14.360 1.00 0.00 H new ATOM 0 HH11 ARG A1115 12.611 9.848 -14.014 1.00 0.00 H new ATOM 0 HH12 ARG A1115 13.214 10.909 -15.292 1.00 0.00 H new ATOM 0 HH21 ARG A1115 16.059 8.931 -15.962 1.00 0.00 H new ATOM 0 HH22 ARG A1115 15.160 10.391 -16.391 1.00 0.00 H new ATOM 751 N LYS A1116 13.474 7.531 -7.241 1.00 0.00 N ATOM 752 CA LYS A1116 12.578 7.855 -6.147 1.00 0.00 C ATOM 753 C LYS A1116 12.719 9.313 -5.772 1.00 0.00 C ATOM 754 O LYS A1116 13.633 9.993 -6.238 1.00 0.00 O ATOM 755 CB LYS A1116 12.875 7.008 -4.915 1.00 0.00 C ATOM 756 CG LYS A1116 13.162 5.558 -5.219 1.00 0.00 C ATOM 757 CD LYS A1116 13.396 4.757 -3.951 1.00 0.00 C ATOM 758 CE LYS A1116 14.707 5.146 -3.288 1.00 0.00 C ATOM 759 NZ LYS A1116 15.872 4.859 -4.167 1.00 0.00 N ATOM 0 H LYS A1116 14.442 7.816 -7.095 1.00 0.00 H new ATOM 0 HA LYS A1116 11.563 7.647 -6.486 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.731 7.435 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.025 7.064 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.326 5.129 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.039 5.487 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.572 4.921 -3.257 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.407 3.693 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A1116 14.690 6.208 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.816 4.602 -2.350 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 16.737 4.809 -3.592 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 15.726 3.951 -4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 15.969 5.617 -4.873 1.00 0.00 H new ATOM 773 N GLY A1117 11.820 9.783 -4.931 1.00 0.00 N ATOM 774 CA GLY A1117 11.927 11.130 -4.427 1.00 0.00 C ATOM 775 C GLY A1117 10.575 11.732 -4.134 1.00 0.00 C ATOM 776 O GLY A1117 9.571 11.016 -4.103 1.00 0.00 O ATOM 0 H GLY A1117 11.017 9.256 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.529 11.130 -3.518 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.450 11.750 -5.156 1.00 0.00 H new ATOM 780 N VAL A1118 10.544 13.038 -3.912 1.00 0.00 N ATOM 781 CA VAL A1118 9.290 13.734 -3.670 1.00 0.00 C ATOM 782 C VAL A1118 8.619 14.103 -4.985 1.00 0.00 C ATOM 783 O VAL A1118 9.288 14.440 -5.966 1.00 0.00 O ATOM 784 CB VAL A1118 9.475 15.006 -2.811 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.892 14.634 -1.400 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.488 15.954 -3.441 1.00 0.00 C ATOM 0 H VAL A1118 11.371 13.635 -3.895 1.00 0.00 H new ATOM 0 HA VAL A1118 8.655 13.045 -3.113 1.00 0.00 H new ATOM 0 HB VAL A1118 8.518 15.526 -2.765 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.018 15.540 -0.807 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.124 14.008 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.834 14.087 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.597 16.839 -2.814 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.451 15.451 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.142 16.251 -4.431 1.00 0.00 H new ATOM 796 N PHE A1119 7.302 14.014 -5.005 1.00 0.00 N ATOM 797 CA PHE A1119 6.532 14.374 -6.178 1.00 0.00 C ATOM 798 C PHE A1119 5.248 15.092 -5.782 1.00 0.00 C ATOM 799 O PHE A1119 4.547 14.676 -4.855 1.00 0.00 O ATOM 800 CB PHE A1119 6.232 13.138 -7.048 1.00 0.00 C ATOM 801 CG PHE A1119 5.614 11.963 -6.327 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.402 11.077 -5.607 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.247 11.718 -6.402 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.844 9.982 -4.982 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.689 10.623 -5.768 1.00 0.00 C ATOM 806 CZ PHE A1119 4.493 9.754 -5.059 1.00 0.00 C ATOM 0 H PHE A1119 6.741 13.693 -4.216 1.00 0.00 H new ATOM 0 HA PHE A1119 7.131 15.060 -6.776 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.563 13.438 -7.855 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.162 12.808 -7.511 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.466 11.247 -5.535 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.614 12.391 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.473 9.300 -4.429 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.625 10.448 -5.828 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.060 8.896 -4.566 1.00 0.00 H new ATOM 816 N PRO A1120 4.958 16.215 -6.457 1.00 0.00 N ATOM 817 CA PRO A1120 3.748 16.997 -6.213 1.00 0.00 C ATOM 818 C PRO A1120 2.487 16.230 -6.593 1.00 0.00 C ATOM 819 O PRO A1120 2.332 15.782 -7.731 1.00 0.00 O ATOM 820 CB PRO A1120 3.921 18.235 -7.097 1.00 0.00 C ATOM 821 CG PRO A1120 4.916 17.843 -8.135 1.00 0.00 C ATOM 822 CD PRO A1120 5.805 16.813 -7.503 1.00 0.00 C ATOM 0 HA PRO A1120 3.627 17.241 -5.158 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.975 18.529 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.274 19.087 -6.516 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.419 17.438 -9.016 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.495 18.706 -8.464 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.132 16.068 -8.228 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.703 17.264 -7.082 1.00 0.00 H new ATOM 830 N VAL A1121 1.589 16.096 -5.630 1.00 0.00 N ATOM 831 CA VAL A1121 0.383 15.287 -5.783 1.00 0.00 C ATOM 832 C VAL A1121 -0.566 15.861 -6.838 1.00 0.00 C ATOM 833 O VAL A1121 -1.346 15.127 -7.447 1.00 0.00 O ATOM 834 CB VAL A1121 -0.352 15.149 -4.433 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.513 14.176 -4.526 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.619 14.701 -3.360 1.00 0.00 C ATOM 0 H VAL A1121 1.673 16.544 -4.718 1.00 0.00 H new ATOM 0 HA VAL A1121 0.700 14.301 -6.124 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.758 16.126 -4.170 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -2.006 14.105 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.226 14.530 -5.271 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.142 13.193 -4.817 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.093 14.606 -2.410 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.047 13.737 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.417 15.437 -3.261 1.00 0.00 H new ATOM 846 N SER A1122 -0.483 17.163 -7.081 1.00 0.00 N ATOM 847 CA SER A1122 -1.325 17.801 -8.088 1.00 0.00 C ATOM 848 C SER A1122 -0.870 17.416 -9.499 1.00 0.00 C ATOM 849 O SER A1122 -1.552 17.706 -10.482 1.00 0.00 O ATOM 850 CB SER A1122 -1.299 19.327 -7.922 1.00 0.00 C ATOM 851 OG SER A1122 -2.137 19.970 -8.871 1.00 0.00 O ATOM 0 H SER A1122 0.155 17.796 -6.598 1.00 0.00 H new ATOM 0 HA SER A1122 -2.347 17.450 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A1122 -1.621 19.590 -6.914 1.00 0.00 H new ATOM 0 HB3 SER A1122 -0.277 19.689 -8.034 1.00 0.00 H new ATOM 0 HG SER A1122 -2.194 19.422 -9.681 1.00 0.00 H new ATOM 857 N PHE A1123 0.280 16.759 -9.588 1.00 0.00 N ATOM 858 CA PHE A1123 0.840 16.355 -10.872 1.00 0.00 C ATOM 859 C PHE A1123 0.592 14.876 -11.140 1.00 0.00 C ATOM 860 O PHE A1123 0.933 14.364 -12.209 1.00 0.00 O ATOM 861 CB PHE A1123 2.346 16.636 -10.906 1.00 0.00 C ATOM 862 CG PHE A1123 2.698 18.080 -11.131 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.264 19.069 -10.263 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.463 18.445 -12.223 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.589 20.394 -10.483 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.790 19.764 -12.450 1.00 0.00 C ATOM 867 CZ PHE A1123 3.353 20.742 -11.580 1.00 0.00 C ATOM 0 H PHE A1123 0.846 16.493 -8.782 1.00 0.00 H new ATOM 0 HA PHE A1123 0.344 16.936 -11.649 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.787 16.309 -9.964 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.799 16.036 -11.695 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.665 18.801 -9.405 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.809 17.685 -12.908 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.246 21.156 -9.799 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.388 20.032 -13.308 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.608 21.777 -11.756 1.00 0.00 H new ATOM 877 N VAL A1124 -0.006 14.191 -10.178 1.00 0.00 N ATOM 878 CA VAL A1124 -0.193 12.755 -10.289 1.00 0.00 C ATOM 879 C VAL A1124 -1.662 12.373 -10.128 1.00 0.00 C ATOM 880 O VAL A1124 -2.473 13.163 -9.647 1.00 0.00 O ATOM 881 CB VAL A1124 0.659 11.994 -9.251 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.133 12.328 -9.414 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.194 12.291 -7.832 1.00 0.00 C ATOM 0 H VAL A1124 -0.367 14.603 -9.318 1.00 0.00 H new ATOM 0 HA VAL A1124 0.136 12.468 -11.288 1.00 0.00 H new ATOM 0 HB VAL A1124 0.527 10.927 -9.430 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.714 11.780 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.462 12.045 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.281 13.399 -9.273 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.813 11.741 -7.124 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.282 13.360 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.846 11.985 -7.719 1.00 0.00 H new ATOM 893 N HIS A1125 -1.994 11.163 -10.552 1.00 0.00 N ATOM 894 CA HIS A1125 -3.359 10.658 -10.473 1.00 0.00 C ATOM 895 C HIS A1125 -3.374 9.375 -9.642 1.00 0.00 C ATOM 896 O HIS A1125 -2.906 8.338 -10.097 1.00 0.00 O ATOM 897 CB HIS A1125 -3.869 10.388 -11.891 1.00 0.00 C ATOM 898 CG HIS A1125 -5.354 10.409 -12.042 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.002 11.287 -12.881 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.313 9.629 -11.501 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.295 11.043 -12.853 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.514 10.041 -12.023 1.00 0.00 N ATOM 0 H HIS A1125 -1.329 10.505 -10.959 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.009 11.391 -9.995 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.440 11.131 -12.563 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.500 9.415 -12.215 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.164 8.830 -10.790 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.050 11.574 -13.415 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.426 9.639 -11.805 1.00 0.00 H new ATOM 911 N ILE A1126 -3.902 9.452 -8.431 1.00 0.00 N ATOM 912 CA ILE A1126 -3.817 8.342 -7.478 1.00 0.00 C ATOM 913 C ILE A1126 -4.597 7.112 -7.955 1.00 0.00 C ATOM 914 O ILE A1126 -5.704 7.222 -8.488 1.00 0.00 O ATOM 915 CB ILE A1126 -4.329 8.750 -6.075 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.422 9.799 -5.421 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.450 7.539 -5.162 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.617 11.212 -5.927 1.00 0.00 C ATOM 0 H ILE A1126 -4.397 10.271 -8.078 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.760 8.085 -7.413 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.316 9.190 -6.216 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -3.594 9.787 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -2.383 9.511 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.812 7.856 -4.184 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -5.151 6.826 -5.595 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.474 7.067 -5.053 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -2.933 11.882 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -3.415 11.246 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -4.644 11.526 -5.742 1.00 0.00 H new ATOM 930 N LEU A1127 -4.001 5.942 -7.747 1.00 0.00 N ATOM 931 CA LEU A1127 -4.608 4.673 -8.111 1.00 0.00 C ATOM 932 C LEU A1127 -5.026 3.921 -6.856 1.00 0.00 C ATOM 933 O LEU A1127 -4.208 3.693 -5.964 1.00 0.00 O ATOM 934 CB LEU A1127 -3.616 3.808 -8.896 1.00 0.00 C ATOM 935 CG LEU A1127 -2.780 4.563 -9.924 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.823 3.618 -10.636 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.679 5.273 -10.928 1.00 0.00 C ATOM 0 H LEU A1127 -3.080 5.851 -7.319 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.480 4.877 -8.732 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -2.944 3.320 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.169 3.020 -9.407 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.190 5.315 -9.400 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.236 4.176 -11.365 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.155 3.159 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.392 2.841 -11.147 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.064 5.806 -11.653 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.297 4.539 -11.446 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.320 5.982 -10.404 1.00 0.00 H new