USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 578 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+ -171:sc= 1.07 (180deg=0.975) USER MOD Single : A1074 THR OG1 : rot 160:sc= 1.79 USER MOD Single : A1076 TYR OH : rot -33:sc= -1.62 USER MOD Single : A1078 CYS SG : rot 130:sc= -0.175 USER MOD Single : A1079 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A1082 ASN : amide:sc= 0.369 K(o=0.37,f=-4.4!) USER MOD Single : A1087 THR OG1 : rot 180:sc= 0.941 USER MOD Single : A1097 THR OG1 : rot 180:sc= -3.09! USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A1112 GLN : amide:sc= -0.329 K(o=-0.33,f=-0.87) USER MOD Single : A1116 LYS NZ :NH3+ -140:sc= -1.5 (180deg=-3.81!) USER MOD Single : A1122 SER OG : rot -124:sc= 1.22 USER MOD Single : A1125 HIS : no HE2:sc= -0.312 K(o=-0.31,f=-5.9!) USER MOD Single : A1128 SER OG : rot 180:sc= -0.635 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot 180:sc= 0 USER MOD Single : B1583 MET CE :methyl 176:sc= -1.37 (180deg=-1.4) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 154:sc= 1.25 (180deg=0.699) USER MOD Single : B1587 SER OG : rot 128:sc= 1.23 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ 150:sc= 1.98 (180deg=1.56) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 2.652 1.030 -0.168 1.00 0.00 N ATOM 20 CA ARG A1070 3.691 2.039 -0.068 1.00 0.00 C ATOM 21 C ARG A1070 4.078 2.237 1.391 1.00 0.00 C ATOM 22 O ARG A1070 3.232 2.185 2.282 1.00 0.00 O ATOM 23 CB ARG A1070 3.233 3.357 -0.694 1.00 0.00 C ATOM 24 CG ARG A1070 4.338 4.397 -0.778 1.00 0.00 C ATOM 25 CD ARG A1070 3.886 5.631 -1.533 1.00 0.00 C ATOM 26 NE ARG A1070 3.500 5.323 -2.908 1.00 0.00 N ATOM 27 CZ ARG A1070 2.597 6.016 -3.603 1.00 0.00 C ATOM 28 NH1 ARG A1070 1.963 7.037 -3.039 1.00 0.00 N ATOM 29 NH2 ARG A1070 2.322 5.680 -4.856 1.00 0.00 N ATOM 0 HA ARG A1070 4.566 1.697 -0.620 1.00 0.00 H new ATOM 0 HB2 ARG A1070 2.850 3.162 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A1070 2.406 3.761 -0.110 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.650 4.679 0.228 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.208 3.965 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A1070 3.042 6.085 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.690 6.367 -1.539 1.00 0.00 H new ATOM 0 HE ARG A1070 3.949 4.529 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A1070 2.166 7.293 -2.073 1.00 0.00 H new ATOM 0 HH12 ARG A1070 1.273 7.566 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A1070 2.801 4.891 -5.289 1.00 0.00 H new ATOM 0 HH22 ARG A1070 1.631 6.211 -5.386 1.00 0.00 H new ATOM 43 N ARG A1071 5.359 2.463 1.631 1.00 0.00 N ATOM 44 CA ARG A1071 5.879 2.515 2.985 1.00 0.00 C ATOM 45 C ARG A1071 6.820 3.703 3.139 1.00 0.00 C ATOM 46 O ARG A1071 7.658 3.948 2.274 1.00 0.00 O ATOM 47 CB ARG A1071 6.621 1.212 3.272 1.00 0.00 C ATOM 48 CG ARG A1071 6.846 0.910 4.742 1.00 0.00 C ATOM 49 CD ARG A1071 7.671 -0.353 4.883 1.00 0.00 C ATOM 50 NE ARG A1071 7.645 -0.917 6.233 1.00 0.00 N ATOM 51 CZ ARG A1071 8.647 -1.627 6.758 1.00 0.00 C ATOM 52 NH1 ARG A1071 9.780 -1.785 6.083 1.00 0.00 N ATOM 53 NH2 ARG A1071 8.521 -2.189 7.951 1.00 0.00 N ATOM 0 H ARG A1071 6.058 2.613 0.904 1.00 0.00 H new ATOM 0 HA ARG A1071 5.059 2.635 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A1071 6.061 0.388 2.829 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.589 1.245 2.772 1.00 0.00 H new ATOM 0 HG2 ARG A1071 7.357 1.745 5.221 1.00 0.00 H new ATOM 0 HG3 ARG A1071 5.889 0.789 5.249 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.303 -1.099 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A1071 8.703 -0.136 4.608 1.00 0.00 H new ATOM 0 HE ARG A1071 6.815 -0.759 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A1071 9.887 -1.363 5.160 1.00 0.00 H new ATOM 0 HH12 ARG A1071 10.543 -2.328 6.487 1.00 0.00 H new ATOM 0 HH21 ARG A1071 7.653 -2.081 8.476 1.00 0.00 H new ATOM 0 HH22 ARG A1071 9.292 -2.730 8.344 1.00 0.00 H new ATOM 67 N VAL A1072 6.673 4.448 4.218 1.00 0.00 N ATOM 68 CA VAL A1072 7.544 5.586 4.474 1.00 0.00 C ATOM 69 C VAL A1072 8.200 5.475 5.843 1.00 0.00 C ATOM 70 O VAL A1072 7.659 4.849 6.756 1.00 0.00 O ATOM 71 CB VAL A1072 6.792 6.935 4.378 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.265 7.168 2.972 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.659 7.004 5.387 1.00 0.00 C ATOM 0 H VAL A1072 5.962 4.289 4.931 1.00 0.00 H new ATOM 0 HA VAL A1072 8.310 5.566 3.699 1.00 0.00 H new ATOM 0 HB VAL A1072 7.505 7.726 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.741 8.123 2.933 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.098 7.182 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.578 6.366 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A1072 5.149 7.963 5.296 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.952 6.197 5.196 1.00 0.00 H new ATOM 0 HG23 VAL A1072 6.062 6.902 6.394 1.00 0.00 H new ATOM 83 N LYS A1073 9.370 6.074 5.968 1.00 0.00 N ATOM 84 CA LYS A1073 10.088 6.105 7.229 1.00 0.00 C ATOM 85 C LYS A1073 10.263 7.554 7.634 1.00 0.00 C ATOM 86 O LYS A1073 10.621 8.399 6.811 1.00 0.00 O ATOM 87 CB LYS A1073 11.449 5.404 7.095 1.00 0.00 C ATOM 88 CG LYS A1073 12.018 4.855 8.405 1.00 0.00 C ATOM 89 CD LYS A1073 12.622 5.938 9.294 1.00 0.00 C ATOM 90 CE LYS A1073 13.867 6.555 8.672 1.00 0.00 C ATOM 91 NZ LYS A1073 14.502 7.560 9.570 1.00 0.00 N ATOM 0 H LYS A1073 9.847 6.550 5.203 1.00 0.00 H new ATOM 0 HA LYS A1073 9.525 5.572 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.351 4.583 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.165 6.108 6.671 1.00 0.00 H new ATOM 0 HG2 LYS A1073 11.226 4.343 8.952 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.782 4.111 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.881 6.717 9.471 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.875 5.512 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.586 5.768 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.603 7.029 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 15.251 8.063 9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.785 8.241 9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.914 7.078 10.394 1.00 0.00 H new ATOM 105 N THR A1074 9.990 7.843 8.883 1.00 0.00 N ATOM 106 CA THR A1074 10.017 9.204 9.362 1.00 0.00 C ATOM 107 C THR A1074 11.447 9.673 9.587 1.00 0.00 C ATOM 108 O THR A1074 12.243 8.997 10.243 1.00 0.00 O ATOM 109 CB THR A1074 9.221 9.326 10.664 1.00 0.00 C ATOM 110 OG1 THR A1074 9.870 8.578 11.684 1.00 0.00 O ATOM 111 CG2 THR A1074 7.813 8.791 10.481 1.00 0.00 C ATOM 0 H THR A1074 9.745 7.150 9.590 1.00 0.00 H new ATOM 0 HA THR A1074 9.560 9.837 8.602 1.00 0.00 H new ATOM 0 HB THR A1074 9.168 10.378 10.942 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.568 8.892 12.562 1.00 0.00 H new ATOM 0 HG21 THR A1074 7.263 8.886 11.417 1.00 0.00 H new ATOM 0 HG22 THR A1074 7.306 9.361 9.702 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.857 7.741 10.192 1.00 0.00 H new ATOM 119 N ILE A1075 11.775 10.821 9.030 1.00 0.00 N ATOM 120 CA ILE A1075 13.105 11.385 9.185 1.00 0.00 C ATOM 121 C ILE A1075 13.087 12.478 10.231 1.00 0.00 C ATOM 122 O ILE A1075 14.127 13.017 10.615 1.00 0.00 O ATOM 123 CB ILE A1075 13.630 11.967 7.863 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.613 12.934 7.264 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.946 10.859 6.881 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.143 13.734 6.095 1.00 0.00 C ATOM 0 H ILE A1075 11.140 11.384 8.465 1.00 0.00 H new ATOM 0 HA ILE A1075 13.768 10.578 9.497 1.00 0.00 H new ATOM 0 HB ILE A1075 14.549 12.515 8.071 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.738 12.371 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.279 13.622 8.041 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.316 11.291 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.707 10.203 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.043 10.283 6.679 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.362 14.398 5.724 1.00 0.00 H new ATOM 0 HD12 ILE A1075 13.999 14.326 6.418 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.450 13.055 5.299 1.00 0.00 H new ATOM 138 N TYR A1076 11.886 12.799 10.668 1.00 0.00 N ATOM 139 CA TYR A1076 11.674 13.827 11.662 1.00 0.00 C ATOM 140 C TYR A1076 10.648 13.393 12.683 1.00 0.00 C ATOM 141 O TYR A1076 10.050 12.320 12.580 1.00 0.00 O ATOM 142 CB TYR A1076 11.178 15.112 11.008 1.00 0.00 C ATOM 143 CG TYR A1076 12.220 15.882 10.246 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.119 16.699 10.909 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.283 15.821 8.863 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.050 17.438 10.212 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.218 16.550 8.159 1.00 0.00 C ATOM 148 CZ TYR A1076 14.094 17.360 8.837 1.00 0.00 C ATOM 149 OH TYR A1076 15.015 18.100 8.135 1.00 0.00 O ATOM 0 H TYR A1076 11.029 12.352 10.342 1.00 0.00 H new ATOM 0 HA TYR A1076 12.631 14.001 12.154 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.362 14.864 10.329 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.764 15.759 11.781 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.090 16.758 11.987 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.588 15.192 8.327 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.742 18.076 10.741 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.261 16.484 7.082 1.00 0.00 H new ATOM 0 HH TYR A1076 15.177 18.947 8.600 1.00 0.00 H new ATOM 159 N ASP A1077 10.452 14.258 13.658 1.00 0.00 N ATOM 160 CA ASP A1077 9.423 14.087 14.658 1.00 0.00 C ATOM 161 C ASP A1077 8.321 15.085 14.390 1.00 0.00 C ATOM 162 O ASP A1077 8.584 16.258 14.142 1.00 0.00 O ATOM 163 CB ASP A1077 10.008 14.284 16.052 1.00 0.00 C ATOM 164 CG ASP A1077 8.965 14.594 17.105 1.00 0.00 C ATOM 165 OD1 ASP A1077 8.281 13.662 17.566 1.00 0.00 O ATOM 166 OD2 ASP A1077 8.859 15.771 17.504 1.00 0.00 O ATOM 0 H ASP A1077 11.008 15.105 13.777 1.00 0.00 H new ATOM 0 HA ASP A1077 9.016 13.077 14.608 1.00 0.00 H new ATOM 0 HB2 ASP A1077 10.549 13.383 16.341 1.00 0.00 H new ATOM 0 HB3 ASP A1077 10.735 15.096 16.021 1.00 0.00 H new ATOM 171 N CYS A1078 7.101 14.615 14.415 1.00 0.00 N ATOM 172 CA CYS A1078 5.966 15.443 14.061 1.00 0.00 C ATOM 173 C CYS A1078 4.762 15.067 14.888 1.00 0.00 C ATOM 174 O CYS A1078 4.564 13.901 15.223 1.00 0.00 O ATOM 175 CB CYS A1078 5.636 15.301 12.574 1.00 0.00 C ATOM 176 SG CYS A1078 4.213 16.274 12.028 1.00 0.00 S ATOM 0 H CYS A1078 6.862 13.659 14.678 1.00 0.00 H new ATOM 0 HA CYS A1078 6.228 16.481 14.265 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.508 15.597 11.991 1.00 0.00 H new ATOM 0 HB3 CYS A1078 5.448 14.250 12.355 1.00 0.00 H new ATOM 0 HG CYS A1078 4.535 16.958 10.970 1.00 0.00 H new ATOM 182 N GLN A1079 3.952 16.053 15.198 1.00 0.00 N ATOM 183 CA GLN A1079 2.766 15.827 16.007 1.00 0.00 C ATOM 184 C GLN A1079 1.531 16.390 15.324 1.00 0.00 C ATOM 185 O GLN A1079 1.591 17.421 14.649 1.00 0.00 O ATOM 186 CB GLN A1079 2.960 16.433 17.394 1.00 0.00 C ATOM 187 CG GLN A1079 1.767 16.294 18.323 1.00 0.00 C ATOM 188 CD GLN A1079 2.001 16.961 19.665 1.00 0.00 C ATOM 189 OE1 GLN A1079 3.132 17.061 20.137 1.00 0.00 O ATOM 190 NE2 GLN A1079 0.930 17.425 20.286 1.00 0.00 N ATOM 0 H GLN A1079 4.088 17.020 14.905 1.00 0.00 H new ATOM 0 HA GLN A1079 2.614 14.754 16.120 1.00 0.00 H new ATOM 0 HB2 GLN A1079 3.824 15.963 17.863 1.00 0.00 H new ATOM 0 HB3 GLN A1079 3.195 17.492 17.283 1.00 0.00 H new ATOM 0 HG2 GLN A1079 0.888 16.733 17.850 1.00 0.00 H new ATOM 0 HG3 GLN A1079 1.551 15.237 18.478 1.00 0.00 H new ATOM 0 HE21 GLN A1079 0.009 17.322 19.860 1.00 0.00 H new ATOM 0 HE22 GLN A1079 1.025 17.886 21.191 1.00 0.00 H new ATOM 199 N ALA A1080 0.422 15.684 15.499 1.00 0.00 N ATOM 200 CA ALA A1080 -0.841 16.006 14.843 1.00 0.00 C ATOM 201 C ALA A1080 -1.321 17.417 15.160 1.00 0.00 C ATOM 202 O ALA A1080 -1.408 17.817 16.321 1.00 0.00 O ATOM 203 CB ALA A1080 -1.904 14.998 15.244 1.00 0.00 C ATOM 0 H ALA A1080 0.372 14.865 16.105 1.00 0.00 H new ATOM 0 HA ALA A1080 -0.667 15.957 13.768 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -2.844 15.245 14.750 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -1.589 13.998 14.945 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.043 15.026 16.325 1.00 0.00 H new ATOM 209 N ASP A1081 -1.637 18.155 14.103 1.00 0.00 N ATOM 210 CA ASP A1081 -2.138 19.523 14.216 1.00 0.00 C ATOM 211 C ASP A1081 -3.609 19.511 14.608 1.00 0.00 C ATOM 212 O ASP A1081 -4.079 20.371 15.351 1.00 0.00 O ATOM 213 CB ASP A1081 -1.964 20.249 12.876 1.00 0.00 C ATOM 214 CG ASP A1081 -2.416 21.698 12.919 1.00 0.00 C ATOM 215 OD1 ASP A1081 -3.607 21.968 12.656 1.00 0.00 O ATOM 216 OD2 ASP A1081 -1.571 22.571 13.204 1.00 0.00 O ATOM 0 H ASP A1081 -1.554 17.824 13.142 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.571 20.046 14.986 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.915 20.211 12.583 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.529 19.721 12.108 1.00 0.00 H new ATOM 221 N ASN A1082 -4.312 18.502 14.114 1.00 0.00 N ATOM 222 CA ASN A1082 -5.743 18.346 14.337 1.00 0.00 C ATOM 223 C ASN A1082 -6.025 16.893 14.724 1.00 0.00 C ATOM 224 O ASN A1082 -5.087 16.134 14.962 1.00 0.00 O ATOM 225 CB ASN A1082 -6.524 18.740 13.068 1.00 0.00 C ATOM 226 CG ASN A1082 -7.989 19.054 13.336 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.845 18.169 13.317 1.00 0.00 O ATOM 228 ND2 ASN A1082 -8.292 20.322 13.562 1.00 0.00 N ATOM 0 H ASN A1082 -3.903 17.763 13.543 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.068 19.001 15.145 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -6.050 19.610 12.614 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.460 17.928 12.344 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -9.261 20.593 13.728 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -7.556 21.028 13.570 1.00 0.00 H new ATOM 235 N ASP A1083 -7.288 16.496 14.768 1.00 0.00 N ATOM 236 CA ASP A1083 -7.656 15.170 15.258 1.00 0.00 C ATOM 237 C ASP A1083 -7.213 14.049 14.311 1.00 0.00 C ATOM 238 O ASP A1083 -6.736 13.006 14.765 1.00 0.00 O ATOM 239 CB ASP A1083 -9.167 15.096 15.487 1.00 0.00 C ATOM 240 CG ASP A1083 -9.616 13.740 16.002 1.00 0.00 C ATOM 241 OD1 ASP A1083 -9.156 13.326 17.088 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.451 13.093 15.334 1.00 0.00 O ATOM 0 H ASP A1083 -8.077 17.070 14.471 1.00 0.00 H new ATOM 0 HA ASP A1083 -7.132 15.020 16.202 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -9.460 15.866 16.200 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -9.683 15.314 14.552 1.00 0.00 H new ATOM 247 N ASP A1084 -7.342 14.259 13.005 1.00 0.00 N ATOM 248 CA ASP A1084 -7.049 13.196 12.043 1.00 0.00 C ATOM 249 C ASP A1084 -5.741 13.455 11.298 1.00 0.00 C ATOM 250 O ASP A1084 -5.586 13.108 10.127 1.00 0.00 O ATOM 251 CB ASP A1084 -8.208 13.025 11.057 1.00 0.00 C ATOM 252 CG ASP A1084 -8.079 11.773 10.205 1.00 0.00 C ATOM 253 OD1 ASP A1084 -7.843 10.682 10.767 1.00 0.00 O ATOM 254 OD2 ASP A1084 -8.246 11.867 8.969 1.00 0.00 O ATOM 0 H ASP A1084 -7.643 15.141 12.590 1.00 0.00 H new ATOM 0 HA ASP A1084 -6.930 12.269 12.604 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -9.146 12.987 11.610 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -8.257 13.898 10.406 1.00 0.00 H new ATOM 259 N GLU A1085 -4.795 14.074 11.976 1.00 0.00 N ATOM 260 CA GLU A1085 -3.450 14.180 11.439 1.00 0.00 C ATOM 261 C GLU A1085 -2.626 13.048 12.035 1.00 0.00 C ATOM 262 O GLU A1085 -3.174 12.169 12.699 1.00 0.00 O ATOM 263 CB GLU A1085 -2.807 15.527 11.773 1.00 0.00 C ATOM 264 CG GLU A1085 -3.725 16.728 11.616 1.00 0.00 C ATOM 265 CD GLU A1085 -4.380 16.846 10.258 1.00 0.00 C ATOM 266 OE1 GLU A1085 -3.670 17.000 9.248 1.00 0.00 O ATOM 267 OE2 GLU A1085 -5.626 16.808 10.201 1.00 0.00 O ATOM 0 H GLU A1085 -4.928 14.507 12.890 1.00 0.00 H new ATOM 0 HA GLU A1085 -3.490 14.109 10.352 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.445 15.496 12.801 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -1.936 15.667 11.132 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -4.504 16.676 12.377 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -3.152 17.635 11.808 1.00 0.00 H new ATOM 274 N LEU A1086 -1.328 13.057 11.817 1.00 0.00 N ATOM 275 CA LEU A1086 -0.497 11.981 12.329 1.00 0.00 C ATOM 276 C LEU A1086 0.629 12.499 13.220 1.00 0.00 C ATOM 277 O LEU A1086 1.319 13.459 12.875 1.00 0.00 O ATOM 278 CB LEU A1086 0.092 11.170 11.177 1.00 0.00 C ATOM 279 CG LEU A1086 0.600 9.785 11.569 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.566 8.878 11.907 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.426 9.180 10.454 1.00 0.00 C ATOM 0 H LEU A1086 -0.830 13.781 11.299 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.138 11.343 12.937 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -0.667 11.058 10.403 1.00 0.00 H new ATOM 0 HB3 LEU A1086 0.915 11.733 10.737 1.00 0.00 H new ATOM 0 HG LEU A1086 1.235 9.889 12.449 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.192 7.893 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.127 9.302 12.740 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -1.219 8.786 11.039 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.777 8.193 10.756 1.00 0.00 H new ATOM 0 HD22 LEU A1086 0.814 9.089 9.556 1.00 0.00 H new ATOM 0 HD23 LEU A1086 2.282 9.822 10.246 1.00 0.00 H new ATOM 293 N THR A1087 0.797 11.859 14.370 1.00 0.00 N ATOM 294 CA THR A1087 1.951 12.096 15.223 1.00 0.00 C ATOM 295 C THR A1087 2.936 10.940 15.054 1.00 0.00 C ATOM 296 O THR A1087 2.588 9.778 15.276 1.00 0.00 O ATOM 297 CB THR A1087 1.551 12.224 16.711 1.00 0.00 C ATOM 298 OG1 THR A1087 0.534 13.224 16.867 1.00 0.00 O ATOM 299 CG2 THR A1087 2.752 12.572 17.582 1.00 0.00 C ATOM 0 H THR A1087 0.142 11.167 14.734 1.00 0.00 H new ATOM 0 HA THR A1087 2.410 13.038 14.924 1.00 0.00 H new ATOM 0 HB THR A1087 1.163 11.258 17.034 1.00 0.00 H new ATOM 0 HG1 THR A1087 0.287 13.295 17.813 1.00 0.00 H new ATOM 0 HG21 THR A1087 2.436 12.654 18.622 1.00 0.00 H new ATOM 0 HG22 THR A1087 3.505 11.789 17.493 1.00 0.00 H new ATOM 0 HG23 THR A1087 3.175 13.522 17.255 1.00 0.00 H new ATOM 307 N PHE A1088 4.152 11.259 14.640 1.00 0.00 N ATOM 308 CA PHE A1088 5.163 10.251 14.361 1.00 0.00 C ATOM 309 C PHE A1088 6.536 10.745 14.775 1.00 0.00 C ATOM 310 O PHE A1088 6.887 11.901 14.552 1.00 0.00 O ATOM 311 CB PHE A1088 5.155 9.858 12.874 1.00 0.00 C ATOM 312 CG PHE A1088 5.103 11.022 11.909 1.00 0.00 C ATOM 313 CD1 PHE A1088 3.891 11.605 11.578 1.00 0.00 C ATOM 314 CD2 PHE A1088 6.256 11.520 11.324 1.00 0.00 C ATOM 315 CE1 PHE A1088 3.832 12.660 10.690 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.202 12.574 10.435 1.00 0.00 C ATOM 317 CZ PHE A1088 4.989 13.143 10.116 1.00 0.00 C ATOM 0 H PHE A1088 4.465 12.218 14.489 1.00 0.00 H new ATOM 0 HA PHE A1088 4.924 9.362 14.946 1.00 0.00 H new ATOM 0 HB2 PHE A1088 6.048 9.270 12.664 1.00 0.00 H new ATOM 0 HB3 PHE A1088 4.297 9.212 12.688 1.00 0.00 H new ATOM 0 HD1 PHE A1088 2.980 11.229 12.020 1.00 0.00 H new ATOM 0 HD2 PHE A1088 7.210 11.077 11.567 1.00 0.00 H new ATOM 0 HE1 PHE A1088 2.880 13.107 10.445 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.110 12.952 9.990 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.944 13.966 9.418 1.00 0.00 H new ATOM 327 N ILE A1089 7.300 9.857 15.381 1.00 0.00 N ATOM 328 CA ILE A1089 8.627 10.193 15.876 1.00 0.00 C ATOM 329 C ILE A1089 9.689 9.704 14.901 1.00 0.00 C ATOM 330 O ILE A1089 9.438 8.780 14.142 1.00 0.00 O ATOM 331 CB ILE A1089 8.860 9.604 17.293 1.00 0.00 C ATOM 332 CG1 ILE A1089 8.216 8.215 17.453 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.308 10.551 18.348 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.873 7.119 16.645 1.00 0.00 C ATOM 0 H ILE A1089 7.024 8.889 15.545 1.00 0.00 H new ATOM 0 HA ILE A1089 8.701 11.278 15.955 1.00 0.00 H new ATOM 0 HB ILE A1089 9.936 9.489 17.426 1.00 0.00 H new ATOM 0 HG12 ILE A1089 8.242 7.937 18.507 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.167 8.280 17.166 1.00 0.00 H new ATOM 0 HG21 ILE A1089 8.476 10.129 19.339 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.813 11.514 18.273 1.00 0.00 H new ATOM 0 HG23 ILE A1089 7.239 10.689 18.189 1.00 0.00 H new ATOM 0 HD11 ILE A1089 8.354 6.177 16.820 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.824 7.369 15.585 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.916 7.020 16.947 1.00 0.00 H new ATOM 346 N GLU A1090 10.858 10.340 14.906 1.00 0.00 N ATOM 347 CA GLU A1090 11.943 9.972 13.990 1.00 0.00 C ATOM 348 C GLU A1090 12.303 8.497 14.166 1.00 0.00 C ATOM 349 O GLU A1090 12.567 8.043 15.281 1.00 0.00 O ATOM 350 CB GLU A1090 13.165 10.865 14.241 1.00 0.00 C ATOM 351 CG GLU A1090 14.231 10.809 13.146 1.00 0.00 C ATOM 352 CD GLU A1090 14.994 9.496 13.095 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.704 9.175 14.071 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.898 8.783 12.075 1.00 0.00 O ATOM 0 H GLU A1090 11.082 11.113 15.533 1.00 0.00 H new ATOM 0 HA GLU A1090 11.611 10.122 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.829 11.896 14.350 1.00 0.00 H new ATOM 0 HB3 GLU A1090 13.621 10.577 15.188 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.755 10.979 12.180 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.939 11.623 13.300 1.00 0.00 H new ATOM 361 N GLY A1091 12.296 7.756 13.066 1.00 0.00 N ATOM 362 CA GLY A1091 12.606 6.341 13.120 1.00 0.00 C ATOM 363 C GLY A1091 11.370 5.487 12.966 1.00 0.00 C ATOM 364 O GLY A1091 11.448 4.260 12.919 1.00 0.00 O ATOM 0 H GLY A1091 12.080 8.111 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A1091 13.318 6.095 12.332 1.00 0.00 H new ATOM 0 HA3 GLY A1091 13.090 6.111 14.069 1.00 0.00 H new ATOM 368 N GLU A1092 10.228 6.149 12.872 1.00 0.00 N ATOM 369 CA GLU A1092 8.948 5.474 12.750 1.00 0.00 C ATOM 370 C GLU A1092 8.707 5.044 11.310 1.00 0.00 C ATOM 371 O GLU A1092 9.319 5.567 10.376 1.00 0.00 O ATOM 372 CB GLU A1092 7.825 6.404 13.210 1.00 0.00 C ATOM 373 CG GLU A1092 6.483 5.733 13.429 1.00 0.00 C ATOM 374 CD GLU A1092 6.570 4.509 14.316 1.00 0.00 C ATOM 375 OE1 GLU A1092 6.978 3.441 13.814 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.226 4.608 15.508 1.00 0.00 O ATOM 0 H GLU A1092 10.163 7.167 12.878 1.00 0.00 H new ATOM 0 HA GLU A1092 8.961 4.585 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A1092 8.130 6.884 14.140 1.00 0.00 H new ATOM 0 HB3 GLU A1092 7.702 7.194 12.469 1.00 0.00 H new ATOM 0 HG2 GLU A1092 5.793 6.450 13.875 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.065 5.446 12.464 1.00 0.00 H new ATOM 383 N VAL A1093 7.805 4.101 11.145 1.00 0.00 N ATOM 384 CA VAL A1093 7.477 3.563 9.835 1.00 0.00 C ATOM 385 C VAL A1093 5.978 3.639 9.598 1.00 0.00 C ATOM 386 O VAL A1093 5.194 3.113 10.378 1.00 0.00 O ATOM 387 CB VAL A1093 7.937 2.098 9.687 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.603 1.567 8.306 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.426 1.975 9.955 1.00 0.00 C ATOM 0 H VAL A1093 7.277 3.684 11.911 1.00 0.00 H new ATOM 0 HA VAL A1093 8.004 4.166 9.096 1.00 0.00 H new ATOM 0 HB VAL A1093 7.403 1.499 10.424 1.00 0.00 H new ATOM 0 HG11 VAL A1093 7.936 0.532 8.224 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.525 1.615 8.149 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.107 2.172 7.552 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.731 0.934 9.846 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.976 2.591 9.243 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.642 2.312 10.969 1.00 0.00 H new ATOM 399 N ILE A1094 5.583 4.287 8.521 1.00 0.00 N ATOM 400 CA ILE A1094 4.170 4.482 8.228 1.00 0.00 C ATOM 401 C ILE A1094 3.808 3.808 6.903 1.00 0.00 C ATOM 402 O ILE A1094 4.566 3.885 5.936 1.00 0.00 O ATOM 403 CB ILE A1094 3.827 5.983 8.137 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.430 6.730 9.330 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.313 6.182 8.087 1.00 0.00 C ATOM 406 CD1 ILE A1094 4.383 8.234 9.200 1.00 0.00 C ATOM 0 H ILE A1094 6.218 4.689 7.831 1.00 0.00 H new ATOM 0 HA ILE A1094 3.596 4.035 9.040 1.00 0.00 H new ATOM 0 HB ILE A1094 4.254 6.388 7.219 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.899 6.437 10.235 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.467 6.418 9.454 1.00 0.00 H new ATOM 0 HG21 ILE A1094 2.088 7.247 8.023 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.908 5.672 7.213 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.862 5.769 8.989 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.829 8.690 10.084 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.940 8.540 8.314 1.00 0.00 H new ATOM 0 HD13 ILE A1094 3.347 8.559 9.108 1.00 0.00 H new ATOM 418 N ILE A1095 2.670 3.134 6.863 1.00 0.00 N ATOM 419 CA ILE A1095 2.168 2.551 5.627 1.00 0.00 C ATOM 420 C ILE A1095 1.238 3.548 4.939 1.00 0.00 C ATOM 421 O ILE A1095 0.246 3.981 5.527 1.00 0.00 O ATOM 422 CB ILE A1095 1.403 1.232 5.890 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.350 0.162 6.439 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.722 0.737 4.622 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.456 -0.224 5.479 1.00 0.00 C ATOM 0 H ILE A1095 2.074 2.976 7.675 1.00 0.00 H new ATOM 0 HA ILE A1095 3.021 2.325 4.988 1.00 0.00 H new ATOM 0 HB ILE A1095 0.633 1.431 6.635 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.795 0.525 7.365 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.772 -0.728 6.690 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.191 -0.191 4.833 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.014 1.488 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.472 0.559 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.086 -0.986 5.937 1.00 0.00 H new ATOM 0 HD12 ILE A1095 3.020 -0.618 4.561 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.059 0.654 5.247 1.00 0.00 H new ATOM 437 N VAL A1096 1.562 3.914 3.707 1.00 0.00 N ATOM 438 CA VAL A1096 0.789 4.912 2.978 1.00 0.00 C ATOM 439 C VAL A1096 -0.424 4.269 2.316 1.00 0.00 C ATOM 440 O VAL A1096 -0.286 3.400 1.456 1.00 0.00 O ATOM 441 CB VAL A1096 1.642 5.619 1.901 1.00 0.00 C ATOM 442 CG1 VAL A1096 0.856 6.743 1.242 1.00 0.00 C ATOM 443 CG2 VAL A1096 2.929 6.149 2.508 1.00 0.00 C ATOM 0 H VAL A1096 2.355 3.535 3.190 1.00 0.00 H new ATOM 0 HA VAL A1096 0.460 5.657 3.703 1.00 0.00 H new ATOM 0 HB VAL A1096 1.898 4.889 1.133 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.476 7.227 0.487 1.00 0.00 H new ATOM 0 HG12 VAL A1096 -0.037 6.334 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.565 7.475 1.996 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.518 6.644 1.736 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.692 6.862 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.502 5.321 2.927 1.00 0.00 H new ATOM 453 N THR A1097 -1.606 4.691 2.725 1.00 0.00 N ATOM 454 CA THR A1097 -2.839 4.158 2.180 1.00 0.00 C ATOM 455 C THR A1097 -3.484 5.139 1.205 1.00 0.00 C ATOM 456 O THR A1097 -4.335 4.759 0.399 1.00 0.00 O ATOM 457 CB THR A1097 -3.834 3.820 3.305 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.916 4.913 4.229 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.410 2.558 4.041 1.00 0.00 C ATOM 0 H THR A1097 -1.738 5.407 3.439 1.00 0.00 H new ATOM 0 HA THR A1097 -2.587 3.245 1.640 1.00 0.00 H new ATOM 0 HB THR A1097 -4.813 3.648 2.857 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.552 4.692 4.941 1.00 0.00 H new ATOM 0 HG21 THR A1097 -4.128 2.339 4.831 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.375 1.723 3.341 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.423 2.706 4.479 1.00 0.00 H new ATOM 467 N GLY A1098 -3.077 6.399 1.276 1.00 0.00 N ATOM 468 CA GLY A1098 -3.645 7.400 0.401 1.00 0.00 C ATOM 469 C GLY A1098 -2.814 8.665 0.326 1.00 0.00 C ATOM 470 O GLY A1098 -1.719 8.740 0.884 1.00 0.00 O ATOM 0 H GLY A1098 -2.366 6.743 1.922 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.750 6.982 -0.600 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.647 7.651 0.748 1.00 0.00 H new ATOM 474 N GLU A1099 -3.360 9.663 -0.341 1.00 0.00 N ATOM 475 CA GLU A1099 -2.689 10.928 -0.563 1.00 0.00 C ATOM 476 C GLU A1099 -3.738 12.009 -0.743 1.00 0.00 C ATOM 477 O GLU A1099 -4.755 11.791 -1.403 1.00 0.00 O ATOM 478 CB GLU A1099 -1.799 10.856 -1.813 1.00 0.00 C ATOM 479 CG GLU A1099 -1.181 12.189 -2.203 1.00 0.00 C ATOM 480 CD GLU A1099 -0.622 12.189 -3.609 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.474 11.628 -3.823 1.00 0.00 O ATOM 482 OE2 GLU A1099 -1.283 12.746 -4.510 1.00 0.00 O ATOM 0 H GLU A1099 -4.294 9.617 -0.749 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.056 11.156 0.295 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -1.002 10.133 -1.639 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.391 10.482 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -1.934 12.972 -2.117 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.384 12.434 -1.501 1.00 0.00 H new ATOM 489 N GLU A1100 -3.508 13.164 -0.152 1.00 0.00 N ATOM 490 CA GLU A1100 -4.437 14.269 -0.307 1.00 0.00 C ATOM 491 C GLU A1100 -3.723 15.440 -0.950 1.00 0.00 C ATOM 492 O GLU A1100 -4.262 16.113 -1.827 1.00 0.00 O ATOM 493 CB GLU A1100 -5.031 14.688 1.041 1.00 0.00 C ATOM 494 CG GLU A1100 -6.108 15.752 0.910 1.00 0.00 C ATOM 495 CD GLU A1100 -6.610 16.244 2.246 1.00 0.00 C ATOM 496 OE1 GLU A1100 -5.942 17.101 2.854 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.672 15.782 2.699 1.00 0.00 O ATOM 0 H GLU A1100 -2.697 13.363 0.433 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.259 13.945 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.452 13.812 1.535 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.234 15.063 1.682 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -5.713 16.595 0.343 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -6.944 15.348 0.339 1.00 0.00 H new ATOM 504 N ASP A1101 -2.493 15.649 -0.527 1.00 0.00 N ATOM 505 CA ASP A1101 -1.683 16.727 -1.045 1.00 0.00 C ATOM 506 C ASP A1101 -0.318 16.199 -1.442 1.00 0.00 C ATOM 507 O ASP A1101 0.036 15.069 -1.107 1.00 0.00 O ATOM 508 CB ASP A1101 -1.545 17.834 0.007 1.00 0.00 C ATOM 509 CG ASP A1101 -0.683 18.993 -0.448 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.120 19.748 -1.333 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.442 19.136 0.072 1.00 0.00 O ATOM 0 H ASP A1101 -2.031 15.079 0.181 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.167 17.147 -1.927 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.537 18.207 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -1.120 17.410 0.916 1.00 0.00 H new ATOM 516 N GLN A1102 0.435 17.015 -2.144 1.00 0.00 N ATOM 517 CA GLN A1102 1.795 16.680 -2.532 1.00 0.00 C ATOM 518 C GLN A1102 2.636 16.408 -1.296 1.00 0.00 C ATOM 519 O GLN A1102 3.467 15.493 -1.270 1.00 0.00 O ATOM 520 CB GLN A1102 2.405 17.844 -3.320 1.00 0.00 C ATOM 521 CG GLN A1102 3.918 17.771 -3.454 1.00 0.00 C ATOM 522 CD GLN A1102 4.518 19.039 -4.024 1.00 0.00 C ATOM 523 OE1 GLN A1102 4.881 19.954 -3.290 1.00 0.00 O ATOM 524 NE2 GLN A1102 4.620 19.103 -5.339 1.00 0.00 N ATOM 0 H GLN A1102 0.125 17.932 -2.465 1.00 0.00 H new ATOM 0 HA GLN A1102 1.778 15.786 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.963 17.867 -4.316 1.00 0.00 H new ATOM 0 HB3 GLN A1102 2.138 18.781 -2.831 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.356 17.575 -2.475 1.00 0.00 H new ATOM 0 HG3 GLN A1102 4.181 16.930 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A1102 4.307 18.321 -5.914 1.00 0.00 H new ATOM 0 HE22 GLN A1102 5.012 19.935 -5.780 1.00 0.00 H new ATOM 533 N GLU A1103 2.385 17.196 -0.270 1.00 0.00 N ATOM 534 CA GLU A1103 3.204 17.193 0.914 1.00 0.00 C ATOM 535 C GLU A1103 2.451 16.583 2.094 1.00 0.00 C ATOM 536 O GLU A1103 2.910 16.634 3.235 1.00 0.00 O ATOM 537 CB GLU A1103 3.601 18.631 1.210 1.00 0.00 C ATOM 538 CG GLU A1103 4.818 18.758 2.087 1.00 0.00 C ATOM 539 CD GLU A1103 5.210 20.201 2.313 1.00 0.00 C ATOM 540 OE1 GLU A1103 4.523 21.101 1.783 1.00 0.00 O ATOM 541 OE2 GLU A1103 6.212 20.447 3.016 1.00 0.00 O ATOM 0 H GLU A1103 1.607 17.854 -0.239 1.00 0.00 H new ATOM 0 HA GLU A1103 4.094 16.584 0.753 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.788 19.147 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A1103 2.764 19.137 1.691 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.623 18.281 3.048 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.651 18.224 1.630 1.00 0.00 H new ATOM 548 N TRP A1104 1.300 15.999 1.811 1.00 0.00 N ATOM 549 CA TRP A1104 0.462 15.405 2.851 1.00 0.00 C ATOM 550 C TRP A1104 -0.168 14.099 2.382 1.00 0.00 C ATOM 551 O TRP A1104 -1.096 14.095 1.563 1.00 0.00 O ATOM 552 CB TRP A1104 -0.635 16.374 3.287 1.00 0.00 C ATOM 553 CG TRP A1104 -0.137 17.511 4.129 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.377 18.694 3.689 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.120 17.572 5.560 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.719 19.486 4.756 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.419 18.821 5.915 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.511 16.694 6.573 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.573 19.213 7.240 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.355 17.085 7.888 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.181 18.336 8.211 1.00 0.00 C ATOM 0 H TRP A1104 0.919 15.921 0.868 1.00 0.00 H new ATOM 0 HA TRP A1104 1.109 15.192 3.702 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.124 16.777 2.400 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.392 15.824 3.846 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.498 18.968 2.651 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.130 20.418 4.696 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.928 15.727 6.332 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 0.988 20.177 7.493 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.652 16.414 8.680 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.287 18.614 9.249 1.00 0.00 H new ATOM 572 N TRP A1105 0.333 12.994 2.913 1.00 0.00 N ATOM 573 CA TRP A1105 -0.154 11.674 2.535 1.00 0.00 C ATOM 574 C TRP A1105 -0.904 11.034 3.688 1.00 0.00 C ATOM 575 O TRP A1105 -0.762 11.441 4.839 1.00 0.00 O ATOM 576 CB TRP A1105 1.006 10.780 2.085 1.00 0.00 C ATOM 577 CG TRP A1105 1.603 11.220 0.782 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.302 12.358 0.105 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.592 10.542 0.002 1.00 0.00 C ATOM 580 NE1 TRP A1105 2.028 12.439 -1.050 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.838 11.332 -1.138 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.293 9.345 0.155 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.757 10.960 -2.116 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.203 8.978 -0.814 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.429 9.782 -1.936 1.00 0.00 C ATOM 0 H TRP A1105 1.079 12.984 3.609 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.843 11.789 1.698 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.779 10.781 2.853 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.652 9.753 1.990 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.587 13.098 0.434 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.977 13.195 -1.733 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.126 8.717 1.017 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.933 11.578 -2.984 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.751 8.054 -0.705 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.149 9.466 -2.676 1.00 0.00 H new ATOM 596 N ILE A1106 -1.698 10.029 3.375 1.00 0.00 N ATOM 597 CA ILE A1106 -2.554 9.401 4.363 1.00 0.00 C ATOM 598 C ILE A1106 -2.143 7.957 4.560 1.00 0.00 C ATOM 599 O ILE A1106 -1.802 7.270 3.598 1.00 0.00 O ATOM 600 CB ILE A1106 -4.028 9.441 3.918 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.429 10.862 3.526 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.935 8.917 5.024 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.783 10.935 2.866 1.00 0.00 C ATOM 0 H ILE A1106 -1.768 9.628 2.440 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.448 9.951 5.298 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.142 8.797 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.431 11.491 4.416 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.679 11.271 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.972 8.953 4.691 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.665 7.888 5.259 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.818 9.535 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.009 11.971 2.612 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.778 10.332 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.542 10.555 3.550 1.00 0.00 H new ATOM 615 N GLY A1107 -2.144 7.500 5.797 1.00 0.00 N ATOM 616 CA GLY A1107 -1.852 6.113 6.052 1.00 0.00 C ATOM 617 C GLY A1107 -1.906 5.767 7.515 1.00 0.00 C ATOM 618 O GLY A1107 -2.408 6.542 8.330 1.00 0.00 O ATOM 0 H GLY A1107 -2.341 8.062 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.563 5.491 5.509 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.861 5.877 5.664 1.00 0.00 H new ATOM 622 N HIS A1108 -1.373 4.607 7.842 1.00 0.00 N ATOM 623 CA HIS A1108 -1.334 4.133 9.214 1.00 0.00 C ATOM 624 C HIS A1108 0.019 3.505 9.479 1.00 0.00 C ATOM 625 O HIS A1108 0.586 2.836 8.616 1.00 0.00 O ATOM 626 CB HIS A1108 -2.475 3.141 9.520 1.00 0.00 C ATOM 627 CG HIS A1108 -2.471 1.896 8.680 1.00 0.00 C ATOM 628 ND1 HIS A1108 -3.329 1.701 7.622 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.720 0.771 8.762 1.00 0.00 C ATOM 630 CE1 HIS A1108 -3.101 0.518 7.083 1.00 0.00 C ATOM 631 NE2 HIS A1108 -2.130 -0.065 7.756 1.00 0.00 N ATOM 0 H HIS A1108 -0.955 3.966 7.167 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.481 4.984 9.879 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.416 2.854 10.570 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.428 3.652 9.382 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.943 0.570 9.485 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.622 0.099 6.235 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.745 -0.989 7.560 1.00 0.00 H new ATOM 640 N ILE A1109 0.531 3.740 10.665 1.00 0.00 N ATOM 641 CA ILE A1109 1.875 3.343 11.020 1.00 0.00 C ATOM 642 C ILE A1109 2.030 1.828 11.076 1.00 0.00 C ATOM 643 O ILE A1109 1.213 1.118 11.664 1.00 0.00 O ATOM 644 CB ILE A1109 2.283 4.014 12.344 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.449 5.515 12.075 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.547 3.397 12.930 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.092 6.292 13.194 1.00 0.00 C ATOM 0 H ILE A1109 0.026 4.214 11.414 1.00 0.00 H new ATOM 0 HA ILE A1109 2.552 3.684 10.237 1.00 0.00 H new ATOM 0 HB ILE A1109 1.508 3.855 13.094 1.00 0.00 H new ATOM 0 HG12 ILE A1109 3.047 5.644 11.173 1.00 0.00 H new ATOM 0 HG13 ILE A1109 1.468 5.944 11.871 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.799 3.900 13.863 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.379 2.337 13.123 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.369 3.511 12.223 1.00 0.00 H new ATOM 0 HD11 ILE A1109 3.167 7.342 12.912 1.00 0.00 H new ATOM 0 HD12 ILE A1109 2.486 6.201 14.095 1.00 0.00 H new ATOM 0 HD13 ILE A1109 4.089 5.896 13.386 1.00 0.00 H new ATOM 659 N GLU A1110 3.096 1.356 10.443 1.00 0.00 N ATOM 660 CA GLU A1110 3.355 -0.061 10.289 1.00 0.00 C ATOM 661 C GLU A1110 3.777 -0.644 11.630 1.00 0.00 C ATOM 662 O GLU A1110 4.849 -0.325 12.147 1.00 0.00 O ATOM 663 CB GLU A1110 4.444 -0.249 9.227 1.00 0.00 C ATOM 664 CG GLU A1110 4.551 -1.659 8.668 1.00 0.00 C ATOM 665 CD GLU A1110 5.278 -2.610 9.588 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.519 -2.521 9.670 1.00 0.00 O ATOM 667 OE2 GLU A1110 4.615 -3.447 10.225 1.00 0.00 O ATOM 0 H GLU A1110 3.807 1.953 10.021 1.00 0.00 H new ATOM 0 HA GLU A1110 2.457 -0.585 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A1110 4.252 0.440 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.405 0.030 9.659 1.00 0.00 H new ATOM 0 HG2 GLU A1110 3.549 -2.044 8.476 1.00 0.00 H new ATOM 0 HG3 GLU A1110 5.068 -1.624 7.709 1.00 0.00 H new ATOM 674 N GLY A1111 2.914 -1.468 12.197 1.00 0.00 N ATOM 675 CA GLY A1111 3.179 -2.045 13.494 1.00 0.00 C ATOM 676 C GLY A1111 2.228 -1.515 14.544 1.00 0.00 C ATOM 677 O GLY A1111 2.162 -2.037 15.655 1.00 0.00 O ATOM 0 H GLY A1111 2.028 -1.749 11.778 1.00 0.00 H new ATOM 0 HA2 GLY A1111 3.089 -3.130 13.435 1.00 0.00 H new ATOM 0 HA3 GLY A1111 4.205 -1.825 13.788 1.00 0.00 H new ATOM 681 N GLN A1112 1.481 -0.482 14.185 1.00 0.00 N ATOM 682 CA GLN A1112 0.528 0.127 15.098 1.00 0.00 C ATOM 683 C GLN A1112 -0.618 0.755 14.307 1.00 0.00 C ATOM 684 O GLN A1112 -0.602 1.951 14.009 1.00 0.00 O ATOM 685 CB GLN A1112 1.228 1.176 15.964 1.00 0.00 C ATOM 686 CG GLN A1112 0.379 1.701 17.111 1.00 0.00 C ATOM 687 CD GLN A1112 -0.080 0.610 18.062 1.00 0.00 C ATOM 688 OE1 GLN A1112 0.577 -0.417 18.218 1.00 0.00 O ATOM 689 NE2 GLN A1112 -1.200 0.841 18.726 1.00 0.00 N ATOM 0 H GLN A1112 1.518 -0.047 13.263 1.00 0.00 H new ATOM 0 HA GLN A1112 0.117 -0.640 15.754 1.00 0.00 H new ATOM 0 HB2 GLN A1112 2.142 0.744 16.371 1.00 0.00 H new ATOM 0 HB3 GLN A1112 1.525 2.014 15.333 1.00 0.00 H new ATOM 0 HG2 GLN A1112 0.951 2.443 17.668 1.00 0.00 H new ATOM 0 HG3 GLN A1112 -0.494 2.211 16.705 1.00 0.00 H new ATOM 0 HE21 GLN A1112 -1.717 1.706 18.569 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -1.547 0.154 19.396 1.00 0.00 H new ATOM 698 N PRO A1113 -1.629 -0.057 13.958 1.00 0.00 N ATOM 699 CA PRO A1113 -2.739 0.361 13.088 1.00 0.00 C ATOM 700 C PRO A1113 -3.584 1.484 13.682 1.00 0.00 C ATOM 701 O PRO A1113 -4.279 2.190 12.956 1.00 0.00 O ATOM 702 CB PRO A1113 -3.583 -0.910 12.933 1.00 0.00 C ATOM 703 CG PRO A1113 -2.688 -2.028 13.339 1.00 0.00 C ATOM 704 CD PRO A1113 -1.772 -1.459 14.381 1.00 0.00 C ATOM 0 HA PRO A1113 -2.365 0.764 12.147 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.473 -0.870 13.561 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -3.924 -1.033 11.905 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -3.263 -2.864 13.738 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -2.124 -2.407 12.487 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.198 -1.538 15.381 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -0.812 -1.975 14.402 1.00 0.00 H new ATOM 712 N GLU A1114 -3.523 1.651 14.998 1.00 0.00 N ATOM 713 CA GLU A1114 -4.261 2.716 15.668 1.00 0.00 C ATOM 714 C GLU A1114 -3.648 4.079 15.385 1.00 0.00 C ATOM 715 O GLU A1114 -4.257 5.116 15.658 1.00 0.00 O ATOM 716 CB GLU A1114 -4.313 2.478 17.175 1.00 0.00 C ATOM 717 CG GLU A1114 -5.572 1.771 17.638 1.00 0.00 C ATOM 718 CD GLU A1114 -5.758 0.413 16.997 1.00 0.00 C ATOM 719 OE1 GLU A1114 -5.121 -0.555 17.457 1.00 0.00 O ATOM 720 OE2 GLU A1114 -6.551 0.304 16.038 1.00 0.00 O ATOM 0 H GLU A1114 -2.971 1.063 15.622 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.276 2.704 15.271 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -3.446 1.887 17.471 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -4.236 3.437 17.688 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -5.539 1.654 18.721 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -6.437 2.395 17.411 1.00 0.00 H new ATOM 727 N ARG A1115 -2.443 4.091 14.846 1.00 0.00 N ATOM 728 CA ARG A1115 -1.823 5.342 14.473 1.00 0.00 C ATOM 729 C ARG A1115 -2.053 5.599 12.996 1.00 0.00 C ATOM 730 O ARG A1115 -1.249 5.205 12.157 1.00 0.00 O ATOM 731 CB ARG A1115 -0.321 5.326 14.774 1.00 0.00 C ATOM 732 CG ARG A1115 0.006 5.089 16.235 1.00 0.00 C ATOM 733 CD ARG A1115 1.506 5.085 16.489 1.00 0.00 C ATOM 734 NE ARG A1115 1.818 4.629 17.844 1.00 0.00 N ATOM 735 CZ ARG A1115 2.965 4.047 18.198 1.00 0.00 C ATOM 736 NH1 ARG A1115 3.969 3.963 17.332 1.00 0.00 N ATOM 737 NH2 ARG A1115 3.116 3.571 19.428 1.00 0.00 N ATOM 0 H ARG A1115 -1.883 3.259 14.660 1.00 0.00 H new ATOM 0 HA ARG A1115 -2.275 6.141 15.060 1.00 0.00 H new ATOM 0 HB2 ARG A1115 0.152 4.549 14.174 1.00 0.00 H new ATOM 0 HB3 ARG A1115 0.113 6.277 14.463 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -0.463 5.864 16.842 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -0.418 4.136 16.552 1.00 0.00 H new ATOM 0 HD2 ARG A1115 1.997 4.437 15.763 1.00 0.00 H new ATOM 0 HD3 ARG A1115 1.904 6.089 16.341 1.00 0.00 H new ATOM 0 HE ARG A1115 1.111 4.765 18.566 1.00 0.00 H new ATOM 0 HH11 ARG A1115 3.865 4.344 16.392 1.00 0.00 H new ATOM 0 HH12 ARG A1115 4.844 3.517 17.607 1.00 0.00 H new ATOM 0 HH21 ARG A1115 2.355 3.650 20.103 1.00 0.00 H new ATOM 0 HH22 ARG A1115 3.993 3.126 19.699 1.00 0.00 H new ATOM 751 N LYS A1116 -3.161 6.248 12.683 1.00 0.00 N ATOM 752 CA LYS A1116 -3.477 6.596 11.307 1.00 0.00 C ATOM 753 C LYS A1116 -3.881 8.052 11.215 1.00 0.00 C ATOM 754 O LYS A1116 -4.420 8.617 12.162 1.00 0.00 O ATOM 755 CB LYS A1116 -4.590 5.714 10.717 1.00 0.00 C ATOM 756 CG LYS A1116 -5.301 4.809 11.711 1.00 0.00 C ATOM 757 CD LYS A1116 -6.207 5.575 12.662 1.00 0.00 C ATOM 758 CE LYS A1116 -7.493 6.055 11.989 1.00 0.00 C ATOM 759 NZ LYS A1116 -7.290 7.262 11.136 1.00 0.00 N ATOM 0 H LYS A1116 -3.859 6.546 13.364 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.574 6.422 10.721 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.331 6.360 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.160 5.094 9.930 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.893 4.073 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.559 4.257 12.288 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.461 4.938 13.509 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.667 6.434 13.060 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -7.899 5.249 11.378 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -8.235 6.279 12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -8.094 7.911 11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -6.412 7.742 11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -7.223 6.975 10.139 1.00 0.00 H new ATOM 773 N GLY A1117 -3.613 8.646 10.074 1.00 0.00 N ATOM 774 CA GLY A1117 -3.924 10.037 9.870 1.00 0.00 C ATOM 775 C GLY A1117 -3.237 10.559 8.643 1.00 0.00 C ATOM 776 O GLY A1117 -2.772 9.775 7.806 1.00 0.00 O ATOM 0 H GLY A1117 -3.180 8.184 9.274 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.002 10.163 9.771 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -3.614 10.616 10.740 1.00 0.00 H new ATOM 780 N VAL A1118 -3.175 11.868 8.520 1.00 0.00 N ATOM 781 CA VAL A1118 -2.479 12.478 7.412 1.00 0.00 C ATOM 782 C VAL A1118 -1.136 13.017 7.884 1.00 0.00 C ATOM 783 O VAL A1118 -1.067 13.846 8.793 1.00 0.00 O ATOM 784 CB VAL A1118 -3.308 13.608 6.776 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.726 14.015 5.429 1.00 0.00 C ATOM 786 CG2 VAL A1118 -4.762 13.181 6.633 1.00 0.00 C ATOM 0 H VAL A1118 -3.598 12.527 9.173 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.320 11.715 6.650 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.268 14.477 7.433 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.329 14.815 4.999 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.703 14.365 5.566 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -2.729 13.157 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.336 13.990 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -4.821 12.297 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.172 12.950 7.616 1.00 0.00 H new ATOM 796 N PHE A1119 -0.076 12.511 7.284 1.00 0.00 N ATOM 797 CA PHE A1119 1.276 12.879 7.665 1.00 0.00 C ATOM 798 C PHE A1119 1.957 13.718 6.590 1.00 0.00 C ATOM 799 O PHE A1119 1.870 13.419 5.396 1.00 0.00 O ATOM 800 CB PHE A1119 2.109 11.625 7.970 1.00 0.00 C ATOM 801 CG PHE A1119 1.959 10.507 6.973 1.00 0.00 C ATOM 802 CD1 PHE A1119 0.923 9.599 7.095 1.00 0.00 C ATOM 803 CD2 PHE A1119 2.856 10.355 5.927 1.00 0.00 C ATOM 804 CE1 PHE A1119 0.781 8.563 6.200 1.00 0.00 C ATOM 805 CE2 PHE A1119 2.720 9.314 5.027 1.00 0.00 C ATOM 806 CZ PHE A1119 1.677 8.417 5.165 1.00 0.00 C ATOM 0 H PHE A1119 -0.126 11.836 6.521 1.00 0.00 H new ATOM 0 HA PHE A1119 1.208 13.488 8.567 1.00 0.00 H new ATOM 0 HB2 PHE A1119 3.160 11.908 8.021 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.831 11.253 8.956 1.00 0.00 H new ATOM 0 HD1 PHE A1119 0.215 9.704 7.904 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.669 11.057 5.814 1.00 0.00 H new ATOM 0 HE1 PHE A1119 -0.035 7.864 6.310 1.00 0.00 H new ATOM 0 HE2 PHE A1119 3.427 9.202 4.218 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.565 7.604 4.463 1.00 0.00 H new ATOM 816 N PRO A1120 2.631 14.797 7.014 1.00 0.00 N ATOM 817 CA PRO A1120 3.404 15.646 6.113 1.00 0.00 C ATOM 818 C PRO A1120 4.641 14.931 5.584 1.00 0.00 C ATOM 819 O PRO A1120 5.458 14.423 6.357 1.00 0.00 O ATOM 820 CB PRO A1120 3.817 16.835 6.983 1.00 0.00 C ATOM 821 CG PRO A1120 3.726 16.350 8.389 1.00 0.00 C ATOM 822 CD PRO A1120 2.673 15.278 8.406 1.00 0.00 C ATOM 0 HA PRO A1120 2.826 15.933 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.829 17.162 6.745 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.159 17.689 6.819 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.685 15.956 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.461 17.164 9.063 1.00 0.00 H new ATOM 0 HD2 PRO A1120 2.931 14.476 9.098 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.707 15.672 8.721 1.00 0.00 H new ATOM 830 N VAL A1121 4.775 14.908 4.264 1.00 0.00 N ATOM 831 CA VAL A1121 5.934 14.312 3.613 1.00 0.00 C ATOM 832 C VAL A1121 7.196 15.101 3.981 1.00 0.00 C ATOM 833 O VAL A1121 8.317 14.617 3.845 1.00 0.00 O ATOM 834 CB VAL A1121 5.753 14.259 2.074 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.961 13.629 1.394 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.482 13.496 1.702 1.00 0.00 C ATOM 0 H VAL A1121 4.089 15.299 3.619 1.00 0.00 H new ATOM 0 HA VAL A1121 6.037 13.286 3.966 1.00 0.00 H new ATOM 0 HB VAL A1121 5.661 15.286 1.720 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.801 13.607 0.316 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.852 14.216 1.617 1.00 0.00 H new ATOM 0 HG13 VAL A1121 7.096 12.612 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.376 13.472 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.545 12.477 2.083 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.617 13.994 2.140 1.00 0.00 H new ATOM 846 N SER A1122 6.984 16.310 4.490 1.00 0.00 N ATOM 847 CA SER A1122 8.062 17.183 4.934 1.00 0.00 C ATOM 848 C SER A1122 8.907 16.530 6.026 1.00 0.00 C ATOM 849 O SER A1122 10.103 16.791 6.141 1.00 0.00 O ATOM 850 CB SER A1122 7.460 18.478 5.467 1.00 0.00 C ATOM 851 OG SER A1122 6.163 18.682 4.938 1.00 0.00 O ATOM 0 H SER A1122 6.054 16.713 4.606 1.00 0.00 H new ATOM 0 HA SER A1122 8.714 17.382 4.083 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.413 18.442 6.555 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.102 19.319 5.204 1.00 0.00 H new ATOM 0 HG SER A1122 6.124 19.555 4.494 1.00 0.00 H new ATOM 857 N PHE A1123 8.280 15.679 6.827 1.00 0.00 N ATOM 858 CA PHE A1123 8.947 15.104 7.984 1.00 0.00 C ATOM 859 C PHE A1123 9.238 13.616 7.766 1.00 0.00 C ATOM 860 O PHE A1123 9.692 12.920 8.679 1.00 0.00 O ATOM 861 CB PHE A1123 8.086 15.278 9.245 1.00 0.00 C ATOM 862 CG PHE A1123 7.780 16.707 9.655 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.365 17.656 8.730 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.870 17.088 10.987 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.051 18.940 9.115 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.549 18.375 11.385 1.00 0.00 C ATOM 867 CZ PHE A1123 7.136 19.304 10.441 1.00 0.00 C ATOM 0 H PHE A1123 7.316 15.374 6.697 1.00 0.00 H new ATOM 0 HA PHE A1123 9.892 15.631 8.118 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.142 14.756 9.090 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.590 14.784 10.075 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.287 17.381 7.688 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.196 16.369 11.724 1.00 0.00 H new ATOM 0 HE1 PHE A1123 6.738 19.663 8.376 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.620 18.654 12.426 1.00 0.00 H new ATOM 0 HZ PHE A1123 6.882 20.309 10.745 1.00 0.00 H new ATOM 877 N VAL A1124 8.985 13.124 6.557 1.00 0.00 N ATOM 878 CA VAL A1124 9.167 11.700 6.261 1.00 0.00 C ATOM 879 C VAL A1124 9.893 11.477 4.933 1.00 0.00 C ATOM 880 O VAL A1124 10.231 12.425 4.225 1.00 0.00 O ATOM 881 CB VAL A1124 7.821 10.935 6.228 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.208 10.852 7.612 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.847 11.586 5.266 1.00 0.00 C ATOM 0 H VAL A1124 8.656 13.682 5.769 1.00 0.00 H new ATOM 0 HA VAL A1124 9.780 11.308 7.073 1.00 0.00 H new ATOM 0 HB VAL A1124 8.028 9.923 5.879 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.264 10.310 7.560 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.891 10.328 8.281 1.00 0.00 H new ATOM 0 HG13 VAL A1124 7.028 11.858 7.991 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.911 11.028 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.657 12.612 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.272 11.586 4.262 1.00 0.00 H new ATOM 893 N HIS A1125 10.151 10.212 4.619 1.00 0.00 N ATOM 894 CA HIS A1125 10.791 9.828 3.363 1.00 0.00 C ATOM 895 C HIS A1125 10.137 8.575 2.800 1.00 0.00 C ATOM 896 O HIS A1125 9.680 7.717 3.553 1.00 0.00 O ATOM 897 CB HIS A1125 12.288 9.581 3.572 1.00 0.00 C ATOM 898 CG HIS A1125 13.154 10.745 3.200 1.00 0.00 C ATOM 899 ND1 HIS A1125 12.699 12.044 3.160 1.00 0.00 N ATOM 900 CD2 HIS A1125 14.458 10.795 2.844 1.00 0.00 C ATOM 901 CE1 HIS A1125 13.686 12.843 2.800 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.767 12.111 2.602 1.00 0.00 N ATOM 0 H HIS A1125 9.923 9.424 5.226 1.00 0.00 H new ATOM 0 HA HIS A1125 10.667 10.646 2.654 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.462 9.331 4.619 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.589 8.714 2.983 1.00 0.00 H new ATOM 0 HD1 HIS A1125 11.748 12.342 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A1125 15.132 9.955 2.765 1.00 0.00 H new ATOM 0 HE1 HIS A1125 13.620 13.915 2.686 1.00 0.00 H new ATOM 911 N ILE A1126 10.100 8.476 1.478 1.00 0.00 N ATOM 912 CA ILE A1126 9.462 7.351 0.809 1.00 0.00 C ATOM 913 C ILE A1126 10.439 6.189 0.650 1.00 0.00 C ATOM 914 O ILE A1126 11.531 6.346 0.102 1.00 0.00 O ATOM 915 CB ILE A1126 8.885 7.754 -0.577 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.591 8.570 -0.425 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.623 6.525 -1.440 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.783 9.992 0.064 1.00 0.00 C ATOM 0 H ILE A1126 10.507 9.165 0.845 1.00 0.00 H new ATOM 0 HA ILE A1126 8.631 7.033 1.439 1.00 0.00 H new ATOM 0 HB ILE A1126 9.632 8.376 -1.070 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.082 8.599 -1.389 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.931 8.049 0.269 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.220 6.836 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.556 5.984 -1.595 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.905 5.875 -0.939 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.814 10.485 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.260 9.978 1.044 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.414 10.536 -0.639 1.00 0.00 H new ATOM 930 N LEU A1127 10.042 5.028 1.154 1.00 0.00 N ATOM 931 CA LEU A1127 10.862 3.826 1.075 1.00 0.00 C ATOM 932 C LEU A1127 10.210 2.788 0.181 1.00 0.00 C ATOM 933 O LEU A1127 10.808 2.342 -0.796 1.00 0.00 O ATOM 934 CB LEU A1127 11.076 3.208 2.462 1.00 0.00 C ATOM 935 CG LEU A1127 12.152 3.854 3.336 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.778 5.277 3.697 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.365 3.030 4.593 1.00 0.00 C ATOM 0 H LEU A1127 9.148 4.893 1.626 1.00 0.00 H new ATOM 0 HA LEU A1127 11.825 4.122 0.658 1.00 0.00 H new ATOM 0 HB2 LEU A1127 10.130 3.245 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.328 2.156 2.332 1.00 0.00 H new ATOM 0 HG LEU A1127 13.082 3.884 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A1127 12.560 5.712 4.319 1.00 0.00 H new ATOM 0 HD12 LEU A1127 11.668 5.866 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A1127 10.836 5.278 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.133 3.498 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A1127 11.432 2.976 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.683 2.024 4.319 1.00 0.00 H new ATOM 949 N SER A1128 8.983 2.409 0.525 1.00 0.00 N ATOM 950 CA SER A1128 8.295 1.312 -0.143 1.00 0.00 C ATOM 951 C SER A1128 9.179 0.066 -0.107 1.00 0.00 C ATOM 952 O SER A1128 9.352 -0.637 -1.105 1.00 0.00 O ATOM 953 CB SER A1128 7.932 1.706 -1.579 1.00 0.00 C ATOM 954 OG SER A1128 7.246 2.946 -1.602 1.00 0.00 O ATOM 0 H SER A1128 8.442 2.850 1.269 1.00 0.00 H new ATOM 0 HA SER A1128 7.364 1.089 0.378 1.00 0.00 H new ATOM 0 HB2 SER A1128 8.837 1.775 -2.182 1.00 0.00 H new ATOM 0 HB3 SER A1128 7.309 0.932 -2.027 1.00 0.00 H new ATOM 0 HG SER A1128 7.025 3.180 -2.528 1.00 0.00 H new ATOM 960 N ASP A1129 9.758 -0.168 1.064 1.00 0.00 N ATOM 961 CA ASP A1129 10.673 -1.274 1.284 1.00 0.00 C ATOM 962 C ASP A1129 10.526 -1.777 2.708 1.00 0.00 C ATOM 963 O ASP A1129 10.234 -2.974 2.891 1.00 0.00 O ATOM 964 CB ASP A1129 12.118 -0.838 1.022 1.00 0.00 C ATOM 965 CG ASP A1129 13.123 -1.922 1.358 1.00 0.00 C ATOM 966 OD1 ASP A1129 13.127 -2.972 0.678 1.00 0.00 O ATOM 967 OD2 ASP A1129 13.933 -1.720 2.287 1.00 0.00 O ATOM 968 OXT ASP A1129 10.656 -0.957 3.640 1.00 0.00 O ATOM 0 H ASP A1129 9.603 0.409 1.891 1.00 0.00 H new ATOM 0 HA ASP A1129 10.429 -2.079 0.590 1.00 0.00 H new ATOM 0 HB2 ASP A1129 12.226 -0.560 -0.026 1.00 0.00 H new ATOM 0 HB3 ASP A1129 12.338 0.052 1.612 1.00 0.00 H new ATOM 974 N CYS B1578 17.740 8.076 12.597 1.00 0.00 N ATOM 975 CA CYS B1578 18.695 9.125 12.183 1.00 0.00 C ATOM 976 C CYS B1578 17.940 10.387 11.798 1.00 0.00 C ATOM 977 O CYS B1578 17.330 10.443 10.733 1.00 0.00 O ATOM 978 CB CYS B1578 19.516 8.656 10.978 1.00 0.00 C ATOM 979 SG CYS B1578 20.282 7.028 11.179 1.00 0.00 S ATOM 0 HA CYS B1578 19.363 9.330 13.020 1.00 0.00 H new ATOM 0 HB2 CYS B1578 18.870 8.634 10.101 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.298 9.389 10.779 1.00 0.00 H new ATOM 0 HG CYS B1578 20.949 6.727 10.105 1.00 0.00 H new ATOM 987 N ILE B1579 17.961 11.388 12.671 1.00 0.00 N ATOM 988 CA ILE B1579 17.314 12.658 12.377 1.00 0.00 C ATOM 989 C ILE B1579 17.944 13.309 11.160 1.00 0.00 C ATOM 990 O ILE B1579 19.169 13.399 11.048 1.00 0.00 O ATOM 991 CB ILE B1579 17.390 13.647 13.561 1.00 0.00 C ATOM 992 CG1 ILE B1579 16.554 13.151 14.741 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.930 15.039 13.133 1.00 0.00 C ATOM 994 CD1 ILE B1579 16.428 14.177 15.844 1.00 0.00 C ATOM 0 H ILE B1579 18.417 11.344 13.583 1.00 0.00 H new ATOM 0 HA ILE B1579 16.265 12.431 12.185 1.00 0.00 H new ATOM 0 HB ILE B1579 18.430 13.709 13.880 1.00 0.00 H new ATOM 0 HG12 ILE B1579 15.559 12.881 14.387 1.00 0.00 H new ATOM 0 HG13 ILE B1579 17.006 12.245 15.144 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.992 15.720 13.982 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.570 15.403 12.329 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.899 14.990 12.782 1.00 0.00 H new ATOM 0 HD11 ILE B1579 15.824 13.768 16.654 1.00 0.00 H new ATOM 0 HD12 ILE B1579 17.419 14.429 16.222 1.00 0.00 H new ATOM 0 HD13 ILE B1579 15.950 15.075 15.453 1.00 0.00 H new ATOM 1006 N ILE B1580 17.105 13.735 10.240 1.00 0.00 N ATOM 1007 CA ILE B1580 17.563 14.494 9.100 1.00 0.00 C ATOM 1008 C ILE B1580 17.591 15.966 9.464 1.00 0.00 C ATOM 1009 O ILE B1580 16.595 16.503 9.902 1.00 0.00 O ATOM 1010 CB ILE B1580 16.658 14.251 7.858 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.133 13.027 7.082 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.606 15.464 6.938 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.115 11.765 7.900 1.00 0.00 C ATOM 0 H ILE B1580 16.099 13.567 10.261 1.00 0.00 H new ATOM 0 HA ILE B1580 18.568 14.164 8.836 1.00 0.00 H new ATOM 0 HB ILE B1580 15.648 14.075 8.228 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.501 12.893 6.204 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.146 13.204 6.721 1.00 0.00 H new ATOM 0 HG21 ILE B1580 15.962 15.247 6.086 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.208 16.319 7.485 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.611 15.696 6.584 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.464 10.931 7.291 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.769 11.882 8.764 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.099 11.566 8.239 1.00 0.00 H new ATOM 1025 N SER B1581 18.762 16.571 9.376 1.00 0.00 N ATOM 1026 CA SER B1581 18.906 18.017 9.471 1.00 0.00 C ATOM 1027 C SER B1581 18.279 18.602 10.743 1.00 0.00 C ATOM 1028 O SER B1581 18.152 17.927 11.769 1.00 0.00 O ATOM 1029 CB SER B1581 18.251 18.647 8.246 1.00 0.00 C ATOM 1030 OG SER B1581 18.791 18.115 7.046 1.00 0.00 O ATOM 0 H SER B1581 19.642 16.075 9.236 1.00 0.00 H new ATOM 0 HA SER B1581 19.971 18.243 9.516 1.00 0.00 H new ATOM 0 HB2 SER B1581 17.176 18.471 8.274 1.00 0.00 H new ATOM 0 HB3 SER B1581 18.397 19.727 8.267 1.00 0.00 H new ATOM 0 HG SER B1581 18.353 18.534 6.276 1.00 0.00 H new ATOM 1036 N ALA B1582 17.941 19.885 10.672 1.00 0.00 N ATOM 1037 CA ALA B1582 17.136 20.532 11.689 1.00 0.00 C ATOM 1038 C ALA B1582 15.666 20.443 11.300 1.00 0.00 C ATOM 1039 O ALA B1582 15.346 20.258 10.126 1.00 0.00 O ATOM 1040 CB ALA B1582 17.556 21.983 11.859 1.00 0.00 C ATOM 0 H ALA B1582 18.219 20.500 9.908 1.00 0.00 H new ATOM 0 HA ALA B1582 17.286 20.025 12.642 1.00 0.00 H new ATOM 0 HB1 ALA B1582 16.941 22.452 12.627 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.604 22.026 12.157 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.425 22.513 10.915 1.00 0.00 H new ATOM 1046 N MET B1583 14.784 20.592 12.279 1.00 0.00 N ATOM 1047 CA MET B1583 13.348 20.397 12.077 1.00 0.00 C ATOM 1048 C MET B1583 12.795 21.249 10.930 1.00 0.00 C ATOM 1049 O MET B1583 13.142 22.424 10.791 1.00 0.00 O ATOM 1050 CB MET B1583 12.590 20.703 13.373 1.00 0.00 C ATOM 1051 CG MET B1583 11.084 20.744 13.208 1.00 0.00 C ATOM 1052 SD MET B1583 10.228 19.906 14.546 1.00 0.00 S ATOM 1053 CE MET B1583 10.818 18.243 14.268 1.00 0.00 C ATOM 0 H MET B1583 15.038 20.850 13.232 1.00 0.00 H new ATOM 0 HA MET B1583 13.200 19.353 11.801 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.844 19.949 14.118 1.00 0.00 H new ATOM 0 HB3 MET B1583 12.929 21.663 13.763 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.754 21.782 13.162 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.812 20.281 12.259 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.444 17.588 15.055 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.463 17.888 13.300 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.908 18.237 14.279 1.00 0.00 H new ATOM 1063 N PRO B1584 11.913 20.653 10.104 1.00 0.00 N ATOM 1064 CA PRO B1584 11.264 21.333 9.004 1.00 0.00 C ATOM 1065 C PRO B1584 9.998 22.006 9.485 1.00 0.00 C ATOM 1066 O PRO B1584 9.694 21.992 10.678 1.00 0.00 O ATOM 1067 CB PRO B1584 10.944 20.192 8.046 1.00 0.00 C ATOM 1068 CG PRO B1584 10.654 19.038 8.935 1.00 0.00 C ATOM 1069 CD PRO B1584 11.440 19.262 10.206 1.00 0.00 C ATOM 0 HA PRO B1584 11.870 22.116 8.549 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.089 20.431 7.413 1.00 0.00 H new ATOM 0 HB3 PRO B1584 11.783 19.982 7.383 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.587 18.971 9.146 1.00 0.00 H new ATOM 0 HG3 PRO B1584 10.945 18.101 8.460 1.00 0.00 H new ATOM 0 HD2 PRO B1584 10.817 19.118 11.089 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.273 18.564 10.286 1.00 0.00 H new ATOM 1077 N THR B1585 9.261 22.584 8.576 1.00 0.00 N ATOM 1078 CA THR B1585 8.040 23.253 8.942 1.00 0.00 C ATOM 1079 C THR B1585 6.853 22.478 8.419 1.00 0.00 C ATOM 1080 O THR B1585 6.873 21.971 7.298 1.00 0.00 O ATOM 1081 CB THR B1585 7.992 24.695 8.394 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.110 25.447 8.888 1.00 0.00 O ATOM 1083 CG2 THR B1585 6.698 25.399 8.784 1.00 0.00 C ATOM 0 H THR B1585 9.482 22.606 7.580 1.00 0.00 H new ATOM 0 HA THR B1585 8.004 23.302 10.030 1.00 0.00 H new ATOM 0 HB THR B1585 8.036 24.636 7.306 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.072 26.360 8.534 1.00 0.00 H new ATOM 0 HG21 THR B1585 6.699 26.412 8.381 1.00 0.00 H new ATOM 0 HG22 THR B1585 5.848 24.849 8.380 1.00 0.00 H new ATOM 0 HG23 THR B1585 6.620 25.441 9.870 1.00 0.00 H new ATOM 1091 N LYS B1586 5.847 22.351 9.256 1.00 0.00 N ATOM 1092 CA LYS B1586 4.570 21.838 8.828 1.00 0.00 C ATOM 1093 C LYS B1586 3.991 22.833 7.839 1.00 0.00 C ATOM 1094 O LYS B1586 3.377 23.825 8.231 1.00 0.00 O ATOM 1095 CB LYS B1586 3.648 21.682 10.024 1.00 0.00 C ATOM 1096 CG LYS B1586 2.337 20.999 9.708 1.00 0.00 C ATOM 1097 CD LYS B1586 1.274 21.437 10.690 1.00 0.00 C ATOM 1098 CE LYS B1586 1.672 21.117 12.123 1.00 0.00 C ATOM 1099 NZ LYS B1586 1.027 22.031 13.103 1.00 0.00 N ATOM 0 H LYS B1586 5.893 22.599 10.244 1.00 0.00 H new ATOM 0 HA LYS B1586 4.681 20.859 8.361 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.165 21.112 10.796 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.441 22.668 10.440 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.027 21.242 8.692 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.461 19.917 9.753 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.104 22.509 10.589 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.332 20.941 10.454 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.397 20.088 12.353 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.755 21.187 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 0.948 21.553 14.024 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 1.603 22.891 13.207 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 0.078 22.289 12.765 1.00 0.00 H new ATOM 1113 N SER B1587 4.204 22.561 6.565 1.00 0.00 N ATOM 1114 CA SER B1587 3.939 23.530 5.499 1.00 0.00 C ATOM 1115 C SER B1587 2.447 23.692 5.222 1.00 0.00 C ATOM 1116 O SER B1587 2.058 24.070 4.114 1.00 0.00 O ATOM 1117 CB SER B1587 4.651 23.091 4.219 1.00 0.00 C ATOM 1118 OG SER B1587 5.984 22.687 4.483 1.00 0.00 O ATOM 0 H SER B1587 4.565 21.667 6.233 1.00 0.00 H new ATOM 0 HA SER B1587 4.319 24.496 5.832 1.00 0.00 H new ATOM 0 HB2 SER B1587 4.104 22.268 3.760 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.653 23.912 3.502 1.00 0.00 H new ATOM 0 HG SER B1587 6.140 21.800 4.096 1.00 0.00 H new ATOM 1124 N SER B1588 1.634 23.416 6.238 1.00 0.00 N ATOM 1125 CA SER B1588 0.184 23.474 6.148 1.00 0.00 C ATOM 1126 C SER B1588 -0.359 22.475 5.130 1.00 0.00 C ATOM 1127 O SER B1588 0.232 22.234 4.077 1.00 0.00 O ATOM 1128 CB SER B1588 -0.282 24.892 5.805 1.00 0.00 C ATOM 1129 OG SER B1588 0.217 25.834 6.743 1.00 0.00 O ATOM 0 H SER B1588 1.973 23.142 7.160 1.00 0.00 H new ATOM 0 HA SER B1588 -0.214 23.201 7.126 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.056 25.157 4.803 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.371 24.928 5.793 1.00 0.00 H new ATOM 0 HG SER B1588 -0.093 26.732 6.501 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.476 21.865 5.463 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.159 21.001 4.527 1.00 0.00 C ATOM 1137 C ARG B1589 -3.053 21.852 3.647 1.00 0.00 C ATOM 1138 O ARG B1589 -4.109 22.290 4.079 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.952 19.924 5.277 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.748 19.000 4.373 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.605 17.545 4.796 1.00 0.00 C ATOM 1142 NE ARG B1589 -4.172 17.260 6.118 1.00 0.00 N ATOM 1143 CZ ARG B1589 -5.289 16.551 6.315 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.078 16.235 5.300 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -5.631 16.189 7.540 1.00 0.00 N ATOM 0 H ARG B1589 -1.929 21.951 6.373 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.438 20.482 3.895 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -2.261 19.327 5.872 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.635 20.410 5.974 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.800 19.285 4.396 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.409 19.116 3.344 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -4.093 16.911 4.056 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -2.548 17.278 4.798 1.00 0.00 H new ATOM 0 HE ARG B1589 -3.685 17.624 6.937 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.837 16.533 4.355 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.927 15.694 5.463 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -5.044 16.450 8.332 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -6.482 15.648 7.693 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.619 22.091 2.414 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.306 23.025 1.512 1.00 0.00 C ATOM 1161 C LYS B1590 -4.621 22.453 0.977 1.00 0.00 C ATOM 1162 O LYS B1590 -5.093 22.835 -0.096 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.399 23.446 0.342 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.166 22.573 0.139 1.00 0.00 C ATOM 1165 CD LYS B1590 0.004 23.048 0.989 1.00 0.00 C ATOM 1166 CE LYS B1590 1.223 22.156 0.814 1.00 0.00 C ATOM 1167 NZ LYS B1590 2.392 22.664 1.580 1.00 0.00 N ATOM 0 H LYS B1590 -1.792 21.652 2.010 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.543 23.907 2.106 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.987 23.438 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.076 24.474 0.504 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -1.405 21.540 0.393 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.881 22.585 -0.913 1.00 0.00 H new ATOM 0 HD2 LYS B1590 0.260 24.072 0.717 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.290 23.061 2.039 1.00 0.00 H new ATOM 0 HE2 LYS B1590 0.984 21.145 1.143 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.480 22.095 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.993 21.865 1.867 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 2.942 23.314 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 2.060 23.169 2.426 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.204 21.540 1.733 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.522 21.015 1.438 1.00 0.00 C ATOM 1183 C ALA B1591 -7.405 21.137 2.675 1.00 0.00 C ATOM 1184 O ALA B1591 -8.542 20.667 2.696 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.429 19.572 0.975 1.00 0.00 C ATOM 0 H ALA B1591 -4.775 21.142 2.569 1.00 0.00 H new ATOM 0 HA ALA B1591 -6.968 21.594 0.629 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.428 19.194 0.758 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.817 19.517 0.075 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.975 18.967 1.760 1.00 0.00 H new