USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=16 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+ 180:sc= 1.01 (180deg=1.01) USER MOD Single : A1074 THR OG1 : rot 133:sc= 1.4 USER MOD Single : A1076 TYR OH : rot -41:sc= -1.9! USER MOD Single : A1078 CYS SG : rot -49:sc= -2.34! USER MOD Single : A1079 GLN : amide:sc= -0.302 K(o=-0.3,f=-0.89) USER MOD Single : A1082 ASN : amide:sc= 0.329 K(o=0.33,f=-3.8!) USER MOD Single : A1087 THR OG1 : rot 43:sc= 1.34 USER MOD Single : A1097 THR OG1 : rot 180:sc= -2.71! USER MOD Single : A1102 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A1108 HIS : no HD1:sc= -0.237 X(o=-0.24,f=0.028) USER MOD Single : A1112 GLN : amide:sc= -2 K(o=-2,f=-13!) USER MOD Single : A1116 LYS NZ :NH3+ 172:sc= -0.0088 (180deg=-0.121) USER MOD Single : A1122 SER OG : rot -126:sc= 1.41 USER MOD Single : A1125 HIS : no HD1:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A1128 SER OG : rot 180:sc= 0 USER MOD Single : B1578 CYS SG : rot 180:sc= 0 USER MOD Single : B1581 SER OG : rot -136:sc= 0.313 USER MOD Single : B1583 MET CE :methyl 177:sc= -0.882 (180deg=-0.902) USER MOD Single : B1585 THR OG1 : rot 180:sc= 0 USER MOD Single : B1586 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.17) USER MOD Single : B1587 SER OG : rot 145:sc= 1.27 USER MOD Single : B1588 SER OG : rot 180:sc= 0 USER MOD Single : B1590 LYS NZ :NH3+ -153:sc= 0.339 (180deg=0.137) USER MOD ----------------------------------------------------------------- ATOM 19 N ARG A1070 4.461 0.759 -0.675 1.00 0.00 N ATOM 20 CA ARG A1070 4.949 2.108 -0.441 1.00 0.00 C ATOM 21 C ARG A1070 4.851 2.472 1.037 1.00 0.00 C ATOM 22 O ARG A1070 3.757 2.603 1.593 1.00 0.00 O ATOM 23 CB ARG A1070 4.180 3.121 -1.296 1.00 0.00 C ATOM 24 CG ARG A1070 4.676 4.551 -1.128 1.00 0.00 C ATOM 25 CD ARG A1070 4.098 5.479 -2.186 1.00 0.00 C ATOM 26 NE ARG A1070 2.635 5.529 -2.154 1.00 0.00 N ATOM 27 CZ ARG A1070 1.913 6.515 -2.688 1.00 0.00 C ATOM 28 NH1 ARG A1070 2.511 7.534 -3.295 1.00 0.00 N ATOM 29 NH2 ARG A1070 0.587 6.471 -2.628 1.00 0.00 N ATOM 0 HA ARG A1070 5.999 2.141 -0.732 1.00 0.00 H new ATOM 0 HB2 ARG A1070 4.261 2.836 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A1070 3.123 3.078 -1.035 1.00 0.00 H new ATOM 0 HG2 ARG A1070 4.404 4.916 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A1070 5.764 4.567 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A1070 4.495 6.483 -2.039 1.00 0.00 H new ATOM 0 HD3 ARG A1070 4.425 5.148 -3.172 1.00 0.00 H new ATOM 0 HE ARG A1070 2.139 4.764 -1.696 1.00 0.00 H new ATOM 0 HH11 ARG A1070 3.529 7.566 -3.355 1.00 0.00 H new ATOM 0 HH12 ARG A1070 1.952 8.285 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A1070 0.123 5.684 -2.174 1.00 0.00 H new ATOM 0 HH22 ARG A1070 0.033 7.224 -3.036 1.00 0.00 H new ATOM 43 N ARG A1071 6.004 2.616 1.666 1.00 0.00 N ATOM 44 CA ARG A1071 6.081 3.026 3.058 1.00 0.00 C ATOM 45 C ARG A1071 6.782 4.366 3.162 1.00 0.00 C ATOM 46 O ARG A1071 7.301 4.878 2.175 1.00 0.00 O ATOM 47 CB ARG A1071 6.842 1.988 3.890 1.00 0.00 C ATOM 48 CG ARG A1071 6.023 0.758 4.234 1.00 0.00 C ATOM 49 CD ARG A1071 6.842 -0.260 5.012 1.00 0.00 C ATOM 50 NE ARG A1071 7.896 -0.852 4.196 1.00 0.00 N ATOM 51 CZ ARG A1071 8.793 -1.729 4.645 1.00 0.00 C ATOM 52 NH1 ARG A1071 8.805 -2.096 5.920 1.00 0.00 N ATOM 53 NH2 ARG A1071 9.694 -2.230 3.816 1.00 0.00 N ATOM 0 H ARG A1071 6.911 2.453 1.228 1.00 0.00 H new ATOM 0 HA ARG A1071 5.066 3.111 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A1071 7.732 1.679 3.342 1.00 0.00 H new ATOM 0 HB3 ARG A1071 7.183 2.456 4.814 1.00 0.00 H new ATOM 0 HG2 ARG A1071 5.153 1.052 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A1071 5.649 0.301 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A1071 7.286 0.221 5.884 1.00 0.00 H new ATOM 0 HD3 ARG A1071 6.185 -1.047 5.382 1.00 0.00 H new ATOM 0 HE ARG A1071 7.950 -0.576 3.216 1.00 0.00 H new ATOM 0 HH11 ARG A1071 8.122 -1.706 6.569 1.00 0.00 H new ATOM 0 HH12 ARG A1071 9.497 -2.768 6.251 1.00 0.00 H new ATOM 0 HH21 ARG A1071 9.700 -1.945 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A1071 10.382 -2.902 4.156 1.00 0.00 H new ATOM 67 N VAL A1072 6.762 4.938 4.346 1.00 0.00 N ATOM 68 CA VAL A1072 7.545 6.124 4.645 1.00 0.00 C ATOM 69 C VAL A1072 8.111 6.005 6.048 1.00 0.00 C ATOM 70 O VAL A1072 7.461 5.466 6.944 1.00 0.00 O ATOM 71 CB VAL A1072 6.717 7.432 4.547 1.00 0.00 C ATOM 72 CG1 VAL A1072 6.317 7.735 3.111 1.00 0.00 C ATOM 73 CG2 VAL A1072 5.481 7.362 5.430 1.00 0.00 C ATOM 0 H VAL A1072 6.205 4.597 5.129 1.00 0.00 H new ATOM 0 HA VAL A1072 8.339 6.183 3.901 1.00 0.00 H new ATOM 0 HB VAL A1072 7.354 8.243 4.900 1.00 0.00 H new ATOM 0 HG11 VAL A1072 5.738 8.658 3.082 1.00 0.00 H new ATOM 0 HG12 VAL A1072 7.213 7.848 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A1072 5.713 6.916 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A1072 4.918 8.291 5.343 1.00 0.00 H new ATOM 0 HG22 VAL A1072 4.855 6.528 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A1072 5.783 7.217 6.467 1.00 0.00 H new ATOM 83 N LYS A1073 9.326 6.476 6.230 1.00 0.00 N ATOM 84 CA LYS A1073 9.935 6.479 7.551 1.00 0.00 C ATOM 85 C LYS A1073 10.025 7.908 8.045 1.00 0.00 C ATOM 86 O LYS A1073 10.467 8.799 7.313 1.00 0.00 O ATOM 87 CB LYS A1073 11.321 5.827 7.514 1.00 0.00 C ATOM 88 CG LYS A1073 11.736 5.156 8.820 1.00 0.00 C ATOM 89 CD LYS A1073 12.138 6.150 9.902 1.00 0.00 C ATOM 90 CE LYS A1073 13.466 6.820 9.587 1.00 0.00 C ATOM 91 NZ LYS A1073 13.906 7.718 10.685 1.00 0.00 N ATOM 0 H LYS A1073 9.911 6.860 5.488 1.00 0.00 H new ATOM 0 HA LYS A1073 9.319 5.896 8.236 1.00 0.00 H new ATOM 0 HB2 LYS A1073 11.339 5.084 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A1073 12.060 6.587 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A1073 10.911 4.545 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A1073 12.571 4.482 8.626 1.00 0.00 H new ATOM 0 HD2 LYS A1073 11.363 6.909 10.004 1.00 0.00 H new ATOM 0 HD3 LYS A1073 12.209 5.636 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A1073 14.226 6.058 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A1073 13.374 7.393 8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 14.815 8.156 10.432 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 13.193 8.461 10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 14.018 7.167 11.560 1.00 0.00 H new ATOM 105 N THR A1074 9.584 8.130 9.267 1.00 0.00 N ATOM 106 CA THR A1074 9.595 9.455 9.840 1.00 0.00 C ATOM 107 C THR A1074 11.016 9.858 10.195 1.00 0.00 C ATOM 108 O THR A1074 11.650 9.282 11.087 1.00 0.00 O ATOM 109 CB THR A1074 8.688 9.537 11.082 1.00 0.00 C ATOM 110 OG1 THR A1074 9.196 8.701 12.117 1.00 0.00 O ATOM 111 CG2 THR A1074 7.273 9.102 10.742 1.00 0.00 C ATOM 0 H THR A1074 9.213 7.405 9.882 1.00 0.00 H new ATOM 0 HA THR A1074 9.203 10.148 9.096 1.00 0.00 H new ATOM 0 HB THR A1074 8.672 10.573 11.421 1.00 0.00 H new ATOM 0 HG1 THR A1074 9.209 9.198 12.962 1.00 0.00 H new ATOM 0 HG21 THR A1074 6.648 9.167 11.633 1.00 0.00 H new ATOM 0 HG22 THR A1074 6.869 9.753 9.967 1.00 0.00 H new ATOM 0 HG23 THR A1074 7.285 8.073 10.382 1.00 0.00 H new ATOM 119 N ILE A1075 11.527 10.830 9.469 1.00 0.00 N ATOM 120 CA ILE A1075 12.878 11.303 9.682 1.00 0.00 C ATOM 121 C ILE A1075 12.855 12.483 10.627 1.00 0.00 C ATOM 122 O ILE A1075 13.893 12.985 11.063 1.00 0.00 O ATOM 123 CB ILE A1075 13.554 11.690 8.357 1.00 0.00 C ATOM 124 CG1 ILE A1075 12.655 12.601 7.526 1.00 0.00 C ATOM 125 CG2 ILE A1075 13.915 10.448 7.568 1.00 0.00 C ATOM 126 CD1 ILE A1075 13.281 13.023 6.214 1.00 0.00 C ATOM 0 H ILE A1075 11.024 11.310 8.723 1.00 0.00 H new ATOM 0 HA ILE A1075 13.461 10.494 10.122 1.00 0.00 H new ATOM 0 HB ILE A1075 14.467 12.238 8.592 1.00 0.00 H new ATOM 0 HG12 ILE A1075 11.715 12.087 7.324 1.00 0.00 H new ATOM 0 HG13 ILE A1075 12.413 13.490 8.108 1.00 0.00 H new ATOM 0 HG21 ILE A1075 14.393 10.738 6.632 1.00 0.00 H new ATOM 0 HG22 ILE A1075 14.601 9.833 8.151 1.00 0.00 H new ATOM 0 HG23 ILE A1075 13.011 9.878 7.353 1.00 0.00 H new ATOM 0 HD11 ILE A1075 12.590 13.669 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A1075 14.206 13.565 6.410 1.00 0.00 H new ATOM 0 HD13 ILE A1075 13.498 12.140 5.614 1.00 0.00 H new ATOM 138 N TYR A1076 11.641 12.903 10.929 1.00 0.00 N ATOM 139 CA TYR A1076 11.391 13.973 11.867 1.00 0.00 C ATOM 140 C TYR A1076 10.217 13.621 12.759 1.00 0.00 C ATOM 141 O TYR A1076 9.558 12.597 12.566 1.00 0.00 O ATOM 142 CB TYR A1076 11.064 15.265 11.124 1.00 0.00 C ATOM 143 CG TYR A1076 12.211 15.851 10.347 1.00 0.00 C ATOM 144 CD1 TYR A1076 13.136 16.659 10.976 1.00 0.00 C ATOM 145 CD2 TYR A1076 12.353 15.627 8.983 1.00 0.00 C ATOM 146 CE1 TYR A1076 14.178 17.230 10.275 1.00 0.00 C ATOM 147 CE2 TYR A1076 13.386 16.199 8.272 1.00 0.00 C ATOM 148 CZ TYR A1076 14.295 16.997 8.920 1.00 0.00 C ATOM 149 OH TYR A1076 15.319 17.577 8.208 1.00 0.00 O ATOM 0 H TYR A1076 10.794 12.505 10.524 1.00 0.00 H new ATOM 0 HA TYR A1076 12.289 14.112 12.470 1.00 0.00 H new ATOM 0 HB2 TYR A1076 10.238 15.075 10.439 1.00 0.00 H new ATOM 0 HB3 TYR A1076 10.716 16.005 11.845 1.00 0.00 H new ATOM 0 HD1 TYR A1076 13.043 16.848 12.035 1.00 0.00 H new ATOM 0 HD2 TYR A1076 11.642 14.994 8.472 1.00 0.00 H new ATOM 0 HE1 TYR A1076 14.897 17.855 10.783 1.00 0.00 H new ATOM 0 HE2 TYR A1076 13.479 16.020 7.211 1.00 0.00 H new ATOM 0 HH TYR A1076 15.439 18.504 8.503 1.00 0.00 H new ATOM 159 N ASP A1077 9.973 14.474 13.736 1.00 0.00 N ATOM 160 CA ASP A1077 8.794 14.363 14.573 1.00 0.00 C ATOM 161 C ASP A1077 7.817 15.466 14.205 1.00 0.00 C ATOM 162 O ASP A1077 8.193 16.633 14.102 1.00 0.00 O ATOM 163 CB ASP A1077 9.161 14.431 16.066 1.00 0.00 C ATOM 164 CG ASP A1077 9.800 15.746 16.478 1.00 0.00 C ATOM 165 OD1 ASP A1077 11.015 15.920 16.245 1.00 0.00 O ATOM 166 OD2 ASP A1077 9.096 16.606 17.052 1.00 0.00 O ATOM 0 H ASP A1077 10.582 15.258 13.971 1.00 0.00 H new ATOM 0 HA ASP A1077 8.327 13.393 14.401 1.00 0.00 H new ATOM 0 HB2 ASP A1077 8.261 14.273 16.660 1.00 0.00 H new ATOM 0 HB3 ASP A1077 9.845 13.615 16.300 1.00 0.00 H new ATOM 171 N CYS A1078 6.577 15.096 13.968 1.00 0.00 N ATOM 172 CA CYS A1078 5.568 16.059 13.570 1.00 0.00 C ATOM 173 C CYS A1078 4.266 15.776 14.266 1.00 0.00 C ATOM 174 O CYS A1078 3.865 14.621 14.419 1.00 0.00 O ATOM 175 CB CYS A1078 5.330 16.034 12.066 1.00 0.00 C ATOM 176 SG CYS A1078 4.229 17.346 11.485 1.00 0.00 S ATOM 0 H CYS A1078 6.241 14.136 14.043 1.00 0.00 H new ATOM 0 HA CYS A1078 5.939 17.044 13.854 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.288 16.122 11.554 1.00 0.00 H new ATOM 0 HB3 CYS A1078 4.908 15.068 11.789 1.00 0.00 H new ATOM 0 HG CYS A1078 3.160 17.375 12.224 1.00 0.00 H new ATOM 182 N GLN A1079 3.602 16.827 14.676 1.00 0.00 N ATOM 183 CA GLN A1079 2.321 16.673 15.323 1.00 0.00 C ATOM 184 C GLN A1079 1.190 17.136 14.425 1.00 0.00 C ATOM 185 O GLN A1079 1.412 17.626 13.315 1.00 0.00 O ATOM 186 CB GLN A1079 2.247 17.421 16.652 1.00 0.00 C ATOM 187 CG GLN A1079 3.043 16.801 17.792 1.00 0.00 C ATOM 188 CD GLN A1079 4.544 16.941 17.632 1.00 0.00 C ATOM 189 OE1 GLN A1079 5.219 16.048 17.121 1.00 0.00 O ATOM 190 NE2 GLN A1079 5.077 18.071 18.059 1.00 0.00 N ATOM 0 H GLN A1079 3.922 17.790 14.575 1.00 0.00 H new ATOM 0 HA GLN A1079 2.211 15.607 15.524 1.00 0.00 H new ATOM 0 HB2 GLN A1079 2.600 18.440 16.497 1.00 0.00 H new ATOM 0 HB3 GLN A1079 1.202 17.488 16.955 1.00 0.00 H new ATOM 0 HG2 GLN A1079 2.741 17.267 18.730 1.00 0.00 H new ATOM 0 HG3 GLN A1079 2.791 15.743 17.866 1.00 0.00 H new ATOM 0 HE21 GLN A1079 4.485 18.788 18.477 1.00 0.00 H new ATOM 0 HE22 GLN A1079 6.081 18.227 17.970 1.00 0.00 H new ATOM 199 N ALA A1080 -0.012 16.939 14.933 1.00 0.00 N ATOM 200 CA ALA A1080 -1.255 17.321 14.275 1.00 0.00 C ATOM 201 C ALA A1080 -1.241 18.717 13.645 1.00 0.00 C ATOM 202 O ALA A1080 -0.662 19.665 14.184 1.00 0.00 O ATOM 203 CB ALA A1080 -2.392 17.244 15.280 1.00 0.00 C ATOM 0 H ALA A1080 -0.159 16.497 15.840 1.00 0.00 H new ATOM 0 HA ALA A1080 -1.388 16.619 13.452 1.00 0.00 H new ATOM 0 HB1 ALA A1080 -3.326 17.528 14.795 1.00 0.00 H new ATOM 0 HB2 ALA A1080 -2.475 16.225 15.658 1.00 0.00 H new ATOM 0 HB3 ALA A1080 -2.192 17.923 16.109 1.00 0.00 H new ATOM 209 N ASP A1081 -1.897 18.820 12.493 1.00 0.00 N ATOM 210 CA ASP A1081 -2.163 20.109 11.857 1.00 0.00 C ATOM 211 C ASP A1081 -3.655 20.418 11.940 1.00 0.00 C ATOM 212 O ASP A1081 -4.078 21.565 11.804 1.00 0.00 O ATOM 213 CB ASP A1081 -1.718 20.098 10.386 1.00 0.00 C ATOM 214 CG ASP A1081 -1.833 21.463 9.717 1.00 0.00 C ATOM 215 OD1 ASP A1081 -1.563 22.480 10.387 1.00 0.00 O ATOM 216 OD2 ASP A1081 -2.187 21.527 8.516 1.00 0.00 O ATOM 0 H ASP A1081 -2.258 18.018 11.976 1.00 0.00 H new ATOM 0 HA ASP A1081 -1.596 20.878 12.381 1.00 0.00 H new ATOM 0 HB2 ASP A1081 -0.684 19.757 10.328 1.00 0.00 H new ATOM 0 HB3 ASP A1081 -2.323 19.378 9.835 1.00 0.00 H new ATOM 221 N ASN A1082 -4.449 19.376 12.169 1.00 0.00 N ATOM 222 CA ASN A1082 -5.898 19.513 12.261 1.00 0.00 C ATOM 223 C ASN A1082 -6.474 18.316 13.011 1.00 0.00 C ATOM 224 O ASN A1082 -5.731 17.578 13.654 1.00 0.00 O ATOM 225 CB ASN A1082 -6.528 19.635 10.870 1.00 0.00 C ATOM 226 CG ASN A1082 -7.849 20.389 10.900 1.00 0.00 C ATOM 227 OD1 ASN A1082 -8.919 19.797 11.052 1.00 0.00 O ATOM 228 ND2 ASN A1082 -7.780 21.705 10.775 1.00 0.00 N ATOM 0 H ASN A1082 -4.110 18.422 12.295 1.00 0.00 H new ATOM 0 HA ASN A1082 -6.132 20.426 12.809 1.00 0.00 H new ATOM 0 HB2 ASN A1082 -5.835 20.147 10.203 1.00 0.00 H new ATOM 0 HB3 ASN A1082 -6.690 18.639 10.458 1.00 0.00 H new ATOM 0 HD21 ASN A1082 -8.632 22.265 10.803 1.00 0.00 H new ATOM 0 HD22 ASN A1082 -6.875 22.159 10.651 1.00 0.00 H new ATOM 235 N ASP A1083 -7.786 18.137 12.957 1.00 0.00 N ATOM 236 CA ASP A1083 -8.441 17.050 13.678 1.00 0.00 C ATOM 237 C ASP A1083 -8.094 15.687 13.076 1.00 0.00 C ATOM 238 O ASP A1083 -7.863 14.715 13.800 1.00 0.00 O ATOM 239 CB ASP A1083 -9.956 17.252 13.655 1.00 0.00 C ATOM 240 CG ASP A1083 -10.687 16.253 14.525 1.00 0.00 C ATOM 241 OD1 ASP A1083 -11.060 15.170 14.023 1.00 0.00 O ATOM 242 OD2 ASP A1083 -10.908 16.556 15.717 1.00 0.00 O ATOM 0 H ASP A1083 -8.420 18.730 12.422 1.00 0.00 H new ATOM 0 HA ASP A1083 -8.081 17.066 14.707 1.00 0.00 H new ATOM 0 HB2 ASP A1083 -10.190 18.262 13.992 1.00 0.00 H new ATOM 0 HB3 ASP A1083 -10.315 17.167 12.629 1.00 0.00 H new ATOM 247 N ASP A1084 -8.033 15.631 11.755 1.00 0.00 N ATOM 248 CA ASP A1084 -7.836 14.377 11.036 1.00 0.00 C ATOM 249 C ASP A1084 -6.398 14.250 10.526 1.00 0.00 C ATOM 250 O ASP A1084 -6.112 14.449 9.348 1.00 0.00 O ATOM 251 CB ASP A1084 -8.835 14.276 9.871 1.00 0.00 C ATOM 252 CG ASP A1084 -8.715 15.418 8.869 1.00 0.00 C ATOM 253 OD1 ASP A1084 -8.223 16.507 9.246 1.00 0.00 O ATOM 254 OD2 ASP A1084 -9.111 15.228 7.700 1.00 0.00 O ATOM 0 H ASP A1084 -8.118 16.448 11.151 1.00 0.00 H new ATOM 0 HA ASP A1084 -8.015 13.554 11.728 1.00 0.00 H new ATOM 0 HB2 ASP A1084 -8.682 13.330 9.352 1.00 0.00 H new ATOM 0 HB3 ASP A1084 -9.848 14.259 10.272 1.00 0.00 H new ATOM 259 N GLU A1085 -5.488 13.914 11.418 1.00 0.00 N ATOM 260 CA GLU A1085 -4.086 13.803 11.052 1.00 0.00 C ATOM 261 C GLU A1085 -3.446 12.545 11.616 1.00 0.00 C ATOM 262 O GLU A1085 -4.117 11.685 12.194 1.00 0.00 O ATOM 263 CB GLU A1085 -3.326 15.027 11.549 1.00 0.00 C ATOM 264 CG GLU A1085 -3.742 15.471 12.937 1.00 0.00 C ATOM 265 CD GLU A1085 -3.573 14.397 13.998 1.00 0.00 C ATOM 266 OE1 GLU A1085 -2.421 14.087 14.366 1.00 0.00 O ATOM 267 OE2 GLU A1085 -4.597 13.856 14.465 1.00 0.00 O ATOM 0 H GLU A1085 -5.690 13.713 12.397 1.00 0.00 H new ATOM 0 HA GLU A1085 -4.034 13.744 9.965 1.00 0.00 H new ATOM 0 HB2 GLU A1085 -2.259 14.807 11.551 1.00 0.00 H new ATOM 0 HB3 GLU A1085 -3.481 15.850 10.851 1.00 0.00 H new ATOM 0 HG2 GLU A1085 -3.155 16.345 13.220 1.00 0.00 H new ATOM 0 HG3 GLU A1085 -4.786 15.783 12.911 1.00 0.00 H new ATOM 274 N LEU A1086 -2.143 12.447 11.426 1.00 0.00 N ATOM 275 CA LEU A1086 -1.352 11.403 12.036 1.00 0.00 C ATOM 276 C LEU A1086 -0.121 12.026 12.679 1.00 0.00 C ATOM 277 O LEU A1086 0.814 12.434 11.991 1.00 0.00 O ATOM 278 CB LEU A1086 -0.953 10.362 10.985 1.00 0.00 C ATOM 279 CG LEU A1086 -0.251 9.115 11.525 1.00 0.00 C ATOM 280 CD1 LEU A1086 -0.780 7.877 10.836 1.00 0.00 C ATOM 281 CD2 LEU A1086 1.242 9.203 11.313 1.00 0.00 C ATOM 0 H LEU A1086 -1.607 13.090 10.844 1.00 0.00 H new ATOM 0 HA LEU A1086 -1.936 10.896 12.804 1.00 0.00 H new ATOM 0 HB2 LEU A1086 -1.850 10.050 10.450 1.00 0.00 H new ATOM 0 HB3 LEU A1086 -0.298 10.840 10.257 1.00 0.00 H new ATOM 0 HG LEU A1086 -0.453 9.053 12.594 1.00 0.00 H new ATOM 0 HD11 LEU A1086 -0.272 6.996 11.229 1.00 0.00 H new ATOM 0 HD12 LEU A1086 -1.851 7.789 11.017 1.00 0.00 H new ATOM 0 HD13 LEU A1086 -0.598 7.952 9.764 1.00 0.00 H new ATOM 0 HD21 LEU A1086 1.719 8.305 11.705 1.00 0.00 H new ATOM 0 HD22 LEU A1086 1.454 9.290 10.247 1.00 0.00 H new ATOM 0 HD23 LEU A1086 1.632 10.078 11.833 1.00 0.00 H new ATOM 293 N THR A1087 -0.143 12.119 13.997 1.00 0.00 N ATOM 294 CA THR A1087 0.977 12.653 14.745 1.00 0.00 C ATOM 295 C THR A1087 2.051 11.587 14.898 1.00 0.00 C ATOM 296 O THR A1087 1.748 10.438 15.231 1.00 0.00 O ATOM 297 CB THR A1087 0.520 13.162 16.131 1.00 0.00 C ATOM 298 OG1 THR A1087 -0.317 14.316 15.980 1.00 0.00 O ATOM 299 CG2 THR A1087 1.704 13.498 17.025 1.00 0.00 C ATOM 0 H THR A1087 -0.933 11.828 14.574 1.00 0.00 H new ATOM 0 HA THR A1087 1.391 13.498 14.196 1.00 0.00 H new ATOM 0 HB THR A1087 -0.044 12.360 16.608 1.00 0.00 H new ATOM 0 HG1 THR A1087 -0.943 14.172 15.239 1.00 0.00 H new ATOM 0 HG21 THR A1087 1.342 13.852 17.990 1.00 0.00 H new ATOM 0 HG22 THR A1087 2.314 12.607 17.171 1.00 0.00 H new ATOM 0 HG23 THR A1087 2.305 14.276 16.555 1.00 0.00 H new ATOM 307 N PHE A1088 3.299 11.960 14.653 1.00 0.00 N ATOM 308 CA PHE A1088 4.381 10.980 14.650 1.00 0.00 C ATOM 309 C PHE A1088 5.680 11.567 15.173 1.00 0.00 C ATOM 310 O PHE A1088 5.840 12.781 15.270 1.00 0.00 O ATOM 311 CB PHE A1088 4.589 10.393 13.239 1.00 0.00 C ATOM 312 CG PHE A1088 4.977 11.388 12.168 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.218 12.003 12.184 1.00 0.00 C ATOM 314 CD2 PHE A1088 4.104 11.692 11.133 1.00 0.00 C ATOM 315 CE1 PHE A1088 6.581 12.897 11.198 1.00 0.00 C ATOM 316 CE2 PHE A1088 4.464 12.587 10.144 1.00 0.00 C ATOM 317 CZ PHE A1088 5.702 13.188 10.177 1.00 0.00 C ATOM 0 H PHE A1088 3.587 12.918 14.456 1.00 0.00 H new ATOM 0 HA PHE A1088 4.085 10.176 15.324 1.00 0.00 H new ATOM 0 HB2 PHE A1088 5.362 9.626 13.294 1.00 0.00 H new ATOM 0 HB3 PHE A1088 3.668 9.897 12.932 1.00 0.00 H new ATOM 0 HD1 PHE A1088 6.912 11.779 12.981 1.00 0.00 H new ATOM 0 HD2 PHE A1088 3.132 11.223 11.100 1.00 0.00 H new ATOM 0 HE1 PHE A1088 7.552 13.368 11.226 1.00 0.00 H new ATOM 0 HE2 PHE A1088 3.774 12.815 9.345 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.984 13.887 9.404 1.00 0.00 H new ATOM 327 N ILE A1089 6.603 10.685 15.511 1.00 0.00 N ATOM 328 CA ILE A1089 7.923 11.084 15.950 1.00 0.00 C ATOM 329 C ILE A1089 8.982 10.331 15.167 1.00 0.00 C ATOM 330 O ILE A1089 8.681 9.311 14.548 1.00 0.00 O ATOM 331 CB ILE A1089 8.120 10.872 17.473 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.423 9.595 17.957 1.00 0.00 C ATOM 333 CG2 ILE A1089 7.602 12.075 18.244 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.066 8.316 17.479 1.00 0.00 C ATOM 0 H ILE A1089 6.457 9.676 15.488 1.00 0.00 H new ATOM 0 HA ILE A1089 8.025 12.152 15.758 1.00 0.00 H new ATOM 0 HB ILE A1089 9.189 10.762 17.658 1.00 0.00 H new ATOM 0 HG12 ILE A1089 7.407 9.595 19.047 1.00 0.00 H new ATOM 0 HG13 ILE A1089 6.385 9.613 17.623 1.00 0.00 H new ATOM 0 HG21 ILE A1089 7.747 11.912 19.312 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.147 12.967 17.936 1.00 0.00 H new ATOM 0 HG23 ILE A1089 6.540 12.209 18.038 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.510 7.462 17.867 1.00 0.00 H new ATOM 0 HD12 ILE A1089 8.058 8.290 16.389 1.00 0.00 H new ATOM 0 HD13 ILE A1089 9.095 8.271 17.835 1.00 0.00 H new ATOM 346 N GLU A1090 10.205 10.844 15.184 1.00 0.00 N ATOM 347 CA GLU A1090 11.308 10.244 14.443 1.00 0.00 C ATOM 348 C GLU A1090 11.477 8.774 14.828 1.00 0.00 C ATOM 349 O GLU A1090 11.627 8.442 16.008 1.00 0.00 O ATOM 350 CB GLU A1090 12.602 11.024 14.705 1.00 0.00 C ATOM 351 CG GLU A1090 13.746 10.669 13.766 1.00 0.00 C ATOM 352 CD GLU A1090 14.419 9.352 14.101 1.00 0.00 C ATOM 353 OE1 GLU A1090 15.084 9.264 15.153 1.00 0.00 O ATOM 354 OE2 GLU A1090 14.311 8.403 13.301 1.00 0.00 O ATOM 0 H GLU A1090 10.460 11.681 15.707 1.00 0.00 H new ATOM 0 HA GLU A1090 11.082 10.291 13.378 1.00 0.00 H new ATOM 0 HB2 GLU A1090 12.394 12.090 14.619 1.00 0.00 H new ATOM 0 HB3 GLU A1090 12.920 10.843 15.732 1.00 0.00 H new ATOM 0 HG2 GLU A1090 13.367 10.624 12.745 1.00 0.00 H new ATOM 0 HG3 GLU A1090 14.490 11.465 13.795 1.00 0.00 H new ATOM 361 N GLY A1091 11.433 7.901 13.830 1.00 0.00 N ATOM 362 CA GLY A1091 11.623 6.483 14.067 1.00 0.00 C ATOM 363 C GLY A1091 10.392 5.675 13.719 1.00 0.00 C ATOM 364 O GLY A1091 10.452 4.449 13.613 1.00 0.00 O ATOM 0 H GLY A1091 11.268 8.152 12.855 1.00 0.00 H new ATOM 0 HA2 GLY A1091 12.468 6.128 13.477 1.00 0.00 H new ATOM 0 HA3 GLY A1091 11.877 6.322 15.115 1.00 0.00 H new ATOM 368 N GLU A1092 9.278 6.366 13.536 1.00 0.00 N ATOM 369 CA GLU A1092 8.034 5.722 13.135 1.00 0.00 C ATOM 370 C GLU A1092 8.081 5.310 11.668 1.00 0.00 C ATOM 371 O GLU A1092 8.772 5.923 10.851 1.00 0.00 O ATOM 372 CB GLU A1092 6.838 6.648 13.366 1.00 0.00 C ATOM 373 CG GLU A1092 6.382 6.728 14.808 1.00 0.00 C ATOM 374 CD GLU A1092 6.014 5.384 15.400 1.00 0.00 C ATOM 375 OE1 GLU A1092 5.379 4.571 14.701 1.00 0.00 O ATOM 376 OE2 GLU A1092 6.332 5.150 16.585 1.00 0.00 O ATOM 0 H GLU A1092 9.208 7.376 13.659 1.00 0.00 H new ATOM 0 HA GLU A1092 7.916 4.830 13.750 1.00 0.00 H new ATOM 0 HB2 GLU A1092 7.097 7.650 13.023 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.005 6.306 12.752 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.175 7.175 15.407 1.00 0.00 H new ATOM 0 HG3 GLU A1092 5.520 7.393 14.872 1.00 0.00 H new ATOM 383 N VAL A1093 7.333 4.271 11.347 1.00 0.00 N ATOM 384 CA VAL A1093 7.255 3.762 9.984 1.00 0.00 C ATOM 385 C VAL A1093 5.799 3.663 9.560 1.00 0.00 C ATOM 386 O VAL A1093 4.992 3.035 10.241 1.00 0.00 O ATOM 387 CB VAL A1093 7.923 2.376 9.843 1.00 0.00 C ATOM 388 CG1 VAL A1093 7.841 1.882 8.407 1.00 0.00 C ATOM 389 CG2 VAL A1093 9.369 2.426 10.305 1.00 0.00 C ATOM 0 H VAL A1093 6.763 3.756 12.018 1.00 0.00 H new ATOM 0 HA VAL A1093 7.792 4.459 9.341 1.00 0.00 H new ATOM 0 HB VAL A1093 7.383 1.675 10.479 1.00 0.00 H new ATOM 0 HG11 VAL A1093 8.317 0.905 8.331 1.00 0.00 H new ATOM 0 HG12 VAL A1093 6.796 1.800 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A1093 8.351 2.587 7.750 1.00 0.00 H new ATOM 0 HG21 VAL A1093 9.820 1.439 10.197 1.00 0.00 H new ATOM 0 HG22 VAL A1093 9.920 3.145 9.699 1.00 0.00 H new ATOM 0 HG23 VAL A1093 9.406 2.729 11.351 1.00 0.00 H new ATOM 399 N ILE A1094 5.463 4.283 8.442 1.00 0.00 N ATOM 400 CA ILE A1094 4.070 4.399 8.037 1.00 0.00 C ATOM 401 C ILE A1094 3.803 3.721 6.693 1.00 0.00 C ATOM 402 O ILE A1094 4.585 3.845 5.751 1.00 0.00 O ATOM 403 CB ILE A1094 3.647 5.881 7.938 1.00 0.00 C ATOM 404 CG1 ILE A1094 4.144 6.669 9.156 1.00 0.00 C ATOM 405 CG2 ILE A1094 2.133 5.988 7.821 1.00 0.00 C ATOM 406 CD1 ILE A1094 3.904 8.160 9.054 1.00 0.00 C ATOM 0 H ILE A1094 6.130 4.712 7.801 1.00 0.00 H new ATOM 0 HA ILE A1094 3.483 3.895 8.805 1.00 0.00 H new ATOM 0 HB ILE A1094 4.100 6.310 7.045 1.00 0.00 H new ATOM 0 HG12 ILE A1094 3.648 6.290 10.050 1.00 0.00 H new ATOM 0 HG13 ILE A1094 5.212 6.489 9.283 1.00 0.00 H new ATOM 0 HG21 ILE A1094 1.847 7.037 7.752 1.00 0.00 H new ATOM 0 HG22 ILE A1094 1.799 5.461 6.927 1.00 0.00 H new ATOM 0 HG23 ILE A1094 1.668 5.542 8.700 1.00 0.00 H new ATOM 0 HD11 ILE A1094 4.281 8.651 9.951 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.423 8.553 8.179 1.00 0.00 H new ATOM 0 HD13 ILE A1094 2.835 8.351 8.958 1.00 0.00 H new ATOM 418 N ILE A1095 2.697 2.991 6.632 1.00 0.00 N ATOM 419 CA ILE A1095 2.186 2.437 5.386 1.00 0.00 C ATOM 420 C ILE A1095 1.340 3.494 4.690 1.00 0.00 C ATOM 421 O ILE A1095 0.317 3.918 5.232 1.00 0.00 O ATOM 422 CB ILE A1095 1.295 1.192 5.639 1.00 0.00 C ATOM 423 CG1 ILE A1095 2.080 0.077 6.342 1.00 0.00 C ATOM 424 CG2 ILE A1095 0.700 0.683 4.332 1.00 0.00 C ATOM 425 CD1 ILE A1095 3.048 -0.663 5.440 1.00 0.00 C ATOM 0 H ILE A1095 2.128 2.766 7.448 1.00 0.00 H new ATOM 0 HA ILE A1095 3.037 2.139 4.773 1.00 0.00 H new ATOM 0 HB ILE A1095 0.481 1.495 6.298 1.00 0.00 H new ATOM 0 HG12 ILE A1095 2.634 0.508 7.176 1.00 0.00 H new ATOM 0 HG13 ILE A1095 1.374 -0.639 6.764 1.00 0.00 H new ATOM 0 HG21 ILE A1095 0.079 -0.190 4.531 1.00 0.00 H new ATOM 0 HG22 ILE A1095 0.091 1.466 3.880 1.00 0.00 H new ATOM 0 HG23 ILE A1095 1.504 0.408 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A1095 3.563 -1.434 6.013 1.00 0.00 H new ATOM 0 HD12 ILE A1095 2.500 -1.126 4.620 1.00 0.00 H new ATOM 0 HD13 ILE A1095 3.779 0.038 5.038 1.00 0.00 H new ATOM 437 N VAL A1096 1.762 3.930 3.510 1.00 0.00 N ATOM 438 CA VAL A1096 1.016 4.942 2.777 1.00 0.00 C ATOM 439 C VAL A1096 -0.192 4.311 2.098 1.00 0.00 C ATOM 440 O VAL A1096 -0.050 3.537 1.151 1.00 0.00 O ATOM 441 CB VAL A1096 1.885 5.649 1.717 1.00 0.00 C ATOM 442 CG1 VAL A1096 1.121 6.802 1.083 1.00 0.00 C ATOM 443 CG2 VAL A1096 3.183 6.144 2.330 1.00 0.00 C ATOM 0 H VAL A1096 2.608 3.602 3.045 1.00 0.00 H new ATOM 0 HA VAL A1096 0.691 5.690 3.500 1.00 0.00 H new ATOM 0 HB VAL A1096 2.128 4.927 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.750 7.289 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A1096 0.219 6.421 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A1096 0.846 7.523 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A1096 3.781 6.640 1.565 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.961 6.849 3.131 1.00 0.00 H new ATOM 0 HG23 VAL A1096 3.740 5.299 2.735 1.00 0.00 H new ATOM 453 N THR A1097 -1.376 4.634 2.592 1.00 0.00 N ATOM 454 CA THR A1097 -2.600 4.062 2.066 1.00 0.00 C ATOM 455 C THR A1097 -3.298 5.026 1.117 1.00 0.00 C ATOM 456 O THR A1097 -4.174 4.631 0.344 1.00 0.00 O ATOM 457 CB THR A1097 -3.557 3.679 3.208 1.00 0.00 C ATOM 458 OG1 THR A1097 -3.650 4.755 4.148 1.00 0.00 O ATOM 459 CG2 THR A1097 -3.077 2.421 3.915 1.00 0.00 C ATOM 0 H THR A1097 -1.513 5.292 3.359 1.00 0.00 H new ATOM 0 HA THR A1097 -2.328 3.164 1.511 1.00 0.00 H new ATOM 0 HB THR A1097 -4.541 3.484 2.781 1.00 0.00 H new ATOM 0 HG1 THR A1097 -4.262 4.505 4.872 1.00 0.00 H new ATOM 0 HG21 THR A1097 -3.769 2.169 4.719 1.00 0.00 H new ATOM 0 HG22 THR A1097 -3.033 1.597 3.202 1.00 0.00 H new ATOM 0 HG23 THR A1097 -2.085 2.594 4.331 1.00 0.00 H new ATOM 467 N GLY A1098 -2.909 6.292 1.172 1.00 0.00 N ATOM 468 CA GLY A1098 -3.501 7.276 0.297 1.00 0.00 C ATOM 469 C GLY A1098 -2.739 8.583 0.281 1.00 0.00 C ATOM 470 O GLY A1098 -1.685 8.713 0.905 1.00 0.00 O ATOM 0 H GLY A1098 -2.196 6.652 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A1098 -3.546 6.875 -0.715 1.00 0.00 H new ATOM 0 HA3 GLY A1098 -4.528 7.464 0.611 1.00 0.00 H new ATOM 474 N GLU A1099 -3.288 9.548 -0.427 1.00 0.00 N ATOM 475 CA GLU A1099 -2.699 10.865 -0.564 1.00 0.00 C ATOM 476 C GLU A1099 -3.813 11.896 -0.589 1.00 0.00 C ATOM 477 O GLU A1099 -4.893 11.628 -1.115 1.00 0.00 O ATOM 478 CB GLU A1099 -1.886 10.944 -1.861 1.00 0.00 C ATOM 479 CG GLU A1099 -1.435 12.349 -2.227 1.00 0.00 C ATOM 480 CD GLU A1099 -1.022 12.463 -3.679 1.00 0.00 C ATOM 481 OE1 GLU A1099 0.154 12.198 -3.993 1.00 0.00 O ATOM 482 OE2 GLU A1099 -1.883 12.812 -4.515 1.00 0.00 O ATOM 0 H GLU A1099 -4.168 9.439 -0.931 1.00 0.00 H new ATOM 0 HA GLU A1099 -2.032 11.060 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A1099 -1.008 10.305 -1.766 1.00 0.00 H new ATOM 0 HB3 GLU A1099 -2.485 10.542 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A1099 -2.244 13.051 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A1099 -0.598 12.636 -1.590 1.00 0.00 H new ATOM 489 N GLU A1100 -3.566 13.057 -0.011 1.00 0.00 N ATOM 490 CA GLU A1100 -4.544 14.129 -0.049 1.00 0.00 C ATOM 491 C GLU A1100 -3.910 15.357 -0.677 1.00 0.00 C ATOM 492 O GLU A1100 -4.445 15.945 -1.615 1.00 0.00 O ATOM 493 CB GLU A1100 -5.055 14.457 1.350 1.00 0.00 C ATOM 494 CG GLU A1100 -6.234 15.413 1.350 1.00 0.00 C ATOM 495 CD GLU A1100 -6.549 15.932 2.731 1.00 0.00 C ATOM 496 OE1 GLU A1100 -5.892 16.900 3.153 1.00 0.00 O ATOM 497 OE2 GLU A1100 -7.445 15.373 3.400 1.00 0.00 O ATOM 0 H GLU A1100 -2.704 13.281 0.486 1.00 0.00 H new ATOM 0 HA GLU A1100 -5.397 13.807 -0.646 1.00 0.00 H new ATOM 0 HB2 GLU A1100 -5.346 13.533 1.849 1.00 0.00 H new ATOM 0 HB3 GLU A1100 -4.243 14.892 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A1100 -6.018 16.252 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A1100 -7.110 14.906 0.946 1.00 0.00 H new ATOM 504 N ASP A1101 -2.748 15.716 -0.165 1.00 0.00 N ATOM 505 CA ASP A1101 -1.978 16.816 -0.707 1.00 0.00 C ATOM 506 C ASP A1101 -0.655 16.276 -1.218 1.00 0.00 C ATOM 507 O ASP A1101 -0.310 15.129 -0.942 1.00 0.00 O ATOM 508 CB ASP A1101 -1.745 17.888 0.366 1.00 0.00 C ATOM 509 CG ASP A1101 -0.943 19.080 -0.124 1.00 0.00 C ATOM 510 OD1 ASP A1101 -1.537 19.991 -0.729 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.288 19.097 0.089 1.00 0.00 O ATOM 0 H ASP A1101 -2.314 15.255 0.635 1.00 0.00 H new ATOM 0 HA ASP A1101 -2.526 17.280 -1.527 1.00 0.00 H new ATOM 0 HB2 ASP A1101 -2.710 18.237 0.733 1.00 0.00 H new ATOM 0 HB3 ASP A1101 -1.227 17.436 1.212 1.00 0.00 H new ATOM 516 N GLN A1102 0.074 17.088 -1.947 1.00 0.00 N ATOM 517 CA GLN A1102 1.384 16.705 -2.441 1.00 0.00 C ATOM 518 C GLN A1102 2.298 16.371 -1.279 1.00 0.00 C ATOM 519 O GLN A1102 3.051 15.393 -1.315 1.00 0.00 O ATOM 520 CB GLN A1102 1.996 17.844 -3.261 1.00 0.00 C ATOM 521 CG GLN A1102 3.475 17.662 -3.549 1.00 0.00 C ATOM 522 CD GLN A1102 4.062 18.820 -4.326 1.00 0.00 C ATOM 523 OE1 GLN A1102 3.634 19.966 -4.184 1.00 0.00 O ATOM 524 NE2 GLN A1102 5.033 18.525 -5.172 1.00 0.00 N ATOM 0 H GLN A1102 -0.218 18.028 -2.215 1.00 0.00 H new ATOM 0 HA GLN A1102 1.272 15.827 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A1102 1.459 17.929 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A1102 1.852 18.783 -2.726 1.00 0.00 H new ATOM 0 HG2 GLN A1102 4.014 17.550 -2.608 1.00 0.00 H new ATOM 0 HG3 GLN A1102 3.621 16.740 -4.112 1.00 0.00 H new ATOM 0 HE21 GLN A1102 5.358 17.562 -5.259 1.00 0.00 H new ATOM 0 HE22 GLN A1102 5.457 19.260 -5.738 1.00 0.00 H new ATOM 533 N GLU A1103 2.199 17.176 -0.240 1.00 0.00 N ATOM 534 CA GLU A1103 3.092 17.068 0.883 1.00 0.00 C ATOM 535 C GLU A1103 2.347 16.562 2.117 1.00 0.00 C ATOM 536 O GLU A1103 2.835 16.658 3.242 1.00 0.00 O ATOM 537 CB GLU A1103 3.740 18.424 1.140 1.00 0.00 C ATOM 538 CG GLU A1103 4.996 18.320 1.966 1.00 0.00 C ATOM 539 CD GLU A1103 5.776 19.613 2.032 1.00 0.00 C ATOM 540 OE1 GLU A1103 6.487 19.934 1.056 1.00 0.00 O ATOM 541 OE2 GLU A1103 5.698 20.306 3.067 1.00 0.00 O ATOM 0 H GLU A1103 1.502 17.916 -0.156 1.00 0.00 H new ATOM 0 HA GLU A1103 3.874 16.343 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A1103 3.975 18.897 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A1103 3.027 19.072 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A1103 4.733 18.010 2.977 1.00 0.00 H new ATOM 0 HG3 GLU A1103 5.633 17.540 1.549 1.00 0.00 H new ATOM 548 N TRP A1104 1.167 16.010 1.895 1.00 0.00 N ATOM 549 CA TRP A1104 0.370 15.429 2.973 1.00 0.00 C ATOM 550 C TRP A1104 -0.302 14.143 2.508 1.00 0.00 C ATOM 551 O TRP A1104 -1.286 14.167 1.757 1.00 0.00 O ATOM 552 CB TRP A1104 -0.683 16.416 3.486 1.00 0.00 C ATOM 553 CG TRP A1104 -0.120 17.540 4.307 1.00 0.00 C ATOM 554 CD1 TRP A1104 0.419 18.702 3.840 1.00 0.00 C ATOM 555 CD2 TRP A1104 -0.045 17.614 5.738 1.00 0.00 C ATOM 556 NE1 TRP A1104 0.806 19.496 4.887 1.00 0.00 N ATOM 557 CE2 TRP A1104 0.543 18.851 6.058 1.00 0.00 C ATOM 558 CE3 TRP A1104 -0.421 16.761 6.784 1.00 0.00 C ATOM 559 CZ2 TRP A1104 0.766 19.258 7.366 1.00 0.00 C ATOM 560 CZ3 TRP A1104 -0.197 17.169 8.087 1.00 0.00 C ATOM 561 CH2 TRP A1104 0.394 18.411 8.365 1.00 0.00 C ATOM 0 H TRP A1104 0.733 15.949 0.974 1.00 0.00 H new ATOM 0 HA TRP A1104 1.047 15.199 3.796 1.00 0.00 H new ATOM 0 HB2 TRP A1104 -1.218 16.835 2.634 1.00 0.00 H new ATOM 0 HB3 TRP A1104 -1.413 15.873 4.085 1.00 0.00 H new ATOM 0 HD1 TRP A1104 0.525 18.959 2.796 1.00 0.00 H new ATOM 0 HE1 TRP A1104 1.224 20.422 4.803 1.00 0.00 H new ATOM 0 HE3 TRP A1104 -0.877 15.804 6.577 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 1.219 20.214 7.584 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 -0.482 16.521 8.903 1.00 0.00 H new ATOM 0 HH2 TRP A1104 0.557 18.701 9.392 1.00 0.00 H new ATOM 572 N TRP A1105 0.238 13.019 2.954 1.00 0.00 N ATOM 573 CA TRP A1105 -0.261 11.717 2.544 1.00 0.00 C ATOM 574 C TRP A1105 -1.009 11.051 3.684 1.00 0.00 C ATOM 575 O TRP A1105 -0.925 11.479 4.836 1.00 0.00 O ATOM 576 CB TRP A1105 0.889 10.824 2.061 1.00 0.00 C ATOM 577 CG TRP A1105 1.517 11.316 0.791 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.201 12.459 0.125 1.00 0.00 C ATOM 579 CD2 TRP A1105 2.561 10.692 0.040 1.00 0.00 C ATOM 580 NE1 TRP A1105 1.975 12.594 -0.993 1.00 0.00 N ATOM 581 CE2 TRP A1105 2.827 11.520 -1.071 1.00 0.00 C ATOM 582 CE3 TRP A1105 3.299 9.518 0.197 1.00 0.00 C ATOM 583 CZ2 TRP A1105 3.801 11.207 -2.013 1.00 0.00 C ATOM 584 CZ3 TRP A1105 4.262 9.210 -0.742 1.00 0.00 C ATOM 585 CH2 TRP A1105 4.509 10.052 -1.833 1.00 0.00 C ATOM 0 H TRP A1105 1.025 12.983 3.602 1.00 0.00 H new ATOM 0 HA TRP A1105 -0.954 11.861 1.715 1.00 0.00 H new ATOM 0 HB2 TRP A1105 1.650 10.768 2.839 1.00 0.00 H new ATOM 0 HB3 TRP A1105 0.516 9.811 1.907 1.00 0.00 H new ATOM 0 HD1 TRP A1105 0.443 13.163 0.437 1.00 0.00 H new ATOM 0 HE1 TRP A1105 1.928 13.365 -1.659 1.00 0.00 H new ATOM 0 HE3 TRP A1105 3.120 8.863 1.037 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 3.991 11.854 -2.857 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 4.836 8.302 -0.633 1.00 0.00 H new ATOM 0 HH2 TRP A1105 5.274 9.783 -2.546 1.00 0.00 H new ATOM 596 N ILE A1106 -1.733 10.000 3.356 1.00 0.00 N ATOM 597 CA ILE A1106 -2.588 9.325 4.314 1.00 0.00 C ATOM 598 C ILE A1106 -2.100 7.908 4.529 1.00 0.00 C ATOM 599 O ILE A1106 -1.719 7.229 3.573 1.00 0.00 O ATOM 600 CB ILE A1106 -4.044 9.279 3.815 1.00 0.00 C ATOM 601 CG1 ILE A1106 -4.523 10.684 3.452 1.00 0.00 C ATOM 602 CG2 ILE A1106 -4.954 8.660 4.872 1.00 0.00 C ATOM 603 CD1 ILE A1106 -5.818 10.688 2.681 1.00 0.00 C ATOM 0 H ILE A1106 -1.746 9.590 2.422 1.00 0.00 H new ATOM 0 HA ILE A1106 -2.550 9.881 5.251 1.00 0.00 H new ATOM 0 HB ILE A1106 -4.085 8.656 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A1106 -4.649 11.265 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A1106 -3.754 11.182 2.861 1.00 0.00 H new ATOM 0 HG21 ILE A1106 -5.979 8.636 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A1106 -4.622 7.644 5.088 1.00 0.00 H new ATOM 0 HG23 ILE A1106 -4.912 9.257 5.783 1.00 0.00 H new ATOM 0 HD11 ILE A1106 -6.103 11.715 2.454 1.00 0.00 H new ATOM 0 HD12 ILE A1106 -5.690 10.133 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A1106 -6.599 10.218 3.279 1.00 0.00 H new ATOM 615 N GLY A1107 -2.086 7.465 5.771 1.00 0.00 N ATOM 616 CA GLY A1107 -1.680 6.106 6.034 1.00 0.00 C ATOM 617 C GLY A1107 -1.788 5.717 7.486 1.00 0.00 C ATOM 618 O GLY A1107 -2.406 6.420 8.285 1.00 0.00 O ATOM 0 H GLY A1107 -2.344 8.012 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A1107 -2.294 5.430 5.438 1.00 0.00 H new ATOM 0 HA3 GLY A1107 -0.649 5.973 5.706 1.00 0.00 H new ATOM 622 N HIS A1108 -1.175 4.591 7.818 1.00 0.00 N ATOM 623 CA HIS A1108 -1.178 4.072 9.180 1.00 0.00 C ATOM 624 C HIS A1108 0.171 3.441 9.480 1.00 0.00 C ATOM 625 O HIS A1108 0.825 2.924 8.576 1.00 0.00 O ATOM 626 CB HIS A1108 -2.309 3.044 9.388 1.00 0.00 C ATOM 627 CG HIS A1108 -2.201 1.803 8.545 1.00 0.00 C ATOM 628 ND1 HIS A1108 -2.960 1.594 7.415 1.00 0.00 N ATOM 629 CD2 HIS A1108 -1.436 0.691 8.688 1.00 0.00 C ATOM 630 CE1 HIS A1108 -2.668 0.412 6.902 1.00 0.00 C ATOM 631 NE2 HIS A1108 -1.745 -0.159 7.654 1.00 0.00 N ATOM 0 H HIS A1108 -0.662 4.011 7.154 1.00 0.00 H new ATOM 0 HA HIS A1108 -1.357 4.900 9.867 1.00 0.00 H new ATOM 0 HB2 HIS A1108 -2.326 2.752 10.438 1.00 0.00 H new ATOM 0 HB3 HIS A1108 -3.263 3.527 9.176 1.00 0.00 H new ATOM 0 HD2 HIS A1108 -0.716 0.508 9.472 1.00 0.00 H new ATOM 0 HE1 HIS A1108 -3.111 -0.016 6.015 1.00 0.00 H new ATOM 0 HE2 HIS A1108 -1.331 -1.077 7.494 1.00 0.00 H new ATOM 640 N ILE A1109 0.582 3.486 10.738 1.00 0.00 N ATOM 641 CA ILE A1109 1.870 2.932 11.144 1.00 0.00 C ATOM 642 C ILE A1109 1.946 1.447 10.785 1.00 0.00 C ATOM 643 O ILE A1109 0.969 0.718 10.954 1.00 0.00 O ATOM 644 CB ILE A1109 2.112 3.124 12.658 1.00 0.00 C ATOM 645 CG1 ILE A1109 2.055 4.612 13.029 1.00 0.00 C ATOM 646 CG2 ILE A1109 3.442 2.516 13.078 1.00 0.00 C ATOM 647 CD1 ILE A1109 3.068 5.477 12.308 1.00 0.00 C ATOM 0 H ILE A1109 0.043 3.901 11.498 1.00 0.00 H new ATOM 0 HA ILE A1109 2.650 3.471 10.605 1.00 0.00 H new ATOM 0 HB ILE A1109 1.319 2.605 13.196 1.00 0.00 H new ATOM 0 HG12 ILE A1109 1.055 4.989 12.814 1.00 0.00 H new ATOM 0 HG13 ILE A1109 2.209 4.712 14.103 1.00 0.00 H new ATOM 0 HG21 ILE A1109 3.588 2.665 14.148 1.00 0.00 H new ATOM 0 HG22 ILE A1109 3.440 1.449 12.857 1.00 0.00 H new ATOM 0 HG23 ILE A1109 4.252 2.999 12.531 1.00 0.00 H new ATOM 0 HD11 ILE A1109 2.957 6.512 12.630 1.00 0.00 H new ATOM 0 HD12 ILE A1109 4.075 5.130 12.542 1.00 0.00 H new ATOM 0 HD13 ILE A1109 2.902 5.412 11.233 1.00 0.00 H new ATOM 659 N GLU A1110 3.105 1.023 10.280 1.00 0.00 N ATOM 660 CA GLU A1110 3.283 -0.316 9.718 1.00 0.00 C ATOM 661 C GLU A1110 2.730 -1.396 10.646 1.00 0.00 C ATOM 662 O GLU A1110 1.862 -2.177 10.256 1.00 0.00 O ATOM 663 CB GLU A1110 4.767 -0.576 9.445 1.00 0.00 C ATOM 664 CG GLU A1110 5.020 -1.659 8.412 1.00 0.00 C ATOM 665 CD GLU A1110 6.469 -2.083 8.359 1.00 0.00 C ATOM 666 OE1 GLU A1110 7.309 -1.276 7.920 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.774 -3.228 8.742 1.00 0.00 O ATOM 0 H GLU A1110 3.947 1.598 10.249 1.00 0.00 H new ATOM 0 HA GLU A1110 2.725 -0.360 8.783 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.232 0.350 9.108 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.255 -0.856 10.379 1.00 0.00 H new ATOM 0 HG2 GLU A1110 4.400 -2.526 8.640 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.715 -1.298 7.430 1.00 0.00 H new ATOM 674 N GLY A1111 3.219 -1.420 11.879 1.00 0.00 N ATOM 675 CA GLY A1111 2.759 -2.400 12.843 1.00 0.00 C ATOM 676 C GLY A1111 1.774 -1.814 13.836 1.00 0.00 C ATOM 677 O GLY A1111 1.641 -2.309 14.956 1.00 0.00 O ATOM 0 H GLY A1111 3.928 -0.776 12.229 1.00 0.00 H new ATOM 0 HA2 GLY A1111 2.290 -3.231 12.317 1.00 0.00 H new ATOM 0 HA3 GLY A1111 3.615 -2.806 13.381 1.00 0.00 H new ATOM 681 N GLN A1112 1.082 -0.756 13.426 1.00 0.00 N ATOM 682 CA GLN A1112 0.122 -0.083 14.291 1.00 0.00 C ATOM 683 C GLN A1112 -1.026 0.486 13.457 1.00 0.00 C ATOM 684 O GLN A1112 -1.047 1.676 13.129 1.00 0.00 O ATOM 685 CB GLN A1112 0.820 1.026 15.083 1.00 0.00 C ATOM 686 CG GLN A1112 0.591 0.955 16.585 1.00 0.00 C ATOM 687 CD GLN A1112 -0.783 1.442 17.008 1.00 0.00 C ATOM 688 OE1 GLN A1112 -1.753 1.335 16.262 1.00 0.00 O ATOM 689 NE2 GLN A1112 -0.872 1.983 18.212 1.00 0.00 N ATOM 0 H GLN A1112 1.169 -0.346 12.496 1.00 0.00 H new ATOM 0 HA GLN A1112 -0.291 -0.803 14.997 1.00 0.00 H new ATOM 0 HB2 GLN A1112 1.891 0.979 14.887 1.00 0.00 H new ATOM 0 HB3 GLN A1112 0.472 1.992 14.718 1.00 0.00 H new ATOM 0 HG2 GLN A1112 0.721 -0.075 16.917 1.00 0.00 H new ATOM 0 HG3 GLN A1112 1.351 1.551 17.090 1.00 0.00 H new ATOM 0 HE21 GLN A1112 -0.043 2.054 18.802 1.00 0.00 H new ATOM 0 HE22 GLN A1112 -1.770 2.329 18.550 1.00 0.00 H new ATOM 698 N PRO A1113 -2.001 -0.370 13.111 1.00 0.00 N ATOM 699 CA PRO A1113 -3.140 -0.001 12.261 1.00 0.00 C ATOM 700 C PRO A1113 -4.128 0.936 12.960 1.00 0.00 C ATOM 701 O PRO A1113 -5.065 1.439 12.341 1.00 0.00 O ATOM 702 CB PRO A1113 -3.818 -1.347 11.948 1.00 0.00 C ATOM 703 CG PRO A1113 -2.854 -2.397 12.394 1.00 0.00 C ATOM 704 CD PRO A1113 -2.068 -1.781 13.512 1.00 0.00 C ATOM 0 HA PRO A1113 -2.810 0.545 11.377 1.00 0.00 H new ATOM 0 HB2 PRO A1113 -4.768 -1.439 12.474 1.00 0.00 H new ATOM 0 HB3 PRO A1113 -4.033 -1.439 10.883 1.00 0.00 H new ATOM 0 HG2 PRO A1113 -3.378 -3.291 12.731 1.00 0.00 H new ATOM 0 HG3 PRO A1113 -2.200 -2.700 11.577 1.00 0.00 H new ATOM 0 HD2 PRO A1113 -2.564 -1.907 14.474 1.00 0.00 H new ATOM 0 HD3 PRO A1113 -1.077 -2.225 13.604 1.00 0.00 H new ATOM 712 N GLU A1114 -3.921 1.158 14.251 1.00 0.00 N ATOM 713 CA GLU A1114 -4.777 2.048 15.023 1.00 0.00 C ATOM 714 C GLU A1114 -4.265 3.485 14.915 1.00 0.00 C ATOM 715 O GLU A1114 -4.995 4.446 15.163 1.00 0.00 O ATOM 716 CB GLU A1114 -4.824 1.578 16.481 1.00 0.00 C ATOM 717 CG GLU A1114 -5.786 2.355 17.363 1.00 0.00 C ATOM 718 CD GLU A1114 -5.941 1.731 18.736 1.00 0.00 C ATOM 719 OE1 GLU A1114 -4.964 1.740 19.517 1.00 0.00 O ATOM 720 OE2 GLU A1114 -7.036 1.217 19.039 1.00 0.00 O ATOM 0 H GLU A1114 -3.165 0.732 14.787 1.00 0.00 H new ATOM 0 HA GLU A1114 -5.791 2.023 14.624 1.00 0.00 H new ATOM 0 HB2 GLU A1114 -5.103 0.524 16.501 1.00 0.00 H new ATOM 0 HB3 GLU A1114 -3.823 1.651 16.905 1.00 0.00 H new ATOM 0 HG2 GLU A1114 -5.430 3.380 17.470 1.00 0.00 H new ATOM 0 HG3 GLU A1114 -6.761 2.405 16.877 1.00 0.00 H new ATOM 727 N ARG A1115 -3.005 3.620 14.523 1.00 0.00 N ATOM 728 CA ARG A1115 -2.412 4.926 14.261 1.00 0.00 C ATOM 729 C ARG A1115 -2.549 5.274 12.786 1.00 0.00 C ATOM 730 O ARG A1115 -1.717 4.863 11.978 1.00 0.00 O ATOM 731 CB ARG A1115 -0.925 4.935 14.615 1.00 0.00 C ATOM 732 CG ARG A1115 -0.604 4.827 16.093 1.00 0.00 C ATOM 733 CD ARG A1115 0.902 4.726 16.287 1.00 0.00 C ATOM 734 NE ARG A1115 1.310 4.841 17.684 1.00 0.00 N ATOM 735 CZ ARG A1115 2.582 4.921 18.075 1.00 0.00 C ATOM 736 NH1 ARG A1115 3.562 4.799 17.186 1.00 0.00 N ATOM 737 NH2 ARG A1115 2.877 5.111 19.356 1.00 0.00 N ATOM 0 H ARG A1115 -2.370 2.835 14.378 1.00 0.00 H new ATOM 0 HA ARG A1115 -2.937 5.656 14.877 1.00 0.00 H new ATOM 0 HB2 ARG A1115 -0.441 4.109 14.095 1.00 0.00 H new ATOM 0 HB3 ARG A1115 -0.484 5.855 14.232 1.00 0.00 H new ATOM 0 HG2 ARG A1115 -0.991 5.697 16.623 1.00 0.00 H new ATOM 0 HG3 ARG A1115 -1.094 3.951 16.518 1.00 0.00 H new ATOM 0 HD2 ARG A1115 1.250 3.772 15.891 1.00 0.00 H new ATOM 0 HD3 ARG A1115 1.390 5.509 15.707 1.00 0.00 H new ATOM 0 HE ARG A1115 0.583 4.861 18.399 1.00 0.00 H new ATOM 0 HH11 ARG A1115 3.342 4.644 16.202 1.00 0.00 H new ATOM 0 HH12 ARG A1115 4.535 4.861 17.487 1.00 0.00 H new ATOM 0 HH21 ARG A1115 2.129 5.196 20.044 1.00 0.00 H new ATOM 0 HH22 ARG A1115 3.851 5.172 19.651 1.00 0.00 H new ATOM 751 N LYS A1116 -3.588 6.018 12.430 1.00 0.00 N ATOM 752 CA LYS A1116 -3.807 6.389 11.031 1.00 0.00 C ATOM 753 C LYS A1116 -4.331 7.811 10.892 1.00 0.00 C ATOM 754 O LYS A1116 -5.106 8.288 11.722 1.00 0.00 O ATOM 755 CB LYS A1116 -4.777 5.426 10.323 1.00 0.00 C ATOM 756 CG LYS A1116 -5.446 4.386 11.215 1.00 0.00 C ATOM 757 CD LYS A1116 -6.451 5.006 12.173 1.00 0.00 C ATOM 758 CE LYS A1116 -7.570 5.736 11.439 1.00 0.00 C ATOM 759 NZ LYS A1116 -8.328 4.836 10.529 1.00 0.00 N ATOM 0 H LYS A1116 -4.288 6.375 13.080 1.00 0.00 H new ATOM 0 HA LYS A1116 -2.830 6.323 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A1116 -5.555 6.015 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A1116 -4.233 4.906 9.535 1.00 0.00 H new ATOM 0 HG2 LYS A1116 -5.950 3.647 10.592 1.00 0.00 H new ATOM 0 HG3 LYS A1116 -4.683 3.856 11.785 1.00 0.00 H new ATOM 0 HD2 LYS A1116 -6.880 4.226 12.802 1.00 0.00 H new ATOM 0 HD3 LYS A1116 -5.937 5.703 12.835 1.00 0.00 H new ATOM 0 HE2 LYS A1116 -8.254 6.174 12.166 1.00 0.00 H new ATOM 0 HE3 LYS A1116 -7.147 6.559 10.863 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 -9.159 5.339 10.156 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 -7.716 4.545 9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 -8.640 3.994 11.054 1.00 0.00 H new ATOM 773 N GLY A1117 -3.912 8.470 9.822 1.00 0.00 N ATOM 774 CA GLY A1117 -4.321 9.832 9.558 1.00 0.00 C ATOM 775 C GLY A1117 -3.500 10.452 8.448 1.00 0.00 C ATOM 776 O GLY A1117 -2.858 9.736 7.676 1.00 0.00 O ATOM 0 H GLY A1117 -3.285 8.076 9.121 1.00 0.00 H new ATOM 0 HA2 GLY A1117 -5.376 9.850 9.285 1.00 0.00 H new ATOM 0 HA3 GLY A1117 -4.216 10.427 10.465 1.00 0.00 H new ATOM 780 N VAL A1118 -3.518 11.774 8.363 1.00 0.00 N ATOM 781 CA VAL A1118 -2.753 12.480 7.347 1.00 0.00 C ATOM 782 C VAL A1118 -1.451 13.011 7.939 1.00 0.00 C ATOM 783 O VAL A1118 -1.458 13.668 8.980 1.00 0.00 O ATOM 784 CB VAL A1118 -3.549 13.659 6.753 1.00 0.00 C ATOM 785 CG1 VAL A1118 -2.979 14.059 5.402 1.00 0.00 C ATOM 786 CG2 VAL A1118 -5.027 13.321 6.647 1.00 0.00 C ATOM 0 H VAL A1118 -4.054 12.379 8.985 1.00 0.00 H new ATOM 0 HA VAL A1118 -2.539 11.767 6.551 1.00 0.00 H new ATOM 0 HB VAL A1118 -3.454 14.510 7.427 1.00 0.00 H new ATOM 0 HG11 VAL A1118 -3.553 14.893 4.997 1.00 0.00 H new ATOM 0 HG12 VAL A1118 -1.938 14.359 5.521 1.00 0.00 H new ATOM 0 HG13 VAL A1118 -3.037 13.213 4.718 1.00 0.00 H new ATOM 0 HG21 VAL A1118 -5.565 14.170 6.225 1.00 0.00 H new ATOM 0 HG22 VAL A1118 -5.156 12.452 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A1118 -5.421 13.098 7.638 1.00 0.00 H new ATOM 796 N PHE A1119 -0.347 12.721 7.272 1.00 0.00 N ATOM 797 CA PHE A1119 0.970 13.122 7.753 1.00 0.00 C ATOM 798 C PHE A1119 1.729 13.904 6.682 1.00 0.00 C ATOM 799 O PHE A1119 1.565 13.654 5.486 1.00 0.00 O ATOM 800 CB PHE A1119 1.772 11.888 8.183 1.00 0.00 C ATOM 801 CG PHE A1119 1.756 10.757 7.187 1.00 0.00 C ATOM 802 CD1 PHE A1119 2.694 10.688 6.169 1.00 0.00 C ATOM 803 CD2 PHE A1119 0.801 9.759 7.280 1.00 0.00 C ATOM 804 CE1 PHE A1119 2.677 9.643 5.262 1.00 0.00 C ATOM 805 CE2 PHE A1119 0.779 8.717 6.379 1.00 0.00 C ATOM 806 CZ PHE A1119 1.716 8.655 5.368 1.00 0.00 C ATOM 0 H PHE A1119 -0.334 12.207 6.391 1.00 0.00 H new ATOM 0 HA PHE A1119 0.836 13.775 8.615 1.00 0.00 H new ATOM 0 HB2 PHE A1119 2.806 12.185 8.360 1.00 0.00 H new ATOM 0 HB3 PHE A1119 1.377 11.526 9.132 1.00 0.00 H new ATOM 0 HD1 PHE A1119 3.446 11.458 6.083 1.00 0.00 H new ATOM 0 HD2 PHE A1119 0.064 9.798 8.069 1.00 0.00 H new ATOM 0 HE1 PHE A1119 3.413 9.599 4.473 1.00 0.00 H new ATOM 0 HE2 PHE A1119 0.027 7.947 6.464 1.00 0.00 H new ATOM 0 HZ PHE A1119 1.699 7.838 4.662 1.00 0.00 H new ATOM 816 N PRO A1120 2.560 14.878 7.097 1.00 0.00 N ATOM 817 CA PRO A1120 3.328 15.701 6.170 1.00 0.00 C ATOM 818 C PRO A1120 4.560 14.982 5.643 1.00 0.00 C ATOM 819 O PRO A1120 5.381 14.474 6.410 1.00 0.00 O ATOM 820 CB PRO A1120 3.742 16.898 7.018 1.00 0.00 C ATOM 821 CG PRO A1120 3.833 16.363 8.401 1.00 0.00 C ATOM 822 CD PRO A1120 2.811 15.255 8.502 1.00 0.00 C ATOM 0 HA PRO A1120 2.748 15.964 5.286 1.00 0.00 H new ATOM 0 HB2 PRO A1120 4.697 17.307 6.687 1.00 0.00 H new ATOM 0 HB3 PRO A1120 3.010 17.703 6.952 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.835 15.986 8.606 1.00 0.00 H new ATOM 0 HG3 PRO A1120 3.631 17.145 9.133 1.00 0.00 H new ATOM 0 HD2 PRO A1120 3.190 14.413 9.081 1.00 0.00 H new ATOM 0 HD3 PRO A1120 1.900 15.595 8.994 1.00 0.00 H new ATOM 830 N VAL A1121 4.692 14.972 4.326 1.00 0.00 N ATOM 831 CA VAL A1121 5.821 14.345 3.659 1.00 0.00 C ATOM 832 C VAL A1121 7.114 15.101 3.983 1.00 0.00 C ATOM 833 O VAL A1121 8.217 14.583 3.830 1.00 0.00 O ATOM 834 CB VAL A1121 5.587 14.294 2.131 1.00 0.00 C ATOM 835 CG1 VAL A1121 6.748 13.629 1.410 1.00 0.00 C ATOM 836 CG2 VAL A1121 4.282 13.567 1.817 1.00 0.00 C ATOM 0 H VAL A1121 4.019 15.399 3.689 1.00 0.00 H new ATOM 0 HA VAL A1121 5.918 13.322 4.023 1.00 0.00 H new ATOM 0 HB VAL A1121 5.517 15.321 1.772 1.00 0.00 H new ATOM 0 HG11 VAL A1121 6.549 13.611 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A1121 7.663 14.190 1.599 1.00 0.00 H new ATOM 0 HG13 VAL A1121 6.866 12.608 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A1121 4.131 13.539 0.738 1.00 0.00 H new ATOM 0 HG22 VAL A1121 4.331 12.549 2.203 1.00 0.00 H new ATOM 0 HG23 VAL A1121 3.450 14.093 2.286 1.00 0.00 H new ATOM 846 N SER A1122 6.954 16.320 4.480 1.00 0.00 N ATOM 847 CA SER A1122 8.077 17.172 4.843 1.00 0.00 C ATOM 848 C SER A1122 8.905 16.566 5.978 1.00 0.00 C ATOM 849 O SER A1122 10.104 16.825 6.090 1.00 0.00 O ATOM 850 CB SER A1122 7.544 18.541 5.258 1.00 0.00 C ATOM 851 OG SER A1122 6.137 18.605 5.073 1.00 0.00 O ATOM 0 H SER A1122 6.041 16.746 4.643 1.00 0.00 H new ATOM 0 HA SER A1122 8.733 17.268 3.978 1.00 0.00 H new ATOM 0 HB2 SER A1122 7.788 18.731 6.303 1.00 0.00 H new ATOM 0 HB3 SER A1122 8.030 19.320 4.670 1.00 0.00 H new ATOM 0 HG SER A1122 5.915 19.384 4.521 1.00 0.00 H new ATOM 857 N PHE A1123 8.267 15.756 6.815 1.00 0.00 N ATOM 858 CA PHE A1123 8.927 15.213 7.997 1.00 0.00 C ATOM 859 C PHE A1123 9.175 13.716 7.837 1.00 0.00 C ATOM 860 O PHE A1123 9.668 13.045 8.752 1.00 0.00 O ATOM 861 CB PHE A1123 8.084 15.475 9.257 1.00 0.00 C ATOM 862 CG PHE A1123 7.857 16.931 9.596 1.00 0.00 C ATOM 863 CD1 PHE A1123 7.580 17.862 8.611 1.00 0.00 C ATOM 864 CD2 PHE A1123 7.882 17.358 10.913 1.00 0.00 C ATOM 865 CE1 PHE A1123 7.334 19.176 8.921 1.00 0.00 C ATOM 866 CE2 PHE A1123 7.638 18.683 11.236 1.00 0.00 C ATOM 867 CZ PHE A1123 7.363 19.593 10.231 1.00 0.00 C ATOM 0 H PHE A1123 7.297 15.462 6.698 1.00 0.00 H new ATOM 0 HA PHE A1123 9.888 15.716 8.107 1.00 0.00 H new ATOM 0 HB2 PHE A1123 7.114 14.994 9.131 1.00 0.00 H new ATOM 0 HB3 PHE A1123 8.571 14.994 10.105 1.00 0.00 H new ATOM 0 HD1 PHE A1123 7.557 17.549 7.578 1.00 0.00 H new ATOM 0 HD2 PHE A1123 8.095 16.649 11.699 1.00 0.00 H new ATOM 0 HE1 PHE A1123 7.117 19.884 8.135 1.00 0.00 H new ATOM 0 HE2 PHE A1123 7.662 19.004 12.267 1.00 0.00 H new ATOM 0 HZ PHE A1123 7.172 20.628 10.475 1.00 0.00 H new ATOM 877 N VAL A1124 8.842 13.188 6.669 1.00 0.00 N ATOM 878 CA VAL A1124 9.021 11.768 6.403 1.00 0.00 C ATOM 879 C VAL A1124 9.774 11.561 5.096 1.00 0.00 C ATOM 880 O VAL A1124 9.992 12.501 4.338 1.00 0.00 O ATOM 881 CB VAL A1124 7.670 11.005 6.352 1.00 0.00 C ATOM 882 CG1 VAL A1124 7.061 10.880 7.737 1.00 0.00 C ATOM 883 CG2 VAL A1124 6.684 11.692 5.423 1.00 0.00 C ATOM 0 H VAL A1124 8.448 13.719 5.892 1.00 0.00 H new ATOM 0 HA VAL A1124 9.603 11.362 7.230 1.00 0.00 H new ATOM 0 HB VAL A1124 7.878 10.007 5.966 1.00 0.00 H new ATOM 0 HG11 VAL A1124 6.116 10.341 7.672 1.00 0.00 H new ATOM 0 HG12 VAL A1124 7.745 10.335 8.387 1.00 0.00 H new ATOM 0 HG13 VAL A1124 6.885 11.874 8.148 1.00 0.00 H new ATOM 0 HG21 VAL A1124 5.748 11.134 5.409 1.00 0.00 H new ATOM 0 HG22 VAL A1124 6.497 12.706 5.777 1.00 0.00 H new ATOM 0 HG23 VAL A1124 7.099 11.730 4.416 1.00 0.00 H new ATOM 893 N HIS A1125 10.190 10.332 4.848 1.00 0.00 N ATOM 894 CA HIS A1125 10.913 10.004 3.631 1.00 0.00 C ATOM 895 C HIS A1125 10.315 8.753 3.004 1.00 0.00 C ATOM 896 O HIS A1125 10.034 7.778 3.701 1.00 0.00 O ATOM 897 CB HIS A1125 12.406 9.818 3.940 1.00 0.00 C ATOM 898 CG HIS A1125 13.205 9.216 2.824 1.00 0.00 C ATOM 899 ND1 HIS A1125 13.623 9.918 1.718 1.00 0.00 N ATOM 900 CD2 HIS A1125 13.659 7.956 2.658 1.00 0.00 C ATOM 901 CE1 HIS A1125 14.295 9.113 0.917 1.00 0.00 C ATOM 902 NE2 HIS A1125 14.332 7.913 1.463 1.00 0.00 N ATOM 0 H HIS A1125 10.039 9.542 5.475 1.00 0.00 H new ATOM 0 HA HIS A1125 10.820 10.822 2.917 1.00 0.00 H new ATOM 0 HB2 HIS A1125 12.834 10.788 4.194 1.00 0.00 H new ATOM 0 HB3 HIS A1125 12.505 9.185 4.822 1.00 0.00 H new ATOM 0 HD2 HIS A1125 13.518 7.132 3.341 1.00 0.00 H new ATOM 0 HE1 HIS A1125 14.740 9.390 -0.027 1.00 0.00 H new ATOM 0 HE2 HIS A1125 14.785 7.091 1.064 1.00 0.00 H new ATOM 911 N ILE A1126 10.126 8.796 1.695 1.00 0.00 N ATOM 912 CA ILE A1126 9.427 7.736 0.978 1.00 0.00 C ATOM 913 C ILE A1126 10.303 6.505 0.784 1.00 0.00 C ATOM 914 O ILE A1126 11.470 6.601 0.403 1.00 0.00 O ATOM 915 CB ILE A1126 8.895 8.228 -0.401 1.00 0.00 C ATOM 916 CG1 ILE A1126 7.590 9.012 -0.243 1.00 0.00 C ATOM 917 CG2 ILE A1126 8.681 7.073 -1.373 1.00 0.00 C ATOM 918 CD1 ILE A1126 7.749 10.382 0.376 1.00 0.00 C ATOM 0 H ILE A1126 10.449 9.560 1.101 1.00 0.00 H new ATOM 0 HA ILE A1126 8.576 7.456 1.599 1.00 0.00 H new ATOM 0 HB ILE A1126 9.660 8.887 -0.813 1.00 0.00 H new ATOM 0 HG12 ILE A1126 7.127 9.122 -1.224 1.00 0.00 H new ATOM 0 HG13 ILE A1126 6.903 8.428 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A1126 8.310 7.460 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A1126 9.626 6.556 -1.537 1.00 0.00 H new ATOM 0 HG23 ILE A1126 7.954 6.376 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A1126 6.774 10.864 0.449 1.00 0.00 H new ATOM 0 HD12 ILE A1126 8.180 10.283 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A1126 8.408 10.988 -0.246 1.00 0.00 H new ATOM 930 N LEU A1127 9.710 5.350 1.053 1.00 0.00 N ATOM 931 CA LEU A1127 10.368 4.066 0.903 1.00 0.00 C ATOM 932 C LEU A1127 9.525 3.160 0.023 1.00 0.00 C ATOM 933 O LEU A1127 8.699 2.383 0.512 1.00 0.00 O ATOM 934 CB LEU A1127 10.566 3.416 2.267 1.00 0.00 C ATOM 935 CG LEU A1127 11.225 4.315 3.305 1.00 0.00 C ATOM 936 CD1 LEU A1127 11.199 3.663 4.671 1.00 0.00 C ATOM 937 CD2 LEU A1127 12.649 4.648 2.905 1.00 0.00 C ATOM 0 H LEU A1127 8.748 5.281 1.385 1.00 0.00 H new ATOM 0 HA LEU A1127 11.342 4.219 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A1127 9.596 3.094 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A1127 11.173 2.519 2.143 1.00 0.00 H new ATOM 0 HG LEU A1127 10.657 5.244 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A1127 11.675 4.322 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A1127 10.166 3.481 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A1127 11.738 2.716 4.633 1.00 0.00 H new ATOM 0 HD21 LEU A1127 13.099 5.291 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A1127 13.228 3.728 2.820 1.00 0.00 H new ATOM 0 HD23 LEU A1127 12.646 5.165 1.945 1.00 0.00 H new ATOM 949 N SER A1128 9.729 3.265 -1.276 1.00 0.00 N ATOM 950 CA SER A1128 8.999 2.437 -2.230 1.00 0.00 C ATOM 951 C SER A1128 9.717 1.107 -2.408 1.00 0.00 C ATOM 952 O SER A1128 9.302 0.240 -3.179 1.00 0.00 O ATOM 953 CB SER A1128 8.853 3.162 -3.569 1.00 0.00 C ATOM 954 OG SER A1128 8.263 4.441 -3.387 1.00 0.00 O ATOM 0 H SER A1128 10.393 3.914 -1.699 1.00 0.00 H new ATOM 0 HA SER A1128 7.998 2.246 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A1128 9.831 3.271 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A1128 8.240 2.566 -4.245 1.00 0.00 H new ATOM 0 HG SER A1128 8.180 4.889 -4.254 1.00 0.00 H new ATOM 960 N ASP A1129 10.799 0.979 -1.673 1.00 0.00 N ATOM 961 CA ASP A1129 11.588 -0.237 -1.620 1.00 0.00 C ATOM 962 C ASP A1129 12.067 -0.445 -0.200 1.00 0.00 C ATOM 963 O ASP A1129 11.425 -1.220 0.539 1.00 0.00 O ATOM 964 CB ASP A1129 12.791 -0.169 -2.569 1.00 0.00 C ATOM 965 CG ASP A1129 12.442 -0.539 -3.997 1.00 0.00 C ATOM 966 OD1 ASP A1129 12.157 -1.727 -4.250 1.00 0.00 O ATOM 967 OD2 ASP A1129 12.471 0.348 -4.877 1.00 0.00 O ATOM 968 OXT ASP A1129 13.059 0.202 0.191 1.00 0.00 O ATOM 0 H ASP A1129 11.164 1.728 -1.084 1.00 0.00 H new ATOM 0 HA ASP A1129 10.964 -1.072 -1.937 1.00 0.00 H new ATOM 0 HB2 ASP A1129 13.204 0.840 -2.552 1.00 0.00 H new ATOM 0 HB3 ASP A1129 13.571 -0.839 -2.206 1.00 0.00 H new ATOM 974 N CYS B1578 17.299 8.325 13.773 1.00 0.00 N ATOM 975 CA CYS B1578 18.164 9.522 13.722 1.00 0.00 C ATOM 976 C CYS B1578 17.410 10.687 13.096 1.00 0.00 C ATOM 977 O CYS B1578 16.820 10.542 12.026 1.00 0.00 O ATOM 978 CB CYS B1578 19.412 9.227 12.889 1.00 0.00 C ATOM 979 SG CYS B1578 20.347 7.779 13.431 1.00 0.00 S ATOM 0 HA CYS B1578 18.456 9.784 14.739 1.00 0.00 H new ATOM 0 HB2 CYS B1578 19.115 9.084 11.850 1.00 0.00 H new ATOM 0 HB3 CYS B1578 20.067 10.098 12.917 1.00 0.00 H new ATOM 0 HG CYS B1578 21.381 7.616 12.660 1.00 0.00 H new ATOM 987 N ILE B1579 17.407 11.831 13.762 1.00 0.00 N ATOM 988 CA ILE B1579 16.811 13.025 13.185 1.00 0.00 C ATOM 989 C ILE B1579 17.618 13.482 11.989 1.00 0.00 C ATOM 990 O ILE B1579 18.833 13.672 12.075 1.00 0.00 O ATOM 991 CB ILE B1579 16.708 14.196 14.189 1.00 0.00 C ATOM 992 CG1 ILE B1579 15.632 13.916 15.237 1.00 0.00 C ATOM 993 CG2 ILE B1579 16.411 15.504 13.463 1.00 0.00 C ATOM 994 CD1 ILE B1579 15.244 15.147 16.026 1.00 0.00 C ATOM 0 H ILE B1579 17.806 11.958 14.692 1.00 0.00 H new ATOM 0 HA ILE B1579 15.799 12.750 12.889 1.00 0.00 H new ATOM 0 HB ILE B1579 17.668 14.292 14.696 1.00 0.00 H new ATOM 0 HG12 ILE B1579 14.747 13.513 14.744 1.00 0.00 H new ATOM 0 HG13 ILE B1579 15.991 13.149 15.923 1.00 0.00 H new ATOM 0 HG21 ILE B1579 16.343 16.315 14.188 1.00 0.00 H new ATOM 0 HG22 ILE B1579 17.212 15.717 12.755 1.00 0.00 H new ATOM 0 HG23 ILE B1579 15.466 15.416 12.927 1.00 0.00 H new ATOM 0 HD11 ILE B1579 14.476 14.885 16.754 1.00 0.00 H new ATOM 0 HD12 ILE B1579 16.119 15.537 16.545 1.00 0.00 H new ATOM 0 HD13 ILE B1579 14.856 15.907 15.347 1.00 0.00 H new ATOM 1006 N ILE B1580 16.939 13.637 10.875 1.00 0.00 N ATOM 1007 CA ILE B1580 17.557 14.161 9.681 1.00 0.00 C ATOM 1008 C ILE B1580 17.714 15.668 9.819 1.00 0.00 C ATOM 1009 O ILE B1580 16.805 16.338 10.277 1.00 0.00 O ATOM 1010 CB ILE B1580 16.730 13.797 8.419 1.00 0.00 C ATOM 1011 CG1 ILE B1580 17.202 12.460 7.843 1.00 0.00 C ATOM 1012 CG2 ILE B1580 16.801 14.885 7.359 1.00 0.00 C ATOM 1013 CD1 ILE B1580 17.084 11.313 8.815 1.00 0.00 C ATOM 0 H ILE B1580 15.951 13.405 10.772 1.00 0.00 H new ATOM 0 HA ILE B1580 18.542 13.710 9.560 1.00 0.00 H new ATOM 0 HB ILE B1580 15.688 13.707 8.725 1.00 0.00 H new ATOM 0 HG12 ILE B1580 16.619 12.231 6.951 1.00 0.00 H new ATOM 0 HG13 ILE B1580 18.242 12.555 7.529 1.00 0.00 H new ATOM 0 HG21 ILE B1580 16.208 14.589 6.493 1.00 0.00 H new ATOM 0 HG22 ILE B1580 16.408 15.816 7.767 1.00 0.00 H new ATOM 0 HG23 ILE B1580 17.838 15.031 7.056 1.00 0.00 H new ATOM 0 HD11 ILE B1580 17.436 10.397 8.341 1.00 0.00 H new ATOM 0 HD12 ILE B1580 17.689 11.520 9.698 1.00 0.00 H new ATOM 0 HD13 ILE B1580 16.042 11.192 9.110 1.00 0.00 H new ATOM 1025 N SER B1581 18.900 16.160 9.496 1.00 0.00 N ATOM 1026 CA SER B1581 19.179 17.591 9.413 1.00 0.00 C ATOM 1027 C SER B1581 18.595 18.380 10.598 1.00 0.00 C ATOM 1028 O SER B1581 18.691 17.966 11.761 1.00 0.00 O ATOM 1029 CB SER B1581 18.605 18.122 8.098 1.00 0.00 C ATOM 1030 OG SER B1581 19.170 19.376 7.750 1.00 0.00 O ATOM 0 H SER B1581 19.706 15.573 9.281 1.00 0.00 H new ATOM 0 HA SER B1581 20.260 17.728 9.450 1.00 0.00 H new ATOM 0 HB2 SER B1581 18.795 17.403 7.301 1.00 0.00 H new ATOM 0 HB3 SER B1581 17.523 18.222 8.187 1.00 0.00 H new ATOM 0 HG SER B1581 18.462 19.980 7.443 1.00 0.00 H new ATOM 1036 N ALA B1582 18.034 19.543 10.286 1.00 0.00 N ATOM 1037 CA ALA B1582 17.277 20.329 11.241 1.00 0.00 C ATOM 1038 C ALA B1582 15.812 20.330 10.825 1.00 0.00 C ATOM 1039 O ALA B1582 15.503 20.203 9.640 1.00 0.00 O ATOM 1040 CB ALA B1582 17.817 21.749 11.318 1.00 0.00 C ATOM 0 H ALA B1582 18.094 19.965 9.359 1.00 0.00 H new ATOM 0 HA ALA B1582 17.373 19.888 12.233 1.00 0.00 H new ATOM 0 HB1 ALA B1582 17.235 22.321 12.040 1.00 0.00 H new ATOM 0 HB2 ALA B1582 18.861 21.725 11.631 1.00 0.00 H new ATOM 0 HB3 ALA B1582 17.743 22.220 10.338 1.00 0.00 H new ATOM 1046 N MET B1583 14.924 20.475 11.802 1.00 0.00 N ATOM 1047 CA MET B1583 13.483 20.357 11.579 1.00 0.00 C ATOM 1048 C MET B1583 12.988 21.218 10.417 1.00 0.00 C ATOM 1049 O MET B1583 13.333 22.398 10.306 1.00 0.00 O ATOM 1050 CB MET B1583 12.727 20.721 12.859 1.00 0.00 C ATOM 1051 CG MET B1583 11.225 20.840 12.666 1.00 0.00 C ATOM 1052 SD MET B1583 10.293 20.181 14.055 1.00 0.00 S ATOM 1053 CE MET B1583 10.701 18.449 13.885 1.00 0.00 C ATOM 0 H MET B1583 15.179 20.677 12.769 1.00 0.00 H new ATOM 0 HA MET B1583 13.286 19.319 11.310 1.00 0.00 H new ATOM 0 HB2 MET B1583 12.928 19.965 13.617 1.00 0.00 H new ATOM 0 HB3 MET B1583 13.112 21.666 13.242 1.00 0.00 H new ATOM 0 HG2 MET B1583 10.963 21.888 12.523 1.00 0.00 H new ATOM 0 HG3 MET B1583 10.937 20.312 11.757 1.00 0.00 H new ATOM 0 HE1 MET B1583 10.249 17.887 14.702 1.00 0.00 H new ATOM 0 HE2 MET B1583 10.320 18.077 12.934 1.00 0.00 H new ATOM 0 HE3 MET B1583 11.784 18.326 13.915 1.00 0.00 H new ATOM 1063 N PRO B1584 12.160 20.623 9.536 1.00 0.00 N ATOM 1064 CA PRO B1584 11.526 21.327 8.440 1.00 0.00 C ATOM 1065 C PRO B1584 10.265 22.023 8.917 1.00 0.00 C ATOM 1066 O PRO B1584 9.941 21.997 10.106 1.00 0.00 O ATOM 1067 CB PRO B1584 11.189 20.205 7.460 1.00 0.00 C ATOM 1068 CG PRO B1584 10.909 19.035 8.329 1.00 0.00 C ATOM 1069 CD PRO B1584 11.761 19.208 9.561 1.00 0.00 C ATOM 0 HA PRO B1584 12.152 22.104 8.002 1.00 0.00 H new ATOM 0 HB2 PRO B1584 10.326 20.460 6.844 1.00 0.00 H new ATOM 0 HB3 PRO B1584 12.018 20.007 6.781 1.00 0.00 H new ATOM 0 HG2 PRO B1584 9.852 18.990 8.591 1.00 0.00 H new ATOM 0 HG3 PRO B1584 11.151 18.104 7.817 1.00 0.00 H new ATOM 0 HD2 PRO B1584 11.203 18.969 10.466 1.00 0.00 H new ATOM 0 HD3 PRO B1584 12.630 18.550 9.539 1.00 0.00 H new ATOM 1077 N THR B1585 9.550 22.632 8.006 1.00 0.00 N ATOM 1078 CA THR B1585 8.360 23.357 8.369 1.00 0.00 C ATOM 1079 C THR B1585 7.132 22.574 7.955 1.00 0.00 C ATOM 1080 O THR B1585 7.032 22.122 6.813 1.00 0.00 O ATOM 1081 CB THR B1585 8.316 24.745 7.706 1.00 0.00 C ATOM 1082 OG1 THR B1585 9.592 25.391 7.832 1.00 0.00 O ATOM 1083 CG2 THR B1585 7.240 25.615 8.345 1.00 0.00 C ATOM 0 H THR B1585 9.770 22.640 7.010 1.00 0.00 H new ATOM 0 HA THR B1585 8.375 23.491 9.451 1.00 0.00 H new ATOM 0 HB THR B1585 8.078 24.611 6.651 1.00 0.00 H new ATOM 0 HG1 THR B1585 9.556 26.273 7.406 1.00 0.00 H new ATOM 0 HG21 THR B1585 7.227 26.591 7.861 1.00 0.00 H new ATOM 0 HG22 THR B1585 6.268 25.137 8.226 1.00 0.00 H new ATOM 0 HG23 THR B1585 7.455 25.739 9.406 1.00 0.00 H new ATOM 1091 N LYS B1586 6.224 22.379 8.897 1.00 0.00 N ATOM 1092 CA LYS B1586 4.918 21.836 8.582 1.00 0.00 C ATOM 1093 C LYS B1586 4.223 22.833 7.668 1.00 0.00 C ATOM 1094 O LYS B1586 3.655 23.824 8.125 1.00 0.00 O ATOM 1095 CB LYS B1586 4.121 21.590 9.863 1.00 0.00 C ATOM 1096 CG LYS B1586 2.783 20.915 9.634 1.00 0.00 C ATOM 1097 CD LYS B1586 1.641 21.870 9.911 1.00 0.00 C ATOM 1098 CE LYS B1586 1.660 22.335 11.353 1.00 0.00 C ATOM 1099 NZ LYS B1586 0.597 23.341 11.621 1.00 0.00 N ATOM 0 H LYS B1586 6.369 22.589 9.884 1.00 0.00 H new ATOM 0 HA LYS B1586 5.003 20.873 8.079 1.00 0.00 H new ATOM 0 HB2 LYS B1586 4.717 20.975 10.537 1.00 0.00 H new ATOM 0 HB3 LYS B1586 3.955 22.543 10.365 1.00 0.00 H new ATOM 0 HG2 LYS B1586 2.723 20.558 8.606 1.00 0.00 H new ATOM 0 HG3 LYS B1586 2.697 20.041 10.280 1.00 0.00 H new ATOM 0 HD2 LYS B1586 1.713 22.731 9.246 1.00 0.00 H new ATOM 0 HD3 LYS B1586 0.692 21.380 9.696 1.00 0.00 H new ATOM 0 HE2 LYS B1586 1.525 21.478 12.013 1.00 0.00 H new ATOM 0 HE3 LYS B1586 2.635 22.765 11.584 1.00 0.00 H new ATOM 0 HZ1 LYS B1586 0.608 23.598 12.629 1.00 0.00 H new ATOM 0 HZ2 LYS B1586 0.769 24.190 11.045 1.00 0.00 H new ATOM 0 HZ3 LYS B1586 -0.331 22.939 11.376 1.00 0.00 H new ATOM 1113 N SER B1587 4.303 22.565 6.374 1.00 0.00 N ATOM 1114 CA SER B1587 3.947 23.534 5.334 1.00 0.00 C ATOM 1115 C SER B1587 2.447 23.767 5.222 1.00 0.00 C ATOM 1116 O SER B1587 1.971 24.239 4.187 1.00 0.00 O ATOM 1117 CB SER B1587 4.475 23.050 3.991 1.00 0.00 C ATOM 1118 OG SER B1587 5.840 22.688 4.082 1.00 0.00 O ATOM 0 H SER B1587 4.618 21.666 6.008 1.00 0.00 H new ATOM 0 HA SER B1587 4.402 24.483 5.617 1.00 0.00 H new ATOM 0 HB2 SER B1587 3.890 22.194 3.654 1.00 0.00 H new ATOM 0 HB3 SER B1587 4.352 23.834 3.244 1.00 0.00 H new ATOM 0 HG SER B1587 6.014 21.920 3.499 1.00 0.00 H new ATOM 1124 N SER B1588 1.726 23.446 6.287 1.00 0.00 N ATOM 1125 CA SER B1588 0.283 23.578 6.339 1.00 0.00 C ATOM 1126 C SER B1588 -0.389 22.634 5.349 1.00 0.00 C ATOM 1127 O SER B1588 -0.070 22.612 4.162 1.00 0.00 O ATOM 1128 CB SER B1588 -0.140 25.029 6.078 1.00 0.00 C ATOM 1129 OG SER B1588 0.546 25.922 6.944 1.00 0.00 O ATOM 0 H SER B1588 2.135 23.083 7.148 1.00 0.00 H new ATOM 0 HA SER B1588 -0.043 23.302 7.342 1.00 0.00 H new ATOM 0 HB2 SER B1588 0.068 25.291 5.041 1.00 0.00 H new ATOM 0 HB3 SER B1588 -1.216 25.130 6.223 1.00 0.00 H new ATOM 0 HG SER B1588 0.261 26.841 6.758 1.00 0.00 H new ATOM 1135 N ARG B1589 -1.298 21.826 5.850 1.00 0.00 N ATOM 1136 CA ARG B1589 -2.058 20.941 4.994 1.00 0.00 C ATOM 1137 C ARG B1589 -3.076 21.750 4.206 1.00 0.00 C ATOM 1138 O ARG B1589 -4.099 22.191 4.735 1.00 0.00 O ATOM 1139 CB ARG B1589 -2.698 19.860 5.840 1.00 0.00 C ATOM 1140 CG ARG B1589 -3.618 18.924 5.094 1.00 0.00 C ATOM 1141 CD ARG B1589 -3.979 17.768 5.994 1.00 0.00 C ATOM 1142 NE ARG B1589 -5.224 17.119 5.593 1.00 0.00 N ATOM 1143 CZ ARG B1589 -6.207 16.789 6.430 1.00 0.00 C ATOM 1144 NH1 ARG B1589 -6.114 17.058 7.726 1.00 0.00 N ATOM 1145 NH2 ARG B1589 -7.291 16.184 5.965 1.00 0.00 N ATOM 0 H ARG B1589 -1.528 21.763 6.842 1.00 0.00 H new ATOM 0 HA ARG B1589 -1.409 20.448 4.270 1.00 0.00 H new ATOM 0 HB2 ARG B1589 -1.909 19.272 6.309 1.00 0.00 H new ATOM 0 HB3 ARG B1589 -3.261 20.335 6.643 1.00 0.00 H new ATOM 0 HG2 ARG B1589 -4.518 19.452 4.780 1.00 0.00 H new ATOM 0 HG3 ARG B1589 -3.131 18.559 4.190 1.00 0.00 H new ATOM 0 HD2 ARG B1589 -3.171 17.036 5.983 1.00 0.00 H new ATOM 0 HD3 ARG B1589 -4.072 18.125 7.020 1.00 0.00 H new ATOM 0 HE ARG B1589 -5.350 16.903 4.604 1.00 0.00 H new ATOM 0 HH11 ARG B1589 -5.283 17.523 8.092 1.00 0.00 H new ATOM 0 HH12 ARG B1589 -6.873 16.800 8.356 1.00 0.00 H new ATOM 0 HH21 ARG B1589 -7.370 15.973 4.970 1.00 0.00 H new ATOM 0 HH22 ARG B1589 -8.046 15.930 6.602 1.00 0.00 H new ATOM 1159 N LYS B1590 -2.767 21.922 2.934 1.00 0.00 N ATOM 1160 CA LYS B1590 -3.424 22.903 2.074 1.00 0.00 C ATOM 1161 C LYS B1590 -4.803 22.435 1.641 1.00 0.00 C ATOM 1162 O LYS B1590 -5.558 23.177 1.011 1.00 0.00 O ATOM 1163 CB LYS B1590 -2.542 23.151 0.854 1.00 0.00 C ATOM 1164 CG LYS B1590 -1.065 23.205 1.201 1.00 0.00 C ATOM 1165 CD LYS B1590 -0.196 23.252 -0.036 1.00 0.00 C ATOM 1166 CE LYS B1590 1.258 22.948 0.296 1.00 0.00 C ATOM 1167 NZ LYS B1590 1.834 23.928 1.256 1.00 0.00 N ATOM 0 H LYS B1590 -2.045 21.381 2.459 1.00 0.00 H new ATOM 0 HA LYS B1590 -3.560 23.828 2.635 1.00 0.00 H new ATOM 0 HB2 LYS B1590 -2.711 22.361 0.122 1.00 0.00 H new ATOM 0 HB3 LYS B1590 -2.835 24.089 0.383 1.00 0.00 H new ATOM 0 HG2 LYS B1590 -0.869 24.083 1.816 1.00 0.00 H new ATOM 0 HG3 LYS B1590 -0.800 22.332 1.798 1.00 0.00 H new ATOM 0 HD2 LYS B1590 -0.562 22.532 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS B1590 -0.268 24.238 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS B1590 1.330 21.945 0.717 1.00 0.00 H new ATOM 0 HE3 LYS B1590 1.847 22.952 -0.621 1.00 0.00 H new ATOM 0 HZ1 LYS B1590 2.863 23.988 1.115 1.00 0.00 H new ATOM 0 HZ2 LYS B1590 1.407 24.863 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS B1590 1.635 23.619 2.229 1.00 0.00 H new ATOM 1181 N ALA B1591 -5.119 21.201 1.975 1.00 0.00 N ATOM 1182 CA ALA B1591 -6.420 20.643 1.676 1.00 0.00 C ATOM 1183 C ALA B1591 -7.065 20.074 2.934 1.00 0.00 C ATOM 1184 O ALA B1591 -7.820 19.110 2.856 1.00 0.00 O ATOM 1185 CB ALA B1591 -6.293 19.569 0.605 1.00 0.00 C ATOM 0 H ALA B1591 -4.487 20.562 2.457 1.00 0.00 H new ATOM 0 HA ALA B1591 -7.062 21.439 1.299 1.00 0.00 H new ATOM 0 HB1 ALA B1591 -7.277 19.155 0.387 1.00 0.00 H new ATOM 0 HB2 ALA B1591 -5.874 20.007 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA B1591 -5.636 18.775 0.962 1.00 0.00 H new