USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 473 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= 0 (180deg=0) USER MOD Single : A1074 THR OG1 : rot 162:sc= 2.18 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -160:sc= 0 USER MOD Single : A1079 GLN : amide:sc= 1.2 K(o=1.2,f=-0.2) USER MOD Single : A1082 ASN : amide:sc= -1.49! K(o=-1.5!,f=-2.9) USER MOD Single : A1087 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A1097 THR OG1 : rot 180:sc= -0.766 USER MOD Single : A1102 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A1108 HIS : no HE2:sc= -2.98 K(o=-3,f=-4.3!) USER MOD Single : A1112 GLN : amide:sc= -2.42! K(o=-2.4!,f=-0.28) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot 180:sc= 0.00176 USER MOD Single : A1125 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A1128 SER OG : rot 180:sc= 0.0475 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 -1.106 -0.421 -1.187 1.00 0.00 N ATOM 2 CA VAL A1069 -1.158 -0.321 -2.666 1.00 0.00 C ATOM 3 C VAL A1069 -1.340 1.133 -3.094 1.00 0.00 C ATOM 4 O VAL A1069 -2.111 1.447 -4.002 1.00 0.00 O ATOM 5 CB VAL A1069 -2.287 -1.195 -3.260 1.00 0.00 C ATOM 6 CG1 VAL A1069 -1.993 -2.671 -3.032 1.00 0.00 C ATOM 7 CG2 VAL A1069 -3.640 -0.821 -2.668 1.00 0.00 C ATOM 0 HA VAL A1069 -0.210 -0.694 -3.053 1.00 0.00 H new ATOM 0 HB VAL A1069 -2.328 -1.010 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A1069 -2.797 -3.272 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A1069 -1.051 -2.933 -3.514 1.00 0.00 H new ATOM 0 HG13 VAL A1069 -1.920 -2.866 -1.962 1.00 0.00 H new ATOM 0 HG21 VAL A1069 -4.415 -1.452 -3.104 1.00 0.00 H new ATOM 0 HG22 VAL A1069 -3.618 -0.968 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A1069 -3.857 0.224 -2.888 1.00 0.00 H new ATOM 19 N ARG A1070 -0.601 2.013 -2.438 1.00 0.00 N ATOM 20 CA ARG A1070 -0.685 3.440 -2.685 1.00 0.00 C ATOM 21 C ARG A1070 0.068 3.782 -3.967 1.00 0.00 C ATOM 22 O ARG A1070 1.289 3.911 -3.960 1.00 0.00 O ATOM 23 CB ARG A1070 -0.083 4.180 -1.481 1.00 0.00 C ATOM 24 CG ARG A1070 -0.244 5.692 -1.502 1.00 0.00 C ATOM 25 CD ARG A1070 -1.692 6.107 -1.374 1.00 0.00 C ATOM 26 NE ARG A1070 -1.844 7.336 -0.594 1.00 0.00 N ATOM 27 CZ ARG A1070 -2.988 8.005 -0.469 1.00 0.00 C ATOM 28 NH1 ARG A1070 -4.092 7.549 -1.047 1.00 0.00 N ATOM 29 NH2 ARG A1070 -3.029 9.114 0.258 1.00 0.00 N ATOM 0 H ARG A1070 0.075 1.756 -1.718 1.00 0.00 H new ATOM 0 HA ARG A1070 -1.724 3.746 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -0.543 3.795 -0.571 1.00 0.00 H new ATOM 0 HB3 ARG A1070 0.980 3.945 -1.425 1.00 0.00 H new ATOM 0 HG2 ARG A1070 0.332 6.130 -0.687 1.00 0.00 H new ATOM 0 HG3 ARG A1070 0.166 6.088 -2.431 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -2.116 6.253 -2.367 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -2.258 5.305 -0.901 1.00 0.00 H new ATOM 0 HE ARG A1070 -1.021 7.703 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -4.065 6.685 -1.588 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -4.968 8.063 -0.950 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -2.185 9.453 0.720 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -3.905 9.628 0.355 1.00 0.00 H new ATOM 43 N ARG A1071 -0.654 3.913 -5.071 1.00 0.00 N ATOM 44 CA ARG A1071 -0.028 4.196 -6.340 1.00 0.00 C ATOM 45 C ARG A1071 -0.562 5.504 -6.882 1.00 0.00 C ATOM 46 O ARG A1071 -1.664 5.923 -6.536 1.00 0.00 O ATOM 47 CB ARG A1071 -0.316 3.088 -7.355 1.00 0.00 C ATOM 48 CG ARG A1071 -0.088 1.675 -6.850 1.00 0.00 C ATOM 49 CD ARG A1071 -0.525 0.663 -7.897 1.00 0.00 C ATOM 50 NE ARG A1071 -0.644 -0.688 -7.358 1.00 0.00 N ATOM 51 CZ ARG A1071 -1.812 -1.289 -7.129 1.00 0.00 C ATOM 52 NH1 ARG A1071 -2.948 -0.622 -7.322 1.00 0.00 N ATOM 53 NH2 ARG A1071 -1.843 -2.545 -6.697 1.00 0.00 N ATOM 0 H ARG A1071 -1.670 3.827 -5.107 1.00 0.00 H new ATOM 0 HA ARG A1071 1.049 4.258 -6.183 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.352 3.177 -7.682 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.311 3.249 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A1071 0.966 1.532 -6.614 1.00 0.00 H new ATOM 0 HG3 ARG A1071 -0.646 1.517 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A1071 -1.484 0.969 -8.314 1.00 0.00 H new ATOM 0 HD3 ARG A1071 0.193 0.661 -8.717 1.00 0.00 H new ATOM 0 HE ARG A1071 0.212 -1.200 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -2.923 0.346 -7.644 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -3.843 -1.079 -7.148 1.00 0.00 H new ATOM 0 HH21 ARG A1071 -0.972 -3.052 -6.540 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -2.738 -3.002 -6.523 1.00 0.00 H new ATOM 67 N VAL A1072 0.232 6.144 -7.706 1.00 0.00 N ATOM 68 CA VAL A1072 -0.192 7.313 -8.447 1.00 0.00 C ATOM 69 C VAL A1072 0.332 7.186 -9.875 1.00 0.00 C ATOM 70 O VAL A1072 1.221 6.383 -10.138 1.00 0.00 O ATOM 71 CB VAL A1072 0.323 8.626 -7.818 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.237 8.816 -6.418 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.842 8.664 -7.794 1.00 0.00 C ATOM 0 H VAL A1072 1.198 5.868 -7.884 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.281 7.359 -8.429 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.027 9.449 -8.441 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.141 9.748 -5.998 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.325 8.854 -6.464 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.071 7.982 -5.787 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.176 9.600 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.218 7.826 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.224 8.593 -8.812 1.00 0.00 H new ATOM 83 N LYS A1073 -0.218 7.950 -10.792 1.00 0.00 N ATOM 84 CA LYS A1073 0.226 7.917 -12.170 1.00 0.00 C ATOM 85 C LYS A1073 0.286 9.325 -12.710 1.00 0.00 C ATOM 86 O LYS A1073 -0.722 10.020 -12.770 1.00 0.00 O ATOM 87 CB LYS A1073 -0.711 7.083 -13.028 1.00 0.00 C ATOM 88 CG LYS A1073 -0.172 6.842 -14.418 1.00 0.00 C ATOM 89 CD LYS A1073 -1.253 6.332 -15.338 1.00 0.00 C ATOM 90 CE LYS A1073 -0.673 5.880 -16.663 1.00 0.00 C ATOM 91 NZ LYS A1073 -1.737 5.517 -17.634 1.00 0.00 N ATOM 0 H LYS A1073 -0.978 8.605 -10.608 1.00 0.00 H new ATOM 0 HA LYS A1073 1.216 7.461 -12.203 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -0.887 6.124 -12.540 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -1.675 7.586 -13.099 1.00 0.00 H new ATOM 0 HG2 LYS A1073 0.242 7.768 -14.817 1.00 0.00 H new ATOM 0 HG3 LYS A1073 0.644 6.120 -14.375 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.776 5.501 -14.864 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -1.990 7.117 -15.509 1.00 0.00 H new ATOM 0 HE2 LYS A1073 -0.056 6.676 -17.080 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.020 5.022 -16.501 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 -1.302 5.213 -18.528 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -2.311 4.741 -17.246 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -2.345 6.343 -17.808 1.00 0.00 H new ATOM 105 N THR A1074 1.466 9.733 -13.090 1.00 0.00 N ATOM 106 CA THR A1074 1.716 11.097 -13.505 1.00 0.00 C ATOM 107 C THR A1074 0.826 11.510 -14.677 1.00 0.00 C ATOM 108 O THR A1074 0.851 10.899 -15.747 1.00 0.00 O ATOM 109 CB THR A1074 3.195 11.259 -13.871 1.00 0.00 C ATOM 110 OG1 THR A1074 3.510 10.461 -15.017 1.00 0.00 O ATOM 111 CG2 THR A1074 4.059 10.817 -12.702 1.00 0.00 C ATOM 0 H THR A1074 2.288 9.130 -13.123 1.00 0.00 H new ATOM 0 HA THR A1074 1.472 11.754 -12.671 1.00 0.00 H new ATOM 0 HB THR A1074 3.389 12.307 -14.099 1.00 0.00 H new ATOM 0 HG1 THR A1074 4.351 10.773 -15.412 1.00 0.00 H new ATOM 0 HG21 THR A1074 5.111 10.932 -12.963 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.832 11.430 -11.830 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.855 9.771 -12.474 1.00 0.00 H new ATOM 119 N ILE A1075 0.014 12.531 -14.454 1.00 0.00 N ATOM 120 CA ILE A1075 -0.869 13.051 -15.489 1.00 0.00 C ATOM 121 C ILE A1075 -0.326 14.369 -16.033 1.00 0.00 C ATOM 122 O ILE A1075 -0.881 14.951 -16.964 1.00 0.00 O ATOM 123 CB ILE A1075 -2.315 13.241 -14.967 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.291 13.867 -13.569 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.068 11.912 -14.964 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.656 14.004 -12.925 1.00 0.00 C ATOM 0 H ILE A1075 -0.053 13.019 -13.561 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.902 12.317 -16.294 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.844 13.919 -15.637 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.656 13.261 -12.923 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.831 14.853 -13.633 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.081 12.069 -14.594 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.110 11.515 -15.978 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.551 11.202 -14.318 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.549 14.456 -11.939 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.290 14.636 -13.547 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.112 13.019 -12.826 1.00 0.00 H new ATOM 138 N TYR A1076 0.769 14.829 -15.436 1.00 0.00 N ATOM 139 CA TYR A1076 1.463 16.030 -15.892 1.00 0.00 C ATOM 140 C TYR A1076 2.972 15.811 -15.847 1.00 0.00 C ATOM 141 O TYR A1076 3.464 15.017 -15.046 1.00 0.00 O ATOM 142 CB TYR A1076 1.106 17.237 -15.021 1.00 0.00 C ATOM 143 CG TYR A1076 -0.302 17.759 -15.203 1.00 0.00 C ATOM 144 CD1 TYR A1076 -0.610 18.633 -16.239 1.00 0.00 C ATOM 145 CD2 TYR A1076 -1.321 17.383 -14.338 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.891 19.124 -16.402 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.604 17.868 -14.496 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.885 18.735 -15.530 1.00 0.00 C ATOM 149 OH TYR A1076 -4.164 19.221 -15.684 1.00 0.00 O ATOM 0 H TYR A1076 1.199 14.383 -14.626 1.00 0.00 H new ATOM 0 HA TYR A1076 1.147 16.230 -16.916 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.245 16.965 -13.975 1.00 0.00 H new ATOM 0 HB3 TYR A1076 1.808 18.043 -15.237 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.165 18.933 -16.928 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -1.107 16.700 -13.529 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -2.112 19.808 -17.208 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -3.384 17.569 -13.812 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.742 18.847 -14.987 1.00 0.00 H new ATOM 159 N ASP A1077 3.692 16.497 -16.724 1.00 0.00 N ATOM 160 CA ASP A1077 5.151 16.447 -16.743 1.00 0.00 C ATOM 161 C ASP A1077 5.736 17.306 -15.627 1.00 0.00 C ATOM 162 O ASP A1077 5.360 18.471 -15.467 1.00 0.00 O ATOM 163 CB ASP A1077 5.674 16.930 -18.099 1.00 0.00 C ATOM 164 CG ASP A1077 7.169 17.181 -18.109 1.00 0.00 C ATOM 165 OD1 ASP A1077 7.942 16.204 -18.090 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.577 18.362 -18.149 1.00 0.00 O ATOM 0 H ASP A1077 3.286 17.101 -17.439 1.00 0.00 H new ATOM 0 HA ASP A1077 5.461 15.414 -16.584 1.00 0.00 H new ATOM 0 HB2 ASP A1077 5.432 16.188 -18.860 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.156 17.849 -18.374 1.00 0.00 H new ATOM 171 N CYS A1078 6.649 16.729 -14.859 1.00 0.00 N ATOM 172 CA CYS A1078 7.289 17.450 -13.771 1.00 0.00 C ATOM 173 C CYS A1078 8.802 17.369 -13.910 1.00 0.00 C ATOM 174 O CYS A1078 9.380 16.278 -13.980 1.00 0.00 O ATOM 175 CB CYS A1078 6.857 16.905 -12.413 1.00 0.00 C ATOM 176 SG CYS A1078 7.455 17.869 -11.004 1.00 0.00 S ATOM 0 H CYS A1078 6.962 15.765 -14.970 1.00 0.00 H new ATOM 0 HA CYS A1078 6.977 18.493 -13.829 1.00 0.00 H new ATOM 0 HB2 CYS A1078 5.768 16.868 -12.378 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.214 15.880 -12.315 1.00 0.00 H new ATOM 0 HG CYS A1078 7.414 17.138 -9.930 1.00 0.00 H new ATOM 182 N GLN A1079 9.436 18.524 -13.959 1.00 0.00 N ATOM 183 CA GLN A1079 10.870 18.612 -14.148 1.00 0.00 C ATOM 184 C GLN A1079 11.547 18.984 -12.838 1.00 0.00 C ATOM 185 O GLN A1079 11.554 20.146 -12.429 1.00 0.00 O ATOM 186 CB GLN A1079 11.176 19.638 -15.234 1.00 0.00 C ATOM 187 CG GLN A1079 10.551 19.277 -16.570 1.00 0.00 C ATOM 188 CD GLN A1079 10.425 20.455 -17.509 1.00 0.00 C ATOM 189 OE1 GLN A1079 11.225 21.391 -17.471 1.00 0.00 O ATOM 190 NE2 GLN A1079 9.410 20.420 -18.355 1.00 0.00 N ATOM 0 H GLN A1079 8.971 19.428 -13.869 1.00 0.00 H new ATOM 0 HA GLN A1079 11.259 17.644 -14.464 1.00 0.00 H new ATOM 0 HB2 GLN A1079 10.811 20.615 -14.919 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.256 19.724 -15.354 1.00 0.00 H new ATOM 0 HG2 GLN A1079 11.152 18.503 -17.047 1.00 0.00 H new ATOM 0 HG3 GLN A1079 9.562 18.851 -16.398 1.00 0.00 H new ATOM 0 HE21 GLN A1079 8.771 19.625 -18.352 1.00 0.00 H new ATOM 0 HE22 GLN A1079 9.266 21.188 -19.010 1.00 0.00 H new ATOM 199 N ALA A1080 12.077 17.975 -12.170 1.00 0.00 N ATOM 200 CA ALA A1080 12.750 18.160 -10.895 1.00 0.00 C ATOM 201 C ALA A1080 13.980 19.044 -11.038 1.00 0.00 C ATOM 202 O ALA A1080 14.966 18.668 -11.679 1.00 0.00 O ATOM 203 CB ALA A1080 13.138 16.818 -10.306 1.00 0.00 C ATOM 0 H ALA A1080 12.054 17.008 -12.494 1.00 0.00 H new ATOM 0 HA ALA A1080 12.054 18.659 -10.221 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.641 16.971 -9.351 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.243 16.216 -10.152 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.810 16.300 -10.991 1.00 0.00 H new ATOM 209 N ASP A1081 13.904 20.223 -10.445 1.00 0.00 N ATOM 210 CA ASP A1081 15.029 21.138 -10.407 1.00 0.00 C ATOM 211 C ASP A1081 16.029 20.664 -9.368 1.00 0.00 C ATOM 212 O ASP A1081 17.240 20.797 -9.539 1.00 0.00 O ATOM 213 CB ASP A1081 14.553 22.552 -10.075 1.00 0.00 C ATOM 214 CG ASP A1081 15.699 23.531 -9.921 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.176 24.062 -10.944 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.119 23.785 -8.772 1.00 0.00 O ATOM 0 H ASP A1081 13.066 20.570 -9.979 1.00 0.00 H new ATOM 0 HA ASP A1081 15.508 21.158 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A1081 13.885 22.901 -10.863 1.00 0.00 H new ATOM 0 HB3 ASP A1081 13.973 22.529 -9.152 1.00 0.00 H new ATOM 221 N ASN A1082 15.502 20.086 -8.300 1.00 0.00 N ATOM 222 CA ASN A1082 16.323 19.565 -7.222 1.00 0.00 C ATOM 223 C ASN A1082 16.318 18.041 -7.268 1.00 0.00 C ATOM 224 O ASN A1082 15.318 17.428 -7.635 1.00 0.00 O ATOM 225 CB ASN A1082 15.782 20.073 -5.884 1.00 0.00 C ATOM 226 CG ASN A1082 16.527 19.516 -4.690 1.00 0.00 C ATOM 227 OD1 ASN A1082 17.718 19.216 -4.763 1.00 0.00 O ATOM 228 ND2 ASN A1082 15.829 19.371 -3.581 1.00 0.00 N ATOM 0 H ASN A1082 14.499 19.966 -8.158 1.00 0.00 H new ATOM 0 HA ASN A1082 17.351 19.909 -7.335 1.00 0.00 H new ATOM 0 HB2 ASN A1082 15.840 21.161 -5.865 1.00 0.00 H new ATOM 0 HB3 ASN A1082 14.728 19.809 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A1082 16.275 18.998 -2.743 1.00 0.00 H new ATOM 0 HD22 ASN A1082 14.843 19.632 -3.561 1.00 0.00 H new ATOM 235 N ASP A1083 17.441 17.434 -6.901 1.00 0.00 N ATOM 236 CA ASP A1083 17.611 15.988 -7.025 1.00 0.00 C ATOM 237 C ASP A1083 16.836 15.239 -5.939 1.00 0.00 C ATOM 238 O ASP A1083 16.676 14.019 -6.003 1.00 0.00 O ATOM 239 CB ASP A1083 19.097 15.620 -6.974 1.00 0.00 C ATOM 240 CG ASP A1083 19.351 14.179 -7.368 1.00 0.00 C ATOM 241 OD1 ASP A1083 19.040 13.813 -8.520 1.00 0.00 O ATOM 242 OD2 ASP A1083 19.880 13.413 -6.538 1.00 0.00 O ATOM 0 H ASP A1083 18.250 17.921 -6.514 1.00 0.00 H new ATOM 0 HA ASP A1083 17.206 15.685 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.654 16.279 -7.640 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.476 15.790 -5.966 1.00 0.00 H new ATOM 247 N ASP A1084 16.364 15.973 -4.937 1.00 0.00 N ATOM 248 CA ASP A1084 15.488 15.397 -3.915 1.00 0.00 C ATOM 249 C ASP A1084 14.092 15.204 -4.493 1.00 0.00 C ATOM 250 O ASP A1084 13.300 14.396 -4.003 1.00 0.00 O ATOM 251 CB ASP A1084 15.416 16.301 -2.678 1.00 0.00 C ATOM 252 CG ASP A1084 16.751 16.456 -1.975 1.00 0.00 C ATOM 253 OD1 ASP A1084 17.529 17.359 -2.355 1.00 0.00 O ATOM 254 OD2 ASP A1084 17.026 15.689 -1.033 1.00 0.00 O ATOM 0 H ASP A1084 16.570 16.964 -4.808 1.00 0.00 H new ATOM 0 HA ASP A1084 15.899 14.434 -3.610 1.00 0.00 H new ATOM 0 HB2 ASP A1084 15.052 17.285 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.689 15.891 -1.977 1.00 0.00 H new ATOM 259 N GLU A1085 13.808 15.956 -5.548 1.00 0.00 N ATOM 260 CA GLU A1085 12.538 15.870 -6.247 1.00 0.00 C ATOM 261 C GLU A1085 12.617 14.782 -7.308 1.00 0.00 C ATOM 262 O GLU A1085 13.703 14.445 -7.785 1.00 0.00 O ATOM 263 CB GLU A1085 12.214 17.209 -6.913 1.00 0.00 C ATOM 264 CG GLU A1085 12.247 18.389 -5.962 1.00 0.00 C ATOM 265 CD GLU A1085 12.113 19.719 -6.677 1.00 0.00 C ATOM 266 OE1 GLU A1085 12.621 19.848 -7.815 1.00 0.00 O ATOM 267 OE2 GLU A1085 11.519 20.651 -6.097 1.00 0.00 O ATOM 0 H GLU A1085 14.453 16.642 -5.941 1.00 0.00 H new ATOM 0 HA GLU A1085 11.752 15.629 -5.531 1.00 0.00 H new ATOM 0 HB2 GLU A1085 12.926 17.384 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.225 17.148 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.440 18.288 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A1085 13.183 18.374 -5.403 1.00 0.00 H new ATOM 274 N LEU A1086 11.478 14.226 -7.675 1.00 0.00 N ATOM 275 CA LEU A1086 11.447 13.205 -8.708 1.00 0.00 C ATOM 276 C LEU A1086 11.140 13.820 -10.068 1.00 0.00 C ATOM 277 O LEU A1086 10.344 14.750 -10.179 1.00 0.00 O ATOM 278 CB LEU A1086 10.422 12.116 -8.383 1.00 0.00 C ATOM 279 CG LEU A1086 10.310 11.021 -9.444 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.650 10.331 -9.638 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.245 10.013 -9.065 1.00 0.00 C ATOM 0 H LEU A1086 10.568 14.461 -7.278 1.00 0.00 H new ATOM 0 HA LEU A1086 12.435 12.746 -8.744 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.687 11.657 -7.430 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.445 12.581 -8.252 1.00 0.00 H new ATOM 0 HG LEU A1086 10.019 11.486 -10.386 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.553 9.554 -10.397 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.392 11.062 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.967 9.882 -8.697 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.183 9.243 -9.834 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.503 9.553 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.282 10.517 -8.977 1.00 0.00 H new ATOM 293 N THR A1087 11.782 13.292 -11.096 1.00 0.00 N ATOM 294 CA THR A1087 11.559 13.750 -12.454 1.00 0.00 C ATOM 295 C THR A1087 10.766 12.702 -13.219 1.00 0.00 C ATOM 296 O THR A1087 11.172 11.538 -13.290 1.00 0.00 O ATOM 297 CB THR A1087 12.887 14.009 -13.180 1.00 0.00 C ATOM 298 OG1 THR A1087 13.853 14.512 -12.248 1.00 0.00 O ATOM 299 CG2 THR A1087 12.698 15.011 -14.310 1.00 0.00 C ATOM 0 H THR A1087 12.466 12.540 -11.013 1.00 0.00 H new ATOM 0 HA THR A1087 11.002 14.686 -12.410 1.00 0.00 H new ATOM 0 HB THR A1087 13.239 13.069 -13.605 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.701 14.675 -12.712 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.652 15.179 -14.810 1.00 0.00 H new ATOM 0 HG22 THR A1087 11.976 14.619 -15.027 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.330 15.953 -13.903 1.00 0.00 H new ATOM 307 N PHE A1088 9.637 13.108 -13.769 1.00 0.00 N ATOM 308 CA PHE A1088 8.769 12.192 -14.488 1.00 0.00 C ATOM 309 C PHE A1088 8.007 12.923 -15.584 1.00 0.00 C ATOM 310 O PHE A1088 7.844 14.145 -15.528 1.00 0.00 O ATOM 311 CB PHE A1088 7.778 11.529 -13.522 1.00 0.00 C ATOM 312 CG PHE A1088 6.973 12.503 -12.702 1.00 0.00 C ATOM 313 CD1 PHE A1088 5.960 13.252 -13.282 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.230 12.667 -11.351 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.224 14.146 -12.535 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.492 13.558 -10.596 1.00 0.00 C ATOM 317 CZ PHE A1088 5.488 14.300 -11.189 1.00 0.00 C ATOM 0 H PHE A1088 9.298 14.069 -13.732 1.00 0.00 H new ATOM 0 HA PHE A1088 9.391 11.423 -14.946 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.095 10.901 -14.094 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.328 10.872 -12.849 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.745 13.133 -14.334 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.016 12.092 -10.883 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.442 14.725 -13.002 1.00 0.00 H new ATOM 0 HE2 PHE A1088 6.700 13.675 -9.543 1.00 0.00 H new ATOM 0 HZ PHE A1088 4.912 14.999 -10.601 1.00 0.00 H new ATOM 327 N ILE A1089 7.539 12.179 -16.574 1.00 0.00 N ATOM 328 CA ILE A1089 6.667 12.743 -17.593 1.00 0.00 C ATOM 329 C ILE A1089 5.315 12.043 -17.552 1.00 0.00 C ATOM 330 O ILE A1089 5.177 10.986 -16.917 1.00 0.00 O ATOM 331 CB ILE A1089 7.258 12.665 -19.028 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.210 11.235 -19.598 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.684 13.197 -19.039 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.120 10.245 -18.907 1.00 0.00 C ATOM 0 H ILE A1089 7.747 11.188 -16.694 1.00 0.00 H new ATOM 0 HA ILE A1089 6.558 13.803 -17.361 1.00 0.00 H new ATOM 0 HB ILE A1089 6.638 13.289 -19.672 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.185 10.869 -19.537 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.473 11.272 -20.655 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.087 13.137 -20.050 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.687 14.236 -18.708 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.300 12.600 -18.367 1.00 0.00 H new ATOM 0 HD11 ILE A1089 8.017 9.267 -19.377 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.154 10.581 -18.990 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.846 10.172 -17.855 1.00 0.00 H new ATOM 346 N GLU A1090 4.321 12.631 -18.216 1.00 0.00 N ATOM 347 CA GLU A1090 2.960 12.106 -18.190 1.00 0.00 C ATOM 348 C GLU A1090 2.932 10.647 -18.622 1.00 0.00 C ATOM 349 O GLU A1090 3.260 10.320 -19.769 1.00 0.00 O ATOM 350 CB GLU A1090 2.026 12.908 -19.103 1.00 0.00 C ATOM 351 CG GLU A1090 2.197 14.415 -19.008 1.00 0.00 C ATOM 352 CD GLU A1090 3.100 14.964 -20.093 1.00 0.00 C ATOM 353 OE1 GLU A1090 4.252 14.499 -20.205 1.00 0.00 O ATOM 354 OE2 GLU A1090 2.662 15.872 -20.832 1.00 0.00 O ATOM 0 H GLU A1090 4.435 13.473 -18.780 1.00 0.00 H new ATOM 0 HA GLU A1090 2.610 12.193 -17.161 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.194 12.600 -20.135 1.00 0.00 H new ATOM 0 HB3 GLU A1090 0.994 12.656 -18.859 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.220 14.894 -19.076 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.610 14.670 -18.032 1.00 0.00 H new ATOM 361 N GLY A1091 2.560 9.777 -17.699 1.00 0.00 N ATOM 362 CA GLY A1091 2.382 8.382 -18.034 1.00 0.00 C ATOM 363 C GLY A1091 3.299 7.459 -17.265 1.00 0.00 C ATOM 364 O GLY A1091 3.333 6.256 -17.530 1.00 0.00 O ATOM 0 H GLY A1091 2.378 10.012 -16.723 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.347 8.099 -17.840 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.555 8.247 -19.102 1.00 0.00 H new ATOM 368 N GLU A1092 4.045 8.000 -16.315 1.00 0.00 N ATOM 369 CA GLU A1092 4.854 7.160 -15.444 1.00 0.00 C ATOM 370 C GLU A1092 4.093 6.875 -14.158 1.00 0.00 C ATOM 371 O GLU A1092 3.539 7.782 -13.536 1.00 0.00 O ATOM 372 CB GLU A1092 6.211 7.805 -15.138 1.00 0.00 C ATOM 373 CG GLU A1092 7.127 7.886 -16.351 1.00 0.00 C ATOM 374 CD GLU A1092 8.554 8.270 -15.997 1.00 0.00 C ATOM 375 OE1 GLU A1092 8.830 9.476 -15.852 1.00 0.00 O ATOM 376 OE2 GLU A1092 9.409 7.361 -15.892 1.00 0.00 O ATOM 0 H GLU A1092 4.108 9.001 -16.128 1.00 0.00 H new ATOM 0 HA GLU A1092 5.052 6.221 -15.961 1.00 0.00 H new ATOM 0 HB2 GLU A1092 6.048 8.809 -14.747 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.708 7.234 -14.354 1.00 0.00 H new ATOM 0 HG2 GLU A1092 7.132 6.922 -16.860 1.00 0.00 H new ATOM 0 HG3 GLU A1092 6.725 8.615 -17.054 1.00 0.00 H new ATOM 383 N VAL A1093 4.038 5.611 -13.779 1.00 0.00 N ATOM 384 CA VAL A1093 3.349 5.216 -12.569 1.00 0.00 C ATOM 385 C VAL A1093 4.319 5.250 -11.397 1.00 0.00 C ATOM 386 O VAL A1093 5.439 4.754 -11.492 1.00 0.00 O ATOM 387 CB VAL A1093 2.734 3.807 -12.703 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.085 3.359 -11.399 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.727 3.769 -13.844 1.00 0.00 C ATOM 0 H VAL A1093 4.464 4.841 -14.294 1.00 0.00 H new ATOM 0 HA VAL A1093 2.535 5.920 -12.395 1.00 0.00 H new ATOM 0 HB VAL A1093 3.541 3.111 -12.929 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.661 2.363 -11.527 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.835 3.336 -10.609 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.294 4.058 -11.128 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.304 2.767 -13.923 1.00 0.00 H new ATOM 0 HG22 VAL A1093 0.929 4.485 -13.649 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.226 4.027 -14.778 1.00 0.00 H new ATOM 399 N ILE A1094 3.885 5.849 -10.310 1.00 0.00 N ATOM 400 CA ILE A1094 4.708 5.983 -9.125 1.00 0.00 C ATOM 401 C ILE A1094 4.061 5.247 -7.966 1.00 0.00 C ATOM 402 O ILE A1094 2.867 5.395 -7.719 1.00 0.00 O ATOM 403 CB ILE A1094 4.894 7.460 -8.709 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.446 8.298 -9.859 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.812 7.555 -7.500 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.629 9.758 -9.502 1.00 0.00 C ATOM 0 H ILE A1094 2.954 6.257 -10.221 1.00 0.00 H new ATOM 0 HA ILE A1094 5.684 5.561 -9.365 1.00 0.00 H new ATOM 0 HB ILE A1094 3.915 7.859 -8.445 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.405 7.885 -10.173 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.771 8.221 -10.712 1.00 0.00 H new ATOM 0 HG21 ILE A1094 5.935 8.601 -7.217 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.376 7.003 -6.668 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.785 7.130 -7.747 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.024 10.296 -10.363 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.668 10.186 -9.216 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.327 9.844 -8.669 1.00 0.00 H new ATOM 418 N ILE A1095 4.835 4.455 -7.262 1.00 0.00 N ATOM 419 CA ILE A1095 4.352 3.848 -6.037 1.00 0.00 C ATOM 420 C ILE A1095 4.735 4.728 -4.864 1.00 0.00 C ATOM 421 O ILE A1095 5.920 4.976 -4.629 1.00 0.00 O ATOM 422 CB ILE A1095 4.893 2.419 -5.822 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.317 1.474 -6.880 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.553 1.922 -4.419 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.666 0.023 -6.646 1.00 0.00 C ATOM 0 H ILE A1095 5.795 4.215 -7.511 1.00 0.00 H new ATOM 0 HA ILE A1095 3.268 3.763 -6.116 1.00 0.00 H new ATOM 0 HB ILE A1095 5.978 2.438 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.232 1.580 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A1095 4.684 1.774 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.943 0.913 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A1095 5.002 2.585 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.471 1.913 -4.288 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.225 -0.589 -7.433 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.749 -0.097 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.276 -0.294 -5.679 1.00 0.00 H new ATOM 437 N VAL A1096 3.729 5.225 -4.163 1.00 0.00 N ATOM 438 CA VAL A1096 3.947 6.086 -3.024 1.00 0.00 C ATOM 439 C VAL A1096 4.518 5.285 -1.866 1.00 0.00 C ATOM 440 O VAL A1096 3.828 4.463 -1.265 1.00 0.00 O ATOM 441 CB VAL A1096 2.638 6.757 -2.582 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.894 7.738 -1.452 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.965 7.446 -3.758 1.00 0.00 C ATOM 0 H VAL A1096 2.747 5.042 -4.369 1.00 0.00 H new ATOM 0 HA VAL A1096 4.655 6.861 -3.319 1.00 0.00 H new ATOM 0 HB VAL A1096 1.964 5.984 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.954 8.203 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.324 7.209 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.588 8.508 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A1096 1.040 7.915 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.632 8.207 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.741 6.711 -4.531 1.00 0.00 H new ATOM 453 N THR A1097 5.779 5.525 -1.570 1.00 0.00 N ATOM 454 CA THR A1097 6.469 4.805 -0.520 1.00 0.00 C ATOM 455 C THR A1097 6.457 5.621 0.772 1.00 0.00 C ATOM 456 O THR A1097 6.901 5.159 1.825 1.00 0.00 O ATOM 457 CB THR A1097 7.920 4.486 -0.943 1.00 0.00 C ATOM 458 OG1 THR A1097 8.628 5.702 -1.221 1.00 0.00 O ATOM 459 CG2 THR A1097 7.941 3.597 -2.184 1.00 0.00 C ATOM 0 H THR A1097 6.352 6.221 -2.048 1.00 0.00 H new ATOM 0 HA THR A1097 5.949 3.863 -0.345 1.00 0.00 H new ATOM 0 HB THR A1097 8.404 3.957 -0.122 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.547 5.492 -1.487 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.973 3.386 -2.463 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.424 2.661 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.440 4.108 -3.006 1.00 0.00 H new ATOM 467 N GLY A1098 5.943 6.845 0.674 1.00 0.00 N ATOM 468 CA GLY A1098 5.807 7.706 1.830 1.00 0.00 C ATOM 469 C GLY A1098 5.071 8.989 1.496 1.00 0.00 C ATOM 470 O GLY A1098 4.876 9.306 0.329 1.00 0.00 O ATOM 0 H GLY A1098 5.615 7.257 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A1098 5.272 7.175 2.617 1.00 0.00 H new ATOM 0 HA3 GLY A1098 6.795 7.946 2.222 1.00 0.00 H new ATOM 474 N GLU A1099 4.670 9.729 2.515 1.00 0.00 N ATOM 475 CA GLU A1099 3.923 10.967 2.324 1.00 0.00 C ATOM 476 C GLU A1099 4.449 12.047 3.258 1.00 0.00 C ATOM 477 O GLU A1099 4.391 11.906 4.482 1.00 0.00 O ATOM 478 CB GLU A1099 2.422 10.728 2.551 1.00 0.00 C ATOM 479 CG GLU A1099 1.747 10.029 1.378 1.00 0.00 C ATOM 480 CD GLU A1099 0.282 9.706 1.617 1.00 0.00 C ATOM 481 OE1 GLU A1099 -0.505 10.636 1.892 1.00 0.00 O ATOM 482 OE2 GLU A1099 -0.104 8.521 1.499 1.00 0.00 O ATOM 0 H GLU A1099 4.849 9.494 3.491 1.00 0.00 H new ATOM 0 HA GLU A1099 4.060 11.306 1.297 1.00 0.00 H new ATOM 0 HB2 GLU A1099 2.287 10.128 3.451 1.00 0.00 H new ATOM 0 HB3 GLU A1099 1.930 11.684 2.729 1.00 0.00 H new ATOM 0 HG2 GLU A1099 1.830 10.661 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.282 9.105 1.161 1.00 0.00 H new ATOM 489 N GLU A1100 4.970 13.120 2.676 1.00 0.00 N ATOM 490 CA GLU A1100 5.579 14.187 3.454 1.00 0.00 C ATOM 491 C GLU A1100 4.550 15.243 3.789 1.00 0.00 C ATOM 492 O GLU A1100 4.326 15.574 4.951 1.00 0.00 O ATOM 493 CB GLU A1100 6.739 14.834 2.691 1.00 0.00 C ATOM 494 CG GLU A1100 8.005 14.009 2.702 1.00 0.00 C ATOM 495 CD GLU A1100 8.570 13.834 4.098 1.00 0.00 C ATOM 496 OE1 GLU A1100 8.064 12.973 4.847 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.511 14.567 4.459 1.00 0.00 O ATOM 0 H GLU A1100 4.982 13.273 1.668 1.00 0.00 H new ATOM 0 HA GLU A1100 5.967 13.748 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.434 15.003 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A1100 6.948 15.811 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.800 13.029 2.271 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.752 14.487 2.068 1.00 0.00 H new ATOM 504 N ASP A1101 3.904 15.742 2.756 1.00 0.00 N ATOM 505 CA ASP A1101 2.981 16.850 2.898 1.00 0.00 C ATOM 506 C ASP A1101 1.659 16.498 2.227 1.00 0.00 C ATOM 507 O ASP A1101 1.424 15.340 1.887 1.00 0.00 O ATOM 508 CB ASP A1101 3.591 18.114 2.272 1.00 0.00 C ATOM 509 CG ASP A1101 2.969 19.404 2.779 1.00 0.00 C ATOM 510 OD1 ASP A1101 1.923 19.816 2.245 1.00 0.00 O ATOM 511 OD2 ASP A1101 3.539 20.018 3.707 1.00 0.00 O ATOM 0 H ASP A1101 4.002 15.395 1.802 1.00 0.00 H new ATOM 0 HA ASP A1101 2.795 17.043 3.954 1.00 0.00 H new ATOM 0 HB2 ASP A1101 4.661 18.131 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.475 18.065 1.189 1.00 0.00 H new ATOM 516 N GLN A1102 0.816 17.485 2.019 1.00 0.00 N ATOM 517 CA GLN A1102 -0.464 17.271 1.379 1.00 0.00 C ATOM 518 C GLN A1102 -0.274 17.152 -0.127 1.00 0.00 C ATOM 519 O GLN A1102 -0.931 16.351 -0.793 1.00 0.00 O ATOM 520 CB GLN A1102 -1.400 18.432 1.710 1.00 0.00 C ATOM 521 CG GLN A1102 -2.788 18.289 1.118 1.00 0.00 C ATOM 522 CD GLN A1102 -3.645 19.513 1.366 1.00 0.00 C ATOM 523 OE1 GLN A1102 -3.141 20.633 1.437 1.00 0.00 O ATOM 524 NE2 GLN A1102 -4.941 19.312 1.506 1.00 0.00 N ATOM 0 H GLN A1102 0.996 18.453 2.286 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.906 16.345 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -1.485 18.520 2.793 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -0.955 19.359 1.349 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -2.707 18.116 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -3.275 17.413 1.547 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -5.321 18.368 1.440 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -5.564 20.101 1.680 1.00 0.00 H new ATOM 533 N GLU A1103 0.660 17.935 -0.652 1.00 0.00 N ATOM 534 CA GLU A1103 0.914 17.972 -2.083 1.00 0.00 C ATOM 535 C GLU A1103 2.309 17.459 -2.398 1.00 0.00 C ATOM 536 O GLU A1103 2.804 17.612 -3.514 1.00 0.00 O ATOM 537 CB GLU A1103 0.742 19.392 -2.628 1.00 0.00 C ATOM 538 CG GLU A1103 1.338 20.464 -1.733 1.00 0.00 C ATOM 539 CD GLU A1103 1.385 21.826 -2.393 1.00 0.00 C ATOM 540 OE1 GLU A1103 0.535 22.104 -3.263 1.00 0.00 O ATOM 541 OE2 GLU A1103 2.283 22.623 -2.047 1.00 0.00 O ATOM 0 H GLU A1103 1.256 18.555 -0.103 1.00 0.00 H new ATOM 0 HA GLU A1103 0.187 17.321 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A1103 1.206 19.453 -3.612 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.321 19.594 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.753 20.531 -0.816 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.348 20.170 -1.446 1.00 0.00 H new ATOM 548 N TRP A1104 2.926 16.825 -1.416 1.00 0.00 N ATOM 549 CA TRP A1104 4.296 16.351 -1.559 1.00 0.00 C ATOM 550 C TRP A1104 4.458 14.964 -0.964 1.00 0.00 C ATOM 551 O TRP A1104 4.497 14.788 0.257 1.00 0.00 O ATOM 552 CB TRP A1104 5.272 17.330 -0.908 1.00 0.00 C ATOM 553 CG TRP A1104 5.353 18.627 -1.644 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.643 19.762 -1.385 1.00 0.00 C ATOM 555 CD2 TRP A1104 6.172 18.912 -2.780 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.972 20.737 -2.296 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.912 20.239 -3.161 1.00 0.00 C ATOM 558 CE3 TRP A1104 7.102 18.168 -3.510 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.552 20.841 -4.242 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.738 18.765 -4.582 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.459 20.092 -4.938 1.00 0.00 C ATOM 0 H TRP A1104 2.502 16.625 -0.510 1.00 0.00 H new ATOM 0 HA TRP A1104 4.523 16.290 -2.623 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.963 17.518 0.120 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.263 16.877 -0.865 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.929 19.878 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.580 21.678 -2.324 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.320 17.145 -3.242 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 6.339 21.863 -4.520 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.460 18.201 -5.154 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.972 20.532 -5.780 1.00 0.00 H new ATOM 572 N TRP A1105 4.538 13.979 -1.838 1.00 0.00 N ATOM 573 CA TRP A1105 4.680 12.597 -1.420 1.00 0.00 C ATOM 574 C TRP A1105 6.039 12.055 -1.833 1.00 0.00 C ATOM 575 O TRP A1105 6.754 12.679 -2.611 1.00 0.00 O ATOM 576 CB TRP A1105 3.564 11.739 -2.023 1.00 0.00 C ATOM 577 CG TRP A1105 2.195 12.065 -1.500 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.872 12.984 -0.542 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.962 11.463 -1.905 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.521 12.987 -0.327 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.064 12.063 -1.150 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.626 10.473 -2.832 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.399 11.704 -1.297 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.700 10.118 -2.976 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.698 10.732 -2.212 1.00 0.00 C ATOM 0 H TRP A1105 4.507 14.112 -2.849 1.00 0.00 H new ATOM 0 HA TRP A1105 4.603 12.556 -0.333 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.568 11.864 -3.106 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.778 10.689 -1.823 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.581 13.617 -0.029 1.00 0.00 H new ATOM 0 HE1 TRP A1105 0.029 13.582 0.339 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.391 9.994 -3.426 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.173 12.176 -0.710 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -0.971 9.354 -3.690 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.727 10.432 -2.347 1.00 0.00 H new ATOM 596 N ILE A1106 6.376 10.895 -1.305 1.00 0.00 N ATOM 597 CA ILE A1106 7.628 10.227 -1.606 1.00 0.00 C ATOM 598 C ILE A1106 7.323 8.889 -2.240 1.00 0.00 C ATOM 599 O ILE A1106 6.413 8.186 -1.806 1.00 0.00 O ATOM 600 CB ILE A1106 8.472 10.000 -0.335 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.842 11.331 0.307 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.732 9.201 -0.655 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.462 11.180 1.678 1.00 0.00 C ATOM 0 H ILE A1106 5.784 10.385 -0.649 1.00 0.00 H new ATOM 0 HA ILE A1106 8.201 10.860 -2.284 1.00 0.00 H new ATOM 0 HB ILE A1106 7.871 9.427 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.539 11.859 -0.344 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.948 11.950 0.386 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.311 9.054 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.453 8.232 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.334 9.746 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.702 12.165 2.079 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.758 10.679 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.374 10.587 1.602 1.00 0.00 H new ATOM 615 N GLY A1107 8.052 8.543 -3.275 1.00 0.00 N ATOM 616 CA GLY A1107 7.812 7.287 -3.930 1.00 0.00 C ATOM 617 C GLY A1107 8.851 6.975 -4.969 1.00 0.00 C ATOM 618 O GLY A1107 9.876 7.646 -5.050 1.00 0.00 O ATOM 0 H GLY A1107 8.804 9.106 -3.674 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.795 6.490 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.828 7.307 -4.399 1.00 0.00 H new ATOM 622 N HIS A1108 8.565 5.967 -5.767 1.00 0.00 N ATOM 623 CA HIS A1108 9.477 5.516 -6.806 1.00 0.00 C ATOM 624 C HIS A1108 8.706 5.260 -8.103 1.00 0.00 C ATOM 625 O HIS A1108 7.514 4.951 -8.072 1.00 0.00 O ATOM 626 CB HIS A1108 10.237 4.239 -6.366 1.00 0.00 C ATOM 627 CG HIS A1108 9.406 2.986 -6.192 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.601 2.095 -5.161 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.425 2.449 -6.954 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.783 1.067 -5.305 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.057 1.259 -6.388 1.00 0.00 N ATOM 0 H HIS A1108 7.696 5.436 -5.716 1.00 0.00 H new ATOM 0 HA HIS A1108 10.214 6.300 -6.980 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.014 4.034 -7.102 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.740 4.449 -5.422 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.273 2.210 -4.403 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.007 2.883 -7.850 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.720 0.213 -4.646 1.00 0.00 H new ATOM 640 N ILE A1109 9.379 5.392 -9.234 1.00 0.00 N ATOM 641 CA ILE A1109 8.786 5.060 -10.524 1.00 0.00 C ATOM 642 C ILE A1109 8.707 3.544 -10.691 1.00 0.00 C ATOM 643 O ILE A1109 9.662 2.830 -10.394 1.00 0.00 O ATOM 644 CB ILE A1109 9.610 5.658 -11.691 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.618 7.189 -11.623 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.066 5.195 -13.038 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.291 7.825 -11.975 1.00 0.00 C ATOM 0 H ILE A1109 10.341 5.728 -9.287 1.00 0.00 H new ATOM 0 HA ILE A1109 7.784 5.488 -10.549 1.00 0.00 H new ATOM 0 HB ILE A1109 10.635 5.299 -11.592 1.00 0.00 H new ATOM 0 HG12 ILE A1109 9.902 7.497 -10.617 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.383 7.569 -12.300 1.00 0.00 H new ATOM 0 HG21 ILE A1109 9.663 5.629 -13.840 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.116 4.108 -13.096 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.030 5.516 -13.142 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.377 8.909 -11.904 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.014 7.549 -12.992 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.525 7.476 -11.283 1.00 0.00 H new ATOM 659 N GLU A1110 7.561 3.055 -11.139 1.00 0.00 N ATOM 660 CA GLU A1110 7.395 1.640 -11.423 1.00 0.00 C ATOM 661 C GLU A1110 8.219 1.238 -12.636 1.00 0.00 C ATOM 662 O GLU A1110 8.233 1.943 -13.647 1.00 0.00 O ATOM 663 CB GLU A1110 5.927 1.302 -11.656 1.00 0.00 C ATOM 664 CG GLU A1110 5.228 0.879 -10.387 1.00 0.00 C ATOM 665 CD GLU A1110 5.978 -0.240 -9.690 1.00 0.00 C ATOM 666 OE1 GLU A1110 5.760 -1.419 -10.042 1.00 0.00 O ATOM 667 OE2 GLU A1110 6.810 0.054 -8.804 1.00 0.00 O ATOM 0 H GLU A1110 6.730 3.620 -11.314 1.00 0.00 H new ATOM 0 HA GLU A1110 7.747 1.080 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.419 2.170 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A1110 5.853 0.502 -12.393 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.140 1.733 -9.716 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.215 0.551 -10.620 1.00 0.00 H new ATOM 674 N GLY A1111 8.911 0.112 -12.532 1.00 0.00 N ATOM 675 CA GLY A1111 9.795 -0.322 -13.598 1.00 0.00 C ATOM 676 C GLY A1111 11.133 0.386 -13.537 1.00 0.00 C ATOM 677 O GLY A1111 12.117 -0.061 -14.123 1.00 0.00 O ATOM 0 H GLY A1111 8.876 -0.512 -11.726 1.00 0.00 H new ATOM 0 HA2 GLY A1111 9.949 -1.399 -13.528 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.325 -0.130 -14.562 1.00 0.00 H new ATOM 681 N GLN A1112 11.162 1.493 -12.810 1.00 0.00 N ATOM 682 CA GLN A1112 12.362 2.294 -12.652 1.00 0.00 C ATOM 683 C GLN A1112 12.518 2.703 -11.191 1.00 0.00 C ATOM 684 O GLN A1112 12.407 3.882 -10.857 1.00 0.00 O ATOM 685 CB GLN A1112 12.283 3.538 -13.543 1.00 0.00 C ATOM 686 CG GLN A1112 12.290 3.231 -15.035 1.00 0.00 C ATOM 687 CD GLN A1112 11.570 4.284 -15.858 1.00 0.00 C ATOM 688 OE1 GLN A1112 11.034 3.989 -16.925 1.00 0.00 O ATOM 689 NE2 GLN A1112 11.542 5.514 -15.365 1.00 0.00 N ATOM 0 H GLN A1112 10.351 1.860 -12.313 1.00 0.00 H new ATOM 0 HA GLN A1112 13.229 1.704 -12.951 1.00 0.00 H new ATOM 0 HB2 GLN A1112 11.375 4.090 -13.300 1.00 0.00 H new ATOM 0 HB3 GLN A1112 13.124 4.192 -13.313 1.00 0.00 H new ATOM 0 HG2 GLN A1112 13.321 3.150 -15.379 1.00 0.00 H new ATOM 0 HG3 GLN A1112 11.821 2.262 -15.204 1.00 0.00 H new ATOM 0 HE21 GLN A1112 11.999 5.718 -14.476 1.00 0.00 H new ATOM 0 HE22 GLN A1112 11.063 6.257 -15.874 1.00 0.00 H new ATOM 698 N PRO A1113 12.786 1.729 -10.299 1.00 0.00 N ATOM 699 CA PRO A1113 12.861 1.969 -8.852 1.00 0.00 C ATOM 700 C PRO A1113 14.067 2.821 -8.468 1.00 0.00 C ATOM 701 O PRO A1113 14.226 3.207 -7.310 1.00 0.00 O ATOM 702 CB PRO A1113 12.985 0.563 -8.246 1.00 0.00 C ATOM 703 CG PRO A1113 12.664 -0.381 -9.356 1.00 0.00 C ATOM 704 CD PRO A1113 13.048 0.322 -10.620 1.00 0.00 C ATOM 0 HA PRO A1113 11.992 2.520 -8.493 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.990 0.389 -7.861 1.00 0.00 H new ATOM 0 HB3 PRO A1113 12.297 0.434 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A1113 13.216 -1.315 -9.246 1.00 0.00 H new ATOM 0 HG3 PRO A1113 11.604 -0.635 -9.358 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.094 0.153 -10.876 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.454 -0.017 -11.469 1.00 0.00 H new ATOM 712 N GLU A1114 14.912 3.109 -9.447 1.00 0.00 N ATOM 713 CA GLU A1114 16.064 3.973 -9.240 1.00 0.00 C ATOM 714 C GLU A1114 15.639 5.436 -9.316 1.00 0.00 C ATOM 715 O GLU A1114 16.400 6.340 -8.977 1.00 0.00 O ATOM 716 CB GLU A1114 17.138 3.666 -10.283 1.00 0.00 C ATOM 717 CG GLU A1114 17.588 2.215 -10.266 1.00 0.00 C ATOM 718 CD GLU A1114 18.522 1.876 -11.405 1.00 0.00 C ATOM 719 OE1 GLU A1114 18.032 1.663 -12.533 1.00 0.00 O ATOM 720 OE2 GLU A1114 19.747 1.814 -11.178 1.00 0.00 O ATOM 0 H GLU A1114 14.820 2.754 -10.399 1.00 0.00 H new ATOM 0 HA GLU A1114 16.480 3.787 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A1114 16.754 3.909 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A1114 18.000 4.310 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A1114 18.086 2.005 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A1114 16.712 1.568 -10.316 1.00 0.00 H new ATOM 727 N ARG A1115 14.407 5.652 -9.762 1.00 0.00 N ATOM 728 CA ARG A1115 13.810 6.975 -9.774 1.00 0.00 C ATOM 729 C ARG A1115 12.884 7.134 -8.581 1.00 0.00 C ATOM 730 O ARG A1115 11.731 6.710 -8.632 1.00 0.00 O ATOM 731 CB ARG A1115 12.994 7.210 -11.046 1.00 0.00 C ATOM 732 CG ARG A1115 13.801 7.521 -12.289 1.00 0.00 C ATOM 733 CD ARG A1115 12.879 7.969 -13.417 1.00 0.00 C ATOM 734 NE ARG A1115 13.612 8.290 -14.640 1.00 0.00 N ATOM 735 CZ ARG A1115 13.099 8.968 -15.670 1.00 0.00 C ATOM 736 NH1 ARG A1115 11.837 9.382 -15.643 1.00 0.00 N ATOM 737 NH2 ARG A1115 13.855 9.222 -16.731 1.00 0.00 N ATOM 0 H ARG A1115 13.799 4.917 -10.123 1.00 0.00 H new ATOM 0 HA ARG A1115 14.623 7.700 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A1115 12.390 6.323 -11.238 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.303 8.034 -10.867 1.00 0.00 H new ATOM 0 HG2 ARG A1115 14.529 8.303 -12.073 1.00 0.00 H new ATOM 0 HG3 ARG A1115 14.362 6.639 -12.597 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.156 7.181 -13.626 1.00 0.00 H new ATOM 0 HD3 ARG A1115 12.314 8.844 -13.095 1.00 0.00 H new ATOM 0 HE ARG A1115 14.580 7.975 -14.712 1.00 0.00 H new ATOM 0 HH11 ARG A1115 11.252 9.183 -14.831 1.00 0.00 H new ATOM 0 HH12 ARG A1115 11.453 9.899 -16.434 1.00 0.00 H new ATOM 0 HH21 ARG A1115 14.822 8.900 -16.757 1.00 0.00 H new ATOM 0 HH22 ARG A1115 13.469 9.739 -17.521 1.00 0.00 H new ATOM 751 N LYS A1116 13.377 7.726 -7.509 1.00 0.00 N ATOM 752 CA LYS A1116 12.531 7.996 -6.357 1.00 0.00 C ATOM 753 C LYS A1116 12.641 9.452 -5.945 1.00 0.00 C ATOM 754 O LYS A1116 13.407 10.220 -6.535 1.00 0.00 O ATOM 755 CB LYS A1116 12.904 7.130 -5.156 1.00 0.00 C ATOM 756 CG LYS A1116 13.257 5.694 -5.478 1.00 0.00 C ATOM 757 CD LYS A1116 13.460 4.894 -4.200 1.00 0.00 C ATOM 758 CE LYS A1116 14.547 5.508 -3.328 1.00 0.00 C ATOM 759 NZ LYS A1116 14.660 4.825 -2.012 1.00 0.00 N ATOM 0 H LYS A1116 14.347 8.027 -7.410 1.00 0.00 H new ATOM 0 HA LYS A1116 11.510 7.761 -6.659 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.751 7.590 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A1116 12.070 7.133 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.463 5.243 -6.074 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.164 5.663 -6.081 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.524 4.852 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.728 3.868 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.503 5.452 -3.848 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.331 6.565 -3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 15.411 5.275 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 13.756 4.900 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.892 3.822 -2.160 1.00 0.00 H new ATOM 773 N GLY A1117 11.868 9.828 -4.938 1.00 0.00 N ATOM 774 CA GLY A1117 11.994 11.152 -4.365 1.00 0.00 C ATOM 775 C GLY A1117 10.652 11.750 -4.031 1.00 0.00 C ATOM 776 O GLY A1117 9.649 11.034 -3.984 1.00 0.00 O ATOM 0 H GLY A1117 11.155 9.240 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.603 11.100 -3.463 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.517 11.803 -5.066 1.00 0.00 H new ATOM 780 N VAL A1118 10.625 13.051 -3.788 1.00 0.00 N ATOM 781 CA VAL A1118 9.373 13.736 -3.527 1.00 0.00 C ATOM 782 C VAL A1118 8.748 14.213 -4.833 1.00 0.00 C ATOM 783 O VAL A1118 9.438 14.712 -5.726 1.00 0.00 O ATOM 784 CB VAL A1118 9.525 14.929 -2.549 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.942 14.444 -1.174 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.519 15.954 -3.068 1.00 0.00 C ATOM 0 H VAL A1118 11.451 13.649 -3.766 1.00 0.00 H new ATOM 0 HA VAL A1118 8.718 13.010 -3.045 1.00 0.00 H new ATOM 0 HB VAL A1118 8.552 15.414 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.043 15.297 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.186 13.763 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.897 13.924 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.599 16.776 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.495 15.484 -3.192 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.177 16.338 -4.029 1.00 0.00 H new ATOM 796 N PHE A1119 7.448 14.024 -4.948 1.00 0.00 N ATOM 797 CA PHE A1119 6.721 14.417 -6.138 1.00 0.00 C ATOM 798 C PHE A1119 5.434 15.138 -5.762 1.00 0.00 C ATOM 799 O PHE A1119 4.760 14.767 -4.797 1.00 0.00 O ATOM 800 CB PHE A1119 6.428 13.197 -7.026 1.00 0.00 C ATOM 801 CG PHE A1119 5.771 12.036 -6.326 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.532 11.118 -5.618 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.400 11.840 -6.402 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.942 10.039 -4.996 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.807 10.754 -5.782 1.00 0.00 C ATOM 806 CZ PHE A1119 4.584 9.853 -5.082 1.00 0.00 C ATOM 0 H PHE A1119 6.870 13.597 -4.224 1.00 0.00 H new ATOM 0 HA PHE A1119 7.343 15.106 -6.709 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.788 13.513 -7.850 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.365 12.853 -7.464 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.602 11.250 -5.553 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.789 12.542 -6.950 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.548 9.339 -4.440 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.738 10.612 -5.846 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.124 9.002 -4.602 1.00 0.00 H new ATOM 816 N PRO A1120 5.103 16.205 -6.503 1.00 0.00 N ATOM 817 CA PRO A1120 3.889 16.976 -6.270 1.00 0.00 C ATOM 818 C PRO A1120 2.633 16.192 -6.644 1.00 0.00 C ATOM 819 O PRO A1120 2.471 15.750 -7.783 1.00 0.00 O ATOM 820 CB PRO A1120 4.054 18.203 -7.166 1.00 0.00 C ATOM 821 CG PRO A1120 5.013 17.791 -8.229 1.00 0.00 C ATOM 822 CD PRO A1120 5.904 16.743 -7.618 1.00 0.00 C ATOM 0 HA PRO A1120 3.763 17.231 -5.218 1.00 0.00 H new ATOM 0 HB2 PRO A1120 3.099 18.507 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.435 19.054 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.484 17.394 -9.095 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.598 18.643 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.159 15.966 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.842 17.172 -7.266 1.00 0.00 H new ATOM 830 N VAL A1121 1.747 16.041 -5.671 1.00 0.00 N ATOM 831 CA VAL A1121 0.533 15.248 -5.826 1.00 0.00 C ATOM 832 C VAL A1121 -0.400 15.852 -6.875 1.00 0.00 C ATOM 833 O VAL A1121 -1.202 15.153 -7.493 1.00 0.00 O ATOM 834 CB VAL A1121 -0.205 15.129 -4.477 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.401 14.200 -4.573 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.747 14.648 -3.402 1.00 0.00 C ATOM 0 H VAL A1121 1.848 16.465 -4.749 1.00 0.00 H new ATOM 0 HA VAL A1121 0.829 14.255 -6.165 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.575 16.119 -4.212 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.895 14.142 -3.603 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.101 14.584 -5.315 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.067 13.206 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.215 14.568 -2.454 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.145 13.672 -3.679 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.568 15.358 -3.298 1.00 0.00 H new ATOM 846 N SER A1122 -0.264 17.149 -7.098 1.00 0.00 N ATOM 847 CA SER A1122 -1.109 17.858 -8.046 1.00 0.00 C ATOM 848 C SER A1122 -0.793 17.459 -9.492 1.00 0.00 C ATOM 849 O SER A1122 -1.477 17.880 -10.426 1.00 0.00 O ATOM 850 CB SER A1122 -0.907 19.356 -7.862 1.00 0.00 C ATOM 851 OG SER A1122 -0.878 19.689 -6.482 1.00 0.00 O ATOM 0 H SER A1122 0.428 17.736 -6.632 1.00 0.00 H new ATOM 0 HA SER A1122 -2.148 17.591 -7.853 1.00 0.00 H new ATOM 0 HB2 SER A1122 0.025 19.664 -8.336 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.711 19.901 -8.357 1.00 0.00 H new ATOM 0 HG SER A1122 -0.746 20.655 -6.381 1.00 0.00 H new ATOM 857 N PHE A1123 0.244 16.650 -9.669 1.00 0.00 N ATOM 858 CA PHE A1123 0.669 16.228 -10.999 1.00 0.00 C ATOM 859 C PHE A1123 0.421 14.738 -11.216 1.00 0.00 C ATOM 860 O PHE A1123 0.753 14.195 -12.272 1.00 0.00 O ATOM 861 CB PHE A1123 2.160 16.532 -11.202 1.00 0.00 C ATOM 862 CG PHE A1123 2.480 17.995 -11.361 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.349 18.874 -10.297 1.00 0.00 C ATOM 864 CD2 PHE A1123 2.906 18.488 -12.581 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.640 20.215 -10.451 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.197 19.827 -12.742 1.00 0.00 C ATOM 867 CZ PHE A1123 3.064 20.693 -11.675 1.00 0.00 C ATOM 0 H PHE A1123 0.807 16.272 -8.907 1.00 0.00 H new ATOM 0 HA PHE A1123 0.079 16.786 -11.726 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.717 16.141 -10.351 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.510 15.998 -12.085 1.00 0.00 H new ATOM 0 HD1 PHE A1123 2.016 18.506 -9.338 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.012 17.815 -13.419 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.536 20.890 -9.614 1.00 0.00 H new ATOM 0 HE2 PHE A1123 3.528 20.197 -13.701 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.291 21.742 -11.797 1.00 0.00 H new ATOM 877 N VAL A1124 -0.174 14.073 -10.233 1.00 0.00 N ATOM 878 CA VAL A1124 -0.330 12.626 -10.301 1.00 0.00 C ATOM 879 C VAL A1124 -1.784 12.190 -10.116 1.00 0.00 C ATOM 880 O VAL A1124 -2.579 12.863 -9.457 1.00 0.00 O ATOM 881 CB VAL A1124 0.565 11.906 -9.264 1.00 0.00 C ATOM 882 CG1 VAL A1124 2.037 12.213 -9.510 1.00 0.00 C ATOM 883 CG2 VAL A1124 0.165 12.279 -7.845 1.00 0.00 C ATOM 0 H VAL A1124 -0.552 14.506 -9.390 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.013 12.336 -11.303 1.00 0.00 H new ATOM 0 HB VAL A1124 0.418 10.833 -9.383 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.645 11.696 -8.768 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.317 11.876 -10.508 1.00 0.00 H new ATOM 0 HG13 VAL A1124 2.203 13.287 -9.430 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.810 11.759 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A1124 0.270 13.355 -7.709 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -0.872 11.990 -7.671 1.00 0.00 H new ATOM 893 N HIS A1125 -2.121 11.065 -10.731 1.00 0.00 N ATOM 894 CA HIS A1125 -3.454 10.489 -10.660 1.00 0.00 C ATOM 895 C HIS A1125 -3.415 9.236 -9.787 1.00 0.00 C ATOM 896 O HIS A1125 -2.819 8.241 -10.169 1.00 0.00 O ATOM 897 CB HIS A1125 -3.898 10.141 -12.082 1.00 0.00 C ATOM 898 CG HIS A1125 -5.360 9.905 -12.251 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.134 10.656 -13.103 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.179 8.968 -11.729 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.359 10.188 -13.105 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.419 9.161 -12.278 1.00 0.00 N ATOM 0 H HIS A1125 -1.470 10.522 -11.298 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.159 11.194 -10.220 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.598 10.950 -12.747 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.363 9.248 -12.404 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -5.907 8.208 -11.012 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.182 10.578 -13.686 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.250 8.604 -12.081 1.00 0.00 H new ATOM 911 N ILE A1126 -4.038 9.291 -8.624 1.00 0.00 N ATOM 912 CA ILE A1126 -3.934 8.208 -7.645 1.00 0.00 C ATOM 913 C ILE A1126 -4.682 6.946 -8.091 1.00 0.00 C ATOM 914 O ILE A1126 -5.730 7.026 -8.733 1.00 0.00 O ATOM 915 CB ILE A1126 -4.465 8.668 -6.273 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.772 9.970 -5.867 1.00 0.00 C ATOM 917 CG2 ILE A1126 -4.246 7.588 -5.215 1.00 0.00 C ATOM 918 CD1 ILE A1126 -4.243 10.516 -4.546 1.00 0.00 C ATOM 0 H ILE A1126 -4.623 10.072 -8.328 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.877 7.956 -7.563 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.538 8.844 -6.350 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.697 9.799 -5.818 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.941 10.719 -6.641 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.629 7.936 -4.255 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.772 6.680 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -3.180 7.377 -5.126 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.709 11.439 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -5.313 10.719 -4.597 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -4.049 9.786 -3.760 1.00 0.00 H new ATOM 930 N LEU A1127 -4.119 5.784 -7.756 1.00 0.00 N ATOM 931 CA LEU A1127 -4.728 4.496 -8.077 1.00 0.00 C ATOM 932 C LEU A1127 -4.988 3.709 -6.799 1.00 0.00 C ATOM 933 O LEU A1127 -4.130 2.942 -6.356 1.00 0.00 O ATOM 934 CB LEU A1127 -3.810 3.646 -8.969 1.00 0.00 C ATOM 935 CG LEU A1127 -2.757 4.406 -9.771 1.00 0.00 C ATOM 936 CD1 LEU A1127 -1.809 3.430 -10.451 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.416 5.301 -10.809 1.00 0.00 C ATOM 0 H LEU A1127 -3.232 5.711 -7.257 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.659 4.703 -8.605 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.300 2.917 -8.339 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.433 3.086 -9.666 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.188 5.033 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.063 3.984 -11.020 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.311 2.821 -9.697 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -2.373 2.785 -11.125 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -2.648 5.834 -11.370 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.007 4.691 -11.492 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.065 6.020 -10.310 1.00 0.00 H new ATOM 949 N SER A1128 -6.151 3.891 -6.201 1.00 0.00 N ATOM 950 CA SER A1128 -6.533 3.087 -5.050 1.00 0.00 C ATOM 951 C SER A1128 -7.244 1.813 -5.511 1.00 0.00 C ATOM 952 O SER A1128 -8.244 1.391 -4.933 1.00 0.00 O ATOM 953 CB SER A1128 -7.412 3.906 -4.103 1.00 0.00 C ATOM 954 OG SER A1128 -8.162 4.880 -4.813 1.00 0.00 O ATOM 0 H SER A1128 -6.844 4.582 -6.489 1.00 0.00 H new ATOM 0 HA SER A1128 -5.637 2.792 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A1128 -8.089 3.242 -3.566 1.00 0.00 H new ATOM 0 HB3 SER A1128 -6.788 4.397 -3.356 1.00 0.00 H new ATOM 0 HG SER A1128 -8.716 5.388 -4.185 1.00 0.00 H new ATOM 960 N ASP A1129 -6.703 1.212 -6.565 1.00 0.00 N ATOM 961 CA ASP A1129 -7.277 0.008 -7.155 1.00 0.00 C ATOM 962 C ASP A1129 -6.546 -1.238 -6.662 1.00 0.00 C ATOM 963 O ASP A1129 -5.421 -1.503 -7.141 1.00 0.00 O ATOM 964 CB ASP A1129 -7.214 0.092 -8.684 1.00 0.00 C ATOM 965 CG ASP A1129 -7.826 -1.116 -9.365 1.00 0.00 C ATOM 966 OD1 ASP A1129 -9.042 -1.342 -9.206 1.00 0.00 O ATOM 967 OD2 ASP A1129 -7.094 -1.843 -10.072 1.00 0.00 O ATOM 968 OXT ASP A1129 -7.092 -1.945 -5.794 1.00 0.00 O ATOM 0 H ASP A1129 -5.859 1.543 -7.032 1.00 0.00 H new ATOM 0 HA ASP A1129 -8.320 -0.065 -6.847 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -7.733 0.992 -9.015 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -6.174 0.191 -8.995 1.00 0.00 H new TER 973 ASP A1129