USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=9 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+ 147:sc= -0.356 (180deg=-1.62!) USER MOD Single : A1074 THR OG1 : rot 135:sc= 1.96 USER MOD Single : A1076 TYR OH : rot 180:sc= 0 USER MOD Single : A1078 CYS SG : rot -104:sc= 0.393 USER MOD Single : A1079 GLN : amide:sc= 0.486 X(o=0.49,f=0) USER MOD Single : A1082 ASN : amide:sc= 1.17 K(o=1.2,f=-0.072) USER MOD Single : A1087 THR OG1 : rot 180:sc= -0.643 USER MOD Single : A1097 THR OG1 : rot -141:sc= -0.491 USER MOD Single : A1102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1108 HIS : no HE2:sc= -2.84 K(o=-2.8,f=-3.9!) USER MOD Single : A1112 GLN : amide:sc= 0.899 K(o=0.9,f=-6.3!) USER MOD Single : A1116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1122 SER OG : rot 180:sc= 0.00191 USER MOD Single : A1125 HIS : no HD1:sc= 0 K(o=0,f=-0.88) USER MOD Single : A1128 SER OG : rot 180:sc= 0.0141 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A1069 0.243 -0.019 -0.183 1.00 0.00 N ATOM 2 CA VAL A1069 1.105 0.509 -1.263 1.00 0.00 C ATOM 3 C VAL A1069 0.271 1.198 -2.336 1.00 0.00 C ATOM 4 O VAL A1069 -0.289 0.559 -3.227 1.00 0.00 O ATOM 5 CB VAL A1069 1.982 -0.596 -1.893 1.00 0.00 C ATOM 6 CG1 VAL A1069 3.124 -0.955 -0.961 1.00 0.00 C ATOM 7 CG2 VAL A1069 1.162 -1.839 -2.212 1.00 0.00 C ATOM 0 HA VAL A1069 1.771 1.243 -0.811 1.00 0.00 H new ATOM 0 HB VAL A1069 2.388 -0.208 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A1069 3.734 -1.735 -1.417 1.00 0.00 H new ATOM 0 HG12 VAL A1069 3.738 -0.072 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A1069 2.721 -1.316 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A1069 1.808 -2.598 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A1069 0.720 -2.228 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A1069 0.370 -1.582 -2.916 1.00 0.00 H new ATOM 19 N ARG A1070 0.185 2.514 -2.234 1.00 0.00 N ATOM 20 CA ARG A1070 -0.619 3.304 -3.148 1.00 0.00 C ATOM 21 C ARG A1070 0.186 3.668 -4.392 1.00 0.00 C ATOM 22 O ARG A1070 1.403 3.813 -4.328 1.00 0.00 O ATOM 23 CB ARG A1070 -1.094 4.567 -2.435 1.00 0.00 C ATOM 24 CG ARG A1070 -2.091 5.395 -3.224 1.00 0.00 C ATOM 25 CD ARG A1070 -2.451 6.660 -2.469 1.00 0.00 C ATOM 26 NE ARG A1070 -3.006 6.369 -1.144 1.00 0.00 N ATOM 27 CZ ARG A1070 -2.782 7.115 -0.061 1.00 0.00 C ATOM 28 NH1 ARG A1070 -2.038 8.206 -0.142 1.00 0.00 N ATOM 29 NH2 ARG A1070 -3.304 6.768 1.108 1.00 0.00 N ATOM 0 H ARG A1070 0.667 3.060 -1.520 1.00 0.00 H new ATOM 0 HA ARG A1070 -1.483 2.719 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A1070 -1.546 4.285 -1.484 1.00 0.00 H new ATOM 0 HB3 ARG A1070 -0.228 5.187 -2.204 1.00 0.00 H new ATOM 0 HG2 ARG A1070 -1.670 5.653 -4.196 1.00 0.00 H new ATOM 0 HG3 ARG A1070 -2.991 4.809 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A1070 -1.563 7.283 -2.361 1.00 0.00 H new ATOM 0 HD3 ARG A1070 -3.175 7.234 -3.047 1.00 0.00 H new ATOM 0 HE ARG A1070 -3.600 5.546 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A1070 -1.632 8.481 -1.036 1.00 0.00 H new ATOM 0 HH12 ARG A1070 -1.871 8.772 0.690 1.00 0.00 H new ATOM 0 HH21 ARG A1070 -3.879 5.928 1.181 1.00 0.00 H new ATOM 0 HH22 ARG A1070 -3.131 7.341 1.934 1.00 0.00 H new ATOM 43 N ARG A1071 -0.492 3.808 -5.518 1.00 0.00 N ATOM 44 CA ARG A1071 0.153 4.211 -6.752 1.00 0.00 C ATOM 45 C ARG A1071 -0.453 5.507 -7.253 1.00 0.00 C ATOM 46 O ARG A1071 -1.604 5.828 -6.954 1.00 0.00 O ATOM 47 CB ARG A1071 0.006 3.164 -7.861 1.00 0.00 C ATOM 48 CG ARG A1071 0.641 1.809 -7.578 1.00 0.00 C ATOM 49 CD ARG A1071 -0.314 0.898 -6.830 1.00 0.00 C ATOM 50 NE ARG A1071 0.082 -0.510 -6.902 1.00 0.00 N ATOM 51 CZ ARG A1071 -0.654 -1.518 -6.422 1.00 0.00 C ATOM 52 NH1 ARG A1071 -1.812 -1.273 -5.823 1.00 0.00 N ATOM 53 NH2 ARG A1071 -0.246 -2.770 -6.561 1.00 0.00 N ATOM 0 H ARG A1071 -1.496 3.647 -5.601 1.00 0.00 H new ATOM 0 HA ARG A1071 1.212 4.331 -6.523 1.00 0.00 H new ATOM 0 HB2 ARG A1071 -1.056 3.014 -8.055 1.00 0.00 H new ATOM 0 HB3 ARG A1071 0.443 3.566 -8.775 1.00 0.00 H new ATOM 0 HG2 ARG A1071 0.935 1.339 -8.517 1.00 0.00 H new ATOM 0 HG3 ARG A1071 1.550 1.946 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A1071 -0.361 1.206 -5.785 1.00 0.00 H new ATOM 0 HD3 ARG A1071 -1.317 1.012 -7.242 1.00 0.00 H new ATOM 0 HE ARG A1071 0.973 -0.735 -7.345 1.00 0.00 H new ATOM 0 HH11 ARG A1071 -2.144 -0.313 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A1071 -2.371 -2.044 -5.458 1.00 0.00 H new ATOM 0 HH21 ARG A1071 0.634 -2.970 -7.036 1.00 0.00 H new ATOM 0 HH22 ARG A1071 -0.812 -3.535 -6.193 1.00 0.00 H new ATOM 67 N VAL A1072 0.327 6.239 -8.016 1.00 0.00 N ATOM 68 CA VAL A1072 -0.145 7.428 -8.688 1.00 0.00 C ATOM 69 C VAL A1072 0.325 7.391 -10.142 1.00 0.00 C ATOM 70 O VAL A1072 1.452 6.985 -10.425 1.00 0.00 O ATOM 71 CB VAL A1072 0.357 8.716 -7.995 1.00 0.00 C ATOM 72 CG1 VAL A1072 -0.176 8.809 -6.574 1.00 0.00 C ATOM 73 CG2 VAL A1072 1.875 8.784 -7.990 1.00 0.00 C ATOM 0 H VAL A1072 1.309 6.026 -8.188 1.00 0.00 H new ATOM 0 HA VAL A1072 -1.234 7.444 -8.645 1.00 0.00 H new ATOM 0 HB VAL A1072 -0.021 9.564 -8.566 1.00 0.00 H new ATOM 0 HG11 VAL A1072 0.191 9.723 -6.107 1.00 0.00 H new ATOM 0 HG12 VAL A1072 -1.266 8.824 -6.594 1.00 0.00 H new ATOM 0 HG13 VAL A1072 0.165 7.947 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL A1072 2.197 9.701 -7.496 1.00 0.00 H new ATOM 0 HG22 VAL A1072 2.276 7.923 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL A1072 2.243 8.777 -9.016 1.00 0.00 H new ATOM 83 N LYS A1073 -0.544 7.773 -11.055 1.00 0.00 N ATOM 84 CA LYS A1073 -0.233 7.734 -12.472 1.00 0.00 C ATOM 85 C LYS A1073 -0.122 9.154 -12.988 1.00 0.00 C ATOM 86 O LYS A1073 -1.114 9.861 -13.123 1.00 0.00 O ATOM 87 CB LYS A1073 -1.312 6.952 -13.221 1.00 0.00 C ATOM 88 CG LYS A1073 -0.760 6.038 -14.299 1.00 0.00 C ATOM 89 CD LYS A1073 -0.864 6.655 -15.679 1.00 0.00 C ATOM 90 CE LYS A1073 -0.278 5.731 -16.731 1.00 0.00 C ATOM 91 NZ LYS A1073 -0.551 6.211 -18.112 1.00 0.00 N ATOM 0 H LYS A1073 -1.480 8.117 -10.840 1.00 0.00 H new ATOM 0 HA LYS A1073 0.717 7.226 -12.636 1.00 0.00 H new ATOM 0 HB2 LYS A1073 -1.879 6.356 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A1073 -2.010 7.655 -13.675 1.00 0.00 H new ATOM 0 HG2 LYS A1073 0.284 5.811 -14.082 1.00 0.00 H new ATOM 0 HG3 LYS A1073 -1.301 5.092 -14.284 1.00 0.00 H new ATOM 0 HD2 LYS A1073 -1.909 6.861 -15.912 1.00 0.00 H new ATOM 0 HD3 LYS A1073 -0.339 7.610 -15.695 1.00 0.00 H new ATOM 0 HE2 LYS A1073 0.799 5.650 -16.582 1.00 0.00 H new ATOM 0 HE3 LYS A1073 -0.693 4.731 -16.606 1.00 0.00 H new ATOM 0 HZ1 LYS A1073 0.244 5.955 -18.732 1.00 0.00 H new ATOM 0 HZ2 LYS A1073 -1.423 5.769 -18.467 1.00 0.00 H new ATOM 0 HZ3 LYS A1073 -0.665 7.245 -18.104 1.00 0.00 H new ATOM 105 N THR A1074 1.100 9.563 -13.237 1.00 0.00 N ATOM 106 CA THR A1074 1.418 10.944 -13.562 1.00 0.00 C ATOM 107 C THR A1074 0.647 11.462 -14.773 1.00 0.00 C ATOM 108 O THR A1074 0.663 10.861 -15.851 1.00 0.00 O ATOM 109 CB THR A1074 2.921 11.092 -13.809 1.00 0.00 C ATOM 110 OG1 THR A1074 3.321 10.240 -14.886 1.00 0.00 O ATOM 111 CG2 THR A1074 3.695 10.718 -12.557 1.00 0.00 C ATOM 0 H THR A1074 1.912 8.946 -13.221 1.00 0.00 H new ATOM 0 HA THR A1074 1.115 11.546 -12.705 1.00 0.00 H new ATOM 0 HB THR A1074 3.134 12.130 -14.066 1.00 0.00 H new ATOM 0 HG1 THR A1074 3.908 10.735 -15.494 1.00 0.00 H new ATOM 0 HG21 THR A1074 4.763 10.827 -12.744 1.00 0.00 H new ATOM 0 HG22 THR A1074 3.401 11.374 -11.738 1.00 0.00 H new ATOM 0 HG23 THR A1074 3.477 9.684 -12.290 1.00 0.00 H new ATOM 119 N ILE A1075 -0.031 12.583 -14.578 1.00 0.00 N ATOM 120 CA ILE A1075 -0.786 13.223 -15.643 1.00 0.00 C ATOM 121 C ILE A1075 -0.137 14.545 -16.027 1.00 0.00 C ATOM 122 O ILE A1075 -0.634 15.273 -16.883 1.00 0.00 O ATOM 123 CB ILE A1075 -2.250 13.470 -15.229 1.00 0.00 C ATOM 124 CG1 ILE A1075 -2.304 14.054 -13.811 1.00 0.00 C ATOM 125 CG2 ILE A1075 -3.050 12.182 -15.334 1.00 0.00 C ATOM 126 CD1 ILE A1075 -3.699 14.374 -13.320 1.00 0.00 C ATOM 0 H ILE A1075 -0.073 13.071 -13.683 1.00 0.00 H new ATOM 0 HA ILE A1075 -0.781 12.549 -16.500 1.00 0.00 H new ATOM 0 HB ILE A1075 -2.699 14.195 -15.907 1.00 0.00 H new ATOM 0 HG12 ILE A1075 -1.843 13.347 -13.122 1.00 0.00 H new ATOM 0 HG13 ILE A1075 -1.704 14.964 -13.783 1.00 0.00 H new ATOM 0 HG21 ILE A1075 -4.082 12.370 -15.039 1.00 0.00 H new ATOM 0 HG22 ILE A1075 -3.026 11.822 -16.363 1.00 0.00 H new ATOM 0 HG23 ILE A1075 -2.616 11.429 -14.676 1.00 0.00 H new ATOM 0 HD11 ILE A1075 -3.645 14.782 -12.311 1.00 0.00 H new ATOM 0 HD12 ILE A1075 -4.159 15.107 -13.983 1.00 0.00 H new ATOM 0 HD13 ILE A1075 -4.300 13.464 -13.312 1.00 0.00 H new ATOM 138 N TYR A1076 0.964 14.846 -15.364 1.00 0.00 N ATOM 139 CA TYR A1076 1.776 16.006 -15.685 1.00 0.00 C ATOM 140 C TYR A1076 3.238 15.611 -15.627 1.00 0.00 C ATOM 141 O TYR A1076 3.635 14.830 -14.763 1.00 0.00 O ATOM 142 CB TYR A1076 1.516 17.153 -14.704 1.00 0.00 C ATOM 143 CG TYR A1076 0.182 17.842 -14.880 1.00 0.00 C ATOM 144 CD1 TYR A1076 0.023 18.857 -15.814 1.00 0.00 C ATOM 145 CD2 TYR A1076 -0.912 17.490 -14.100 1.00 0.00 C ATOM 146 CE1 TYR A1076 -1.188 19.503 -15.967 1.00 0.00 C ATOM 147 CE2 TYR A1076 -2.127 18.128 -14.250 1.00 0.00 C ATOM 148 CZ TYR A1076 -2.260 19.134 -15.182 1.00 0.00 C ATOM 149 OH TYR A1076 -3.468 19.779 -15.323 1.00 0.00 O ATOM 0 H TYR A1076 1.322 14.292 -14.586 1.00 0.00 H new ATOM 0 HA TYR A1076 1.514 16.351 -16.685 1.00 0.00 H new ATOM 0 HB2 TYR A1076 1.578 16.765 -13.687 1.00 0.00 H new ATOM 0 HB3 TYR A1076 2.309 17.893 -14.812 1.00 0.00 H new ATOM 0 HD1 TYR A1076 0.861 19.146 -16.431 1.00 0.00 H new ATOM 0 HD2 TYR A1076 -0.811 16.705 -13.365 1.00 0.00 H new ATOM 0 HE1 TYR A1076 -1.295 20.292 -16.697 1.00 0.00 H new ATOM 0 HE2 TYR A1076 -2.970 17.840 -13.639 1.00 0.00 H new ATOM 0 HH TYR A1076 -4.118 19.398 -14.696 1.00 0.00 H new ATOM 159 N ASP A1077 4.027 16.111 -16.557 1.00 0.00 N ATOM 160 CA ASP A1077 5.453 15.840 -16.550 1.00 0.00 C ATOM 161 C ASP A1077 6.141 16.717 -15.517 1.00 0.00 C ATOM 162 O ASP A1077 5.865 17.914 -15.410 1.00 0.00 O ATOM 163 CB ASP A1077 6.076 16.055 -17.935 1.00 0.00 C ATOM 164 CG ASP A1077 6.008 17.493 -18.411 1.00 0.00 C ATOM 165 OD1 ASP A1077 4.949 17.893 -18.939 1.00 0.00 O ATOM 166 OD2 ASP A1077 7.015 18.220 -18.274 1.00 0.00 O ATOM 0 H ASP A1077 3.709 16.704 -17.324 1.00 0.00 H new ATOM 0 HA ASP A1077 5.596 14.792 -16.286 1.00 0.00 H new ATOM 0 HB2 ASP A1077 7.119 15.738 -17.909 1.00 0.00 H new ATOM 0 HB3 ASP A1077 5.567 15.417 -18.657 1.00 0.00 H new ATOM 171 N CYS A1078 7.013 16.111 -14.740 1.00 0.00 N ATOM 172 CA CYS A1078 7.754 16.835 -13.730 1.00 0.00 C ATOM 173 C CYS A1078 9.241 16.720 -14.004 1.00 0.00 C ATOM 174 O CYS A1078 9.891 15.741 -13.619 1.00 0.00 O ATOM 175 CB CYS A1078 7.428 16.319 -12.332 1.00 0.00 C ATOM 176 SG CYS A1078 8.430 17.041 -11.009 1.00 0.00 S ATOM 0 H CYS A1078 7.227 15.115 -14.789 1.00 0.00 H new ATOM 0 HA CYS A1078 7.462 17.884 -13.773 1.00 0.00 H new ATOM 0 HB2 CYS A1078 6.377 16.516 -12.122 1.00 0.00 H new ATOM 0 HB3 CYS A1078 7.558 15.237 -12.319 1.00 0.00 H new ATOM 0 HG CYS A1078 9.320 16.178 -10.618 1.00 0.00 H new ATOM 182 N GLN A1079 9.763 17.706 -14.705 1.00 0.00 N ATOM 183 CA GLN A1079 11.184 17.789 -14.961 1.00 0.00 C ATOM 184 C GLN A1079 11.860 18.464 -13.778 1.00 0.00 C ATOM 185 O GLN A1079 12.003 19.687 -13.740 1.00 0.00 O ATOM 186 CB GLN A1079 11.429 18.552 -16.263 1.00 0.00 C ATOM 187 CG GLN A1079 10.994 17.774 -17.497 1.00 0.00 C ATOM 188 CD GLN A1079 10.896 18.636 -18.737 1.00 0.00 C ATOM 189 OE1 GLN A1079 11.883 18.847 -19.442 1.00 0.00 O ATOM 190 NE2 GLN A1079 9.696 19.118 -19.032 1.00 0.00 N ATOM 0 H GLN A1079 9.217 18.467 -15.110 1.00 0.00 H new ATOM 0 HA GLN A1079 11.609 16.792 -15.077 1.00 0.00 H new ATOM 0 HB2 GLN A1079 10.892 19.500 -16.229 1.00 0.00 H new ATOM 0 HB3 GLN A1079 12.490 18.790 -16.345 1.00 0.00 H new ATOM 0 HG2 GLN A1079 11.703 16.966 -17.678 1.00 0.00 H new ATOM 0 HG3 GLN A1079 10.026 17.312 -17.305 1.00 0.00 H new ATOM 0 HE21 GLN A1079 8.903 18.920 -18.422 1.00 0.00 H new ATOM 0 HE22 GLN A1079 9.566 19.686 -19.869 1.00 0.00 H new ATOM 199 N ALA A1080 12.234 17.641 -12.805 1.00 0.00 N ATOM 200 CA ALA A1080 12.795 18.109 -11.546 1.00 0.00 C ATOM 201 C ALA A1080 14.018 18.989 -11.754 1.00 0.00 C ATOM 202 O ALA A1080 14.945 18.626 -12.480 1.00 0.00 O ATOM 203 CB ALA A1080 13.159 16.919 -10.678 1.00 0.00 C ATOM 0 H ALA A1080 12.156 16.626 -12.869 1.00 0.00 H new ATOM 0 HA ALA A1080 12.037 18.716 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A1080 13.579 17.271 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A1080 12.266 16.327 -10.479 1.00 0.00 H new ATOM 0 HB3 ALA A1080 13.894 16.303 -11.195 1.00 0.00 H new ATOM 209 N ASP A1081 14.007 20.148 -11.115 1.00 0.00 N ATOM 210 CA ASP A1081 15.150 21.045 -11.141 1.00 0.00 C ATOM 211 C ASP A1081 16.097 20.693 -10.004 1.00 0.00 C ATOM 212 O ASP A1081 17.309 20.883 -10.100 1.00 0.00 O ATOM 213 CB ASP A1081 14.692 22.499 -11.025 1.00 0.00 C ATOM 214 CG ASP A1081 15.846 23.482 -11.039 1.00 0.00 C ATOM 215 OD1 ASP A1081 16.401 23.745 -12.128 1.00 0.00 O ATOM 216 OD2 ASP A1081 16.188 24.015 -9.964 1.00 0.00 O ATOM 0 H ASP A1081 13.216 20.490 -10.570 1.00 0.00 H new ATOM 0 HA ASP A1081 15.673 20.929 -12.090 1.00 0.00 H new ATOM 0 HB2 ASP A1081 14.015 22.729 -11.848 1.00 0.00 H new ATOM 0 HB3 ASP A1081 14.125 22.624 -10.102 1.00 0.00 H new ATOM 221 N ASN A1082 15.530 20.154 -8.932 1.00 0.00 N ATOM 222 CA ASN A1082 16.310 19.704 -7.788 1.00 0.00 C ATOM 223 C ASN A1082 16.410 18.186 -7.806 1.00 0.00 C ATOM 224 O ASN A1082 15.452 17.504 -8.162 1.00 0.00 O ATOM 225 CB ASN A1082 15.661 20.157 -6.475 1.00 0.00 C ATOM 226 CG ASN A1082 15.500 21.662 -6.386 1.00 0.00 C ATOM 227 OD1 ASN A1082 16.388 22.367 -5.911 1.00 0.00 O ATOM 228 ND2 ASN A1082 14.358 22.162 -6.835 1.00 0.00 N ATOM 0 H ASN A1082 14.524 20.017 -8.832 1.00 0.00 H new ATOM 0 HA ASN A1082 17.306 20.142 -7.854 1.00 0.00 H new ATOM 0 HB2 ASN A1082 14.683 19.685 -6.377 1.00 0.00 H new ATOM 0 HB3 ASN A1082 16.267 19.811 -5.638 1.00 0.00 H new ATOM 0 HD21 ASN A1082 14.190 23.167 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A1082 13.647 21.542 -7.222 1.00 0.00 H new ATOM 235 N ASP A1083 17.567 17.665 -7.415 1.00 0.00 N ATOM 236 CA ASP A1083 17.807 16.219 -7.407 1.00 0.00 C ATOM 237 C ASP A1083 16.970 15.535 -6.328 1.00 0.00 C ATOM 238 O ASP A1083 16.767 14.324 -6.353 1.00 0.00 O ATOM 239 CB ASP A1083 19.298 15.940 -7.187 1.00 0.00 C ATOM 240 CG ASP A1083 19.663 14.474 -7.349 1.00 0.00 C ATOM 241 OD1 ASP A1083 19.841 14.023 -8.503 1.00 0.00 O ATOM 242 OD2 ASP A1083 19.805 13.770 -6.326 1.00 0.00 O ATOM 0 H ASP A1083 18.360 18.222 -7.097 1.00 0.00 H new ATOM 0 HA ASP A1083 17.509 15.811 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP A1083 19.880 16.533 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A1083 19.579 16.269 -6.187 1.00 0.00 H new ATOM 247 N ASP A1084 16.484 16.327 -5.377 1.00 0.00 N ATOM 248 CA ASP A1084 15.626 15.817 -4.310 1.00 0.00 C ATOM 249 C ASP A1084 14.232 15.517 -4.858 1.00 0.00 C ATOM 250 O ASP A1084 13.528 14.629 -4.366 1.00 0.00 O ATOM 251 CB ASP A1084 15.532 16.841 -3.179 1.00 0.00 C ATOM 252 CG ASP A1084 15.112 16.227 -1.857 1.00 0.00 C ATOM 253 OD1 ASP A1084 13.899 16.045 -1.628 1.00 0.00 O ATOM 254 OD2 ASP A1084 16.001 15.937 -1.025 1.00 0.00 O ATOM 0 H ASP A1084 16.670 17.328 -5.323 1.00 0.00 H new ATOM 0 HA ASP A1084 16.059 14.896 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP A1084 16.499 17.328 -3.056 1.00 0.00 H new ATOM 0 HB3 ASP A1084 14.818 17.616 -3.457 1.00 0.00 H new ATOM 259 N GLU A1085 13.848 16.270 -5.888 1.00 0.00 N ATOM 260 CA GLU A1085 12.570 16.085 -6.561 1.00 0.00 C ATOM 261 C GLU A1085 12.660 14.906 -7.517 1.00 0.00 C ATOM 262 O GLU A1085 13.717 14.637 -8.087 1.00 0.00 O ATOM 263 CB GLU A1085 12.188 17.342 -7.354 1.00 0.00 C ATOM 264 CG GLU A1085 11.998 18.589 -6.514 1.00 0.00 C ATOM 265 CD GLU A1085 11.679 19.799 -7.371 1.00 0.00 C ATOM 266 OE1 GLU A1085 12.622 20.392 -7.945 1.00 0.00 O ATOM 267 OE2 GLU A1085 10.487 20.151 -7.497 1.00 0.00 O ATOM 0 H GLU A1085 14.415 17.023 -6.276 1.00 0.00 H new ATOM 0 HA GLU A1085 11.808 15.896 -5.804 1.00 0.00 H new ATOM 0 HB2 GLU A1085 12.962 17.535 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A1085 11.265 17.144 -7.900 1.00 0.00 H new ATOM 0 HG2 GLU A1085 11.192 18.427 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A1085 12.902 18.780 -5.937 1.00 0.00 H new ATOM 274 N LEU A1086 11.560 14.202 -7.691 1.00 0.00 N ATOM 275 CA LEU A1086 11.528 13.095 -8.628 1.00 0.00 C ATOM 276 C LEU A1086 11.285 13.600 -10.046 1.00 0.00 C ATOM 277 O LEU A1086 10.516 14.541 -10.263 1.00 0.00 O ATOM 278 CB LEU A1086 10.454 12.074 -8.248 1.00 0.00 C ATOM 279 CG LEU A1086 10.315 10.913 -9.235 1.00 0.00 C ATOM 280 CD1 LEU A1086 11.615 10.132 -9.335 1.00 0.00 C ATOM 281 CD2 LEU A1086 9.183 9.996 -8.834 1.00 0.00 C ATOM 0 H LEU A1086 10.682 14.374 -7.201 1.00 0.00 H new ATOM 0 HA LEU A1086 12.499 12.601 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A1086 10.684 11.672 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A1086 9.495 12.585 -8.168 1.00 0.00 H new ATOM 0 HG LEU A1086 10.087 11.333 -10.215 1.00 0.00 H new ATOM 0 HD11 LEU A1086 11.493 9.311 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A1086 12.411 10.793 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A1086 11.875 9.731 -8.355 1.00 0.00 H new ATOM 0 HD21 LEU A1086 9.105 9.179 -9.551 1.00 0.00 H new ATOM 0 HD22 LEU A1086 9.378 9.590 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A1086 8.248 10.557 -8.820 1.00 0.00 H new ATOM 293 N THR A1087 11.937 12.965 -11.008 1.00 0.00 N ATOM 294 CA THR A1087 11.773 13.327 -12.399 1.00 0.00 C ATOM 295 C THR A1087 10.951 12.259 -13.111 1.00 0.00 C ATOM 296 O THR A1087 11.285 11.074 -13.082 1.00 0.00 O ATOM 297 CB THR A1087 13.129 13.494 -13.110 1.00 0.00 C ATOM 298 OG1 THR A1087 14.010 14.292 -12.306 1.00 0.00 O ATOM 299 CG2 THR A1087 12.959 14.152 -14.472 1.00 0.00 C ATOM 0 H THR A1087 12.586 12.195 -10.845 1.00 0.00 H new ATOM 0 HA THR A1087 11.256 14.286 -12.436 1.00 0.00 H new ATOM 0 HB THR A1087 13.556 12.501 -13.253 1.00 0.00 H new ATOM 0 HG1 THR A1087 14.870 14.392 -12.764 1.00 0.00 H new ATOM 0 HG21 THR A1087 13.933 14.257 -14.950 1.00 0.00 H new ATOM 0 HG22 THR A1087 12.313 13.535 -15.096 1.00 0.00 H new ATOM 0 HG23 THR A1087 12.509 15.137 -14.347 1.00 0.00 H new ATOM 307 N PHE A1088 9.868 12.683 -13.724 1.00 0.00 N ATOM 308 CA PHE A1088 8.970 11.772 -14.408 1.00 0.00 C ATOM 309 C PHE A1088 8.206 12.512 -15.491 1.00 0.00 C ATOM 310 O PHE A1088 8.134 13.741 -15.475 1.00 0.00 O ATOM 311 CB PHE A1088 7.989 11.129 -13.416 1.00 0.00 C ATOM 312 CG PHE A1088 7.174 12.116 -12.623 1.00 0.00 C ATOM 313 CD1 PHE A1088 6.085 12.761 -13.190 1.00 0.00 C ATOM 314 CD2 PHE A1088 7.498 12.395 -11.305 1.00 0.00 C ATOM 315 CE1 PHE A1088 5.342 13.667 -12.462 1.00 0.00 C ATOM 316 CE2 PHE A1088 6.753 13.298 -10.571 1.00 0.00 C ATOM 317 CZ PHE A1088 5.674 13.935 -11.151 1.00 0.00 C ATOM 0 H PHE A1088 9.584 13.662 -13.764 1.00 0.00 H new ATOM 0 HA PHE A1088 9.563 10.981 -14.866 1.00 0.00 H new ATOM 0 HB2 PHE A1088 7.312 10.475 -13.965 1.00 0.00 H new ATOM 0 HB3 PHE A1088 8.550 10.500 -12.725 1.00 0.00 H new ATOM 0 HD1 PHE A1088 5.815 12.551 -14.215 1.00 0.00 H new ATOM 0 HD2 PHE A1088 8.342 11.901 -10.846 1.00 0.00 H new ATOM 0 HE1 PHE A1088 4.500 14.166 -12.919 1.00 0.00 H new ATOM 0 HE2 PHE A1088 7.015 13.505 -9.544 1.00 0.00 H new ATOM 0 HZ PHE A1088 5.091 14.642 -10.579 1.00 0.00 H new ATOM 327 N ILE A1089 7.640 11.774 -16.427 1.00 0.00 N ATOM 328 CA ILE A1089 6.789 12.366 -17.445 1.00 0.00 C ATOM 329 C ILE A1089 5.406 11.741 -17.377 1.00 0.00 C ATOM 330 O ILE A1089 5.195 10.778 -16.631 1.00 0.00 O ATOM 331 CB ILE A1089 7.358 12.216 -18.882 1.00 0.00 C ATOM 332 CG1 ILE A1089 7.257 10.767 -19.399 1.00 0.00 C ATOM 333 CG2 ILE A1089 8.798 12.705 -18.936 1.00 0.00 C ATOM 334 CD1 ILE A1089 8.104 9.763 -18.649 1.00 0.00 C ATOM 0 H ILE A1089 7.753 10.763 -16.505 1.00 0.00 H new ATOM 0 HA ILE A1089 6.740 13.434 -17.235 1.00 0.00 H new ATOM 0 HB ILE A1089 6.748 12.835 -19.540 1.00 0.00 H new ATOM 0 HG12 ILE A1089 6.215 10.451 -19.349 1.00 0.00 H new ATOM 0 HG13 ILE A1089 7.545 10.751 -20.450 1.00 0.00 H new ATOM 0 HG21 ILE A1089 9.182 12.593 -19.950 1.00 0.00 H new ATOM 0 HG22 ILE A1089 8.837 13.755 -18.647 1.00 0.00 H new ATOM 0 HG23 ILE A1089 9.408 12.117 -18.250 1.00 0.00 H new ATOM 0 HD11 ILE A1089 7.967 8.773 -19.085 1.00 0.00 H new ATOM 0 HD12 ILE A1089 9.154 10.048 -18.719 1.00 0.00 H new ATOM 0 HD13 ILE A1089 7.803 9.743 -17.602 1.00 0.00 H new ATOM 346 N GLU A1090 4.468 12.293 -18.133 1.00 0.00 N ATOM 347 CA GLU A1090 3.105 11.780 -18.148 1.00 0.00 C ATOM 348 C GLU A1090 3.076 10.307 -18.536 1.00 0.00 C ATOM 349 O GLU A1090 3.490 9.932 -19.633 1.00 0.00 O ATOM 350 CB GLU A1090 2.233 12.573 -19.116 1.00 0.00 C ATOM 351 CG GLU A1090 2.021 14.019 -18.717 1.00 0.00 C ATOM 352 CD GLU A1090 1.058 14.727 -19.640 1.00 0.00 C ATOM 353 OE1 GLU A1090 -0.068 14.215 -19.838 1.00 0.00 O ATOM 354 OE2 GLU A1090 1.416 15.804 -20.170 1.00 0.00 O ATOM 0 H GLU A1090 4.625 13.095 -18.743 1.00 0.00 H new ATOM 0 HA GLU A1090 2.709 11.889 -17.138 1.00 0.00 H new ATOM 0 HB2 GLU A1090 2.689 12.544 -20.106 1.00 0.00 H new ATOM 0 HB3 GLU A1090 1.262 12.084 -19.197 1.00 0.00 H new ATOM 0 HG2 GLU A1090 1.641 14.061 -17.696 1.00 0.00 H new ATOM 0 HG3 GLU A1090 2.978 14.540 -18.723 1.00 0.00 H new ATOM 361 N GLY A1091 2.579 9.482 -17.628 1.00 0.00 N ATOM 362 CA GLY A1091 2.454 8.066 -17.909 1.00 0.00 C ATOM 363 C GLY A1091 3.261 7.198 -16.971 1.00 0.00 C ATOM 364 O GLY A1091 3.179 5.970 -17.033 1.00 0.00 O ATOM 0 H GLY A1091 2.260 9.766 -16.702 1.00 0.00 H new ATOM 0 HA2 GLY A1091 1.404 7.781 -17.844 1.00 0.00 H new ATOM 0 HA3 GLY A1091 2.773 7.876 -18.934 1.00 0.00 H new ATOM 368 N GLU A1092 4.026 7.825 -16.096 1.00 0.00 N ATOM 369 CA GLU A1092 4.819 7.094 -15.126 1.00 0.00 C ATOM 370 C GLU A1092 3.959 6.693 -13.937 1.00 0.00 C ATOM 371 O GLU A1092 3.239 7.518 -13.369 1.00 0.00 O ATOM 372 CB GLU A1092 6.002 7.940 -14.646 1.00 0.00 C ATOM 373 CG GLU A1092 7.051 8.195 -15.716 1.00 0.00 C ATOM 374 CD GLU A1092 7.901 6.974 -16.012 1.00 0.00 C ATOM 375 OE1 GLU A1092 7.370 5.983 -16.556 1.00 0.00 O ATOM 376 OE2 GLU A1092 9.110 7.004 -15.706 1.00 0.00 O ATOM 0 H GLU A1092 4.115 8.839 -16.038 1.00 0.00 H new ATOM 0 HA GLU A1092 5.204 6.196 -15.609 1.00 0.00 H new ATOM 0 HB2 GLU A1092 5.628 8.897 -14.282 1.00 0.00 H new ATOM 0 HB3 GLU A1092 6.474 7.440 -13.800 1.00 0.00 H new ATOM 0 HG2 GLU A1092 6.557 8.518 -16.632 1.00 0.00 H new ATOM 0 HG3 GLU A1092 7.697 9.013 -15.397 1.00 0.00 H new ATOM 383 N VAL A1093 4.016 5.424 -13.581 1.00 0.00 N ATOM 384 CA VAL A1093 3.338 4.951 -12.392 1.00 0.00 C ATOM 385 C VAL A1093 4.298 4.997 -11.220 1.00 0.00 C ATOM 386 O VAL A1093 5.345 4.347 -11.221 1.00 0.00 O ATOM 387 CB VAL A1093 2.793 3.521 -12.556 1.00 0.00 C ATOM 388 CG1 VAL A1093 2.159 3.018 -11.262 1.00 0.00 C ATOM 389 CG2 VAL A1093 1.801 3.453 -13.709 1.00 0.00 C ATOM 0 H VAL A1093 4.523 4.705 -14.097 1.00 0.00 H new ATOM 0 HA VAL A1093 2.484 5.605 -12.216 1.00 0.00 H new ATOM 0 HB VAL A1093 3.633 2.867 -12.788 1.00 0.00 H new ATOM 0 HG11 VAL A1093 1.784 2.005 -11.410 1.00 0.00 H new ATOM 0 HG12 VAL A1093 2.906 3.015 -10.468 1.00 0.00 H new ATOM 0 HG13 VAL A1093 1.334 3.673 -10.982 1.00 0.00 H new ATOM 0 HG21 VAL A1093 1.428 2.434 -13.808 1.00 0.00 H new ATOM 0 HG22 VAL A1093 0.968 4.127 -13.512 1.00 0.00 H new ATOM 0 HG23 VAL A1093 2.297 3.749 -14.633 1.00 0.00 H new ATOM 399 N ILE A1094 3.944 5.787 -10.240 1.00 0.00 N ATOM 400 CA ILE A1094 4.769 5.959 -9.063 1.00 0.00 C ATOM 401 C ILE A1094 4.115 5.279 -7.879 1.00 0.00 C ATOM 402 O ILE A1094 2.921 5.444 -7.643 1.00 0.00 O ATOM 403 CB ILE A1094 4.977 7.448 -8.714 1.00 0.00 C ATOM 404 CG1 ILE A1094 5.482 8.231 -9.926 1.00 0.00 C ATOM 405 CG2 ILE A1094 5.950 7.590 -7.552 1.00 0.00 C ATOM 406 CD1 ILE A1094 5.690 9.703 -9.642 1.00 0.00 C ATOM 0 H ILE A1094 3.080 6.329 -10.231 1.00 0.00 H new ATOM 0 HA ILE A1094 5.740 5.515 -9.282 1.00 0.00 H new ATOM 0 HB ILE A1094 4.013 7.863 -8.419 1.00 0.00 H new ATOM 0 HG12 ILE A1094 6.423 7.797 -10.264 1.00 0.00 H new ATOM 0 HG13 ILE A1094 4.769 8.123 -10.743 1.00 0.00 H new ATOM 0 HG21 ILE A1094 6.086 8.646 -7.318 1.00 0.00 H new ATOM 0 HG22 ILE A1094 5.552 7.073 -6.679 1.00 0.00 H new ATOM 0 HG23 ILE A1094 6.910 7.153 -7.826 1.00 0.00 H new ATOM 0 HD11 ILE A1094 6.049 10.200 -10.543 1.00 0.00 H new ATOM 0 HD12 ILE A1094 4.746 10.151 -9.332 1.00 0.00 H new ATOM 0 HD13 ILE A1094 6.425 9.820 -8.846 1.00 0.00 H new ATOM 418 N ILE A1095 4.886 4.505 -7.146 1.00 0.00 N ATOM 419 CA ILE A1095 4.378 3.902 -5.933 1.00 0.00 C ATOM 420 C ILE A1095 4.738 4.765 -4.740 1.00 0.00 C ATOM 421 O ILE A1095 5.916 5.035 -4.492 1.00 0.00 O ATOM 422 CB ILE A1095 4.893 2.462 -5.721 1.00 0.00 C ATOM 423 CG1 ILE A1095 4.353 1.552 -6.825 1.00 0.00 C ATOM 424 CG2 ILE A1095 4.490 1.938 -4.345 1.00 0.00 C ATOM 425 CD1 ILE A1095 4.623 0.083 -6.597 1.00 0.00 C ATOM 0 H ILE A1095 5.856 4.280 -7.365 1.00 0.00 H new ATOM 0 HA ILE A1095 3.295 3.839 -6.034 1.00 0.00 H new ATOM 0 HB ILE A1095 5.982 2.468 -5.769 1.00 0.00 H new ATOM 0 HG12 ILE A1095 3.277 1.704 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A1095 4.796 1.849 -7.776 1.00 0.00 H new ATOM 0 HG21 ILE A1095 4.864 0.922 -4.219 1.00 0.00 H new ATOM 0 HG22 ILE A1095 4.914 2.579 -3.573 1.00 0.00 H new ATOM 0 HG23 ILE A1095 3.403 1.938 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A1095 4.209 -0.495 -7.423 1.00 0.00 H new ATOM 0 HD12 ILE A1095 5.698 -0.085 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A1095 4.156 -0.232 -5.664 1.00 0.00 H new ATOM 437 N VAL A1096 3.713 5.215 -4.038 1.00 0.00 N ATOM 438 CA VAL A1096 3.873 6.039 -2.859 1.00 0.00 C ATOM 439 C VAL A1096 4.472 5.228 -1.716 1.00 0.00 C ATOM 440 O VAL A1096 3.821 4.338 -1.157 1.00 0.00 O ATOM 441 CB VAL A1096 2.515 6.628 -2.431 1.00 0.00 C ATOM 442 CG1 VAL A1096 2.665 7.480 -1.178 1.00 0.00 C ATOM 443 CG2 VAL A1096 1.908 7.437 -3.565 1.00 0.00 C ATOM 0 H VAL A1096 2.741 5.016 -4.274 1.00 0.00 H new ATOM 0 HA VAL A1096 4.553 6.856 -3.101 1.00 0.00 H new ATOM 0 HB VAL A1096 1.841 5.804 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A1096 1.693 7.885 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A1096 3.053 6.866 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A1096 3.356 8.299 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A1096 0.949 7.846 -3.247 1.00 0.00 H new ATOM 0 HG22 VAL A1096 2.581 8.253 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A1096 1.758 6.793 -4.432 1.00 0.00 H new ATOM 453 N THR A1097 5.713 5.534 -1.383 1.00 0.00 N ATOM 454 CA THR A1097 6.436 4.813 -0.352 1.00 0.00 C ATOM 455 C THR A1097 6.557 5.668 0.910 1.00 0.00 C ATOM 456 O THR A1097 6.863 5.165 1.992 1.00 0.00 O ATOM 457 CB THR A1097 7.842 4.399 -0.849 1.00 0.00 C ATOM 458 OG1 THR A1097 8.608 5.559 -1.199 1.00 0.00 O ATOM 459 CG2 THR A1097 7.746 3.475 -2.062 1.00 0.00 C ATOM 0 H THR A1097 6.246 6.287 -1.818 1.00 0.00 H new ATOM 0 HA THR A1097 5.875 3.909 -0.115 1.00 0.00 H new ATOM 0 HB THR A1097 8.336 3.865 -0.038 1.00 0.00 H new ATOM 0 HG1 THR A1097 9.136 5.372 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A1097 8.748 3.200 -2.390 1.00 0.00 H new ATOM 0 HG22 THR A1097 7.193 2.575 -1.791 1.00 0.00 H new ATOM 0 HG23 THR A1097 7.228 3.990 -2.871 1.00 0.00 H new ATOM 467 N GLY A1098 6.305 6.965 0.761 1.00 0.00 N ATOM 468 CA GLY A1098 6.360 7.881 1.883 1.00 0.00 C ATOM 469 C GLY A1098 5.510 9.111 1.644 1.00 0.00 C ATOM 470 O GLY A1098 4.974 9.290 0.553 1.00 0.00 O ATOM 0 H GLY A1098 6.061 7.400 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A1098 6.019 7.373 2.785 1.00 0.00 H new ATOM 0 HA3 GLY A1098 7.393 8.181 2.058 1.00 0.00 H new ATOM 474 N GLU A1099 5.390 9.961 2.654 1.00 0.00 N ATOM 475 CA GLU A1099 4.558 11.160 2.559 1.00 0.00 C ATOM 476 C GLU A1099 5.207 12.324 3.298 1.00 0.00 C ATOM 477 O GLU A1099 5.664 12.170 4.431 1.00 0.00 O ATOM 478 CB GLU A1099 3.165 10.891 3.141 1.00 0.00 C ATOM 479 CG GLU A1099 2.331 9.918 2.321 1.00 0.00 C ATOM 480 CD GLU A1099 1.069 9.472 3.034 1.00 0.00 C ATOM 481 OE1 GLU A1099 1.125 8.459 3.762 1.00 0.00 O ATOM 482 OE2 GLU A1099 0.015 10.121 2.866 1.00 0.00 O ATOM 0 H GLU A1099 5.858 9.845 3.553 1.00 0.00 H new ATOM 0 HA GLU A1099 4.460 11.422 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A1099 3.274 10.498 4.152 1.00 0.00 H new ATOM 0 HB3 GLU A1099 2.627 11.836 3.222 1.00 0.00 H new ATOM 0 HG2 GLU A1099 2.061 10.387 1.375 1.00 0.00 H new ATOM 0 HG3 GLU A1099 2.935 9.043 2.081 1.00 0.00 H new ATOM 489 N GLU A1100 5.248 13.482 2.654 1.00 0.00 N ATOM 490 CA GLU A1100 5.806 14.686 3.265 1.00 0.00 C ATOM 491 C GLU A1100 4.685 15.656 3.621 1.00 0.00 C ATOM 492 O GLU A1100 4.651 16.220 4.716 1.00 0.00 O ATOM 493 CB GLU A1100 6.796 15.368 2.314 1.00 0.00 C ATOM 494 CG GLU A1100 8.056 14.560 2.053 1.00 0.00 C ATOM 495 CD GLU A1100 8.965 14.467 3.264 1.00 0.00 C ATOM 496 OE1 GLU A1100 8.715 13.619 4.146 1.00 0.00 O ATOM 497 OE2 GLU A1100 9.945 15.241 3.338 1.00 0.00 O ATOM 0 H GLU A1100 4.901 13.616 1.704 1.00 0.00 H new ATOM 0 HA GLU A1100 6.337 14.396 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A1100 6.297 15.562 1.364 1.00 0.00 H new ATOM 0 HB3 GLU A1100 7.076 16.336 2.730 1.00 0.00 H new ATOM 0 HG2 GLU A1100 7.777 13.555 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A1100 8.606 15.012 1.227 1.00 0.00 H new ATOM 504 N ASP A1101 3.768 15.830 2.681 1.00 0.00 N ATOM 505 CA ASP A1101 2.618 16.711 2.856 1.00 0.00 C ATOM 506 C ASP A1101 1.444 16.128 2.072 1.00 0.00 C ATOM 507 O ASP A1101 1.549 15.014 1.569 1.00 0.00 O ATOM 508 CB ASP A1101 2.954 18.136 2.375 1.00 0.00 C ATOM 509 CG ASP A1101 1.912 19.168 2.778 1.00 0.00 C ATOM 510 OD1 ASP A1101 2.013 19.722 3.894 1.00 0.00 O ATOM 511 OD2 ASP A1101 0.988 19.426 1.981 1.00 0.00 O ATOM 0 H ASP A1101 3.798 15.365 1.774 1.00 0.00 H new ATOM 0 HA ASP A1101 2.353 16.779 3.911 1.00 0.00 H new ATOM 0 HB2 ASP A1101 3.922 18.430 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A1101 3.051 18.132 1.289 1.00 0.00 H new ATOM 516 N GLN A1102 0.346 16.857 1.943 1.00 0.00 N ATOM 517 CA GLN A1102 -0.798 16.348 1.203 1.00 0.00 C ATOM 518 C GLN A1102 -0.579 16.541 -0.294 1.00 0.00 C ATOM 519 O GLN A1102 -1.229 15.901 -1.120 1.00 0.00 O ATOM 520 CB GLN A1102 -2.097 17.038 1.634 1.00 0.00 C ATOM 521 CG GLN A1102 -2.184 18.500 1.228 1.00 0.00 C ATOM 522 CD GLN A1102 -3.585 19.051 1.357 1.00 0.00 C ATOM 523 OE1 GLN A1102 -4.384 18.971 0.424 1.00 0.00 O ATOM 524 NE2 GLN A1102 -3.893 19.621 2.509 1.00 0.00 N ATOM 0 H GLN A1102 0.223 17.791 2.335 1.00 0.00 H new ATOM 0 HA GLN A1102 -0.893 15.285 1.423 1.00 0.00 H new ATOM 0 HB2 GLN A1102 -2.942 16.501 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A1102 -2.193 16.966 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A1102 -1.507 19.087 1.848 1.00 0.00 H new ATOM 0 HG3 GLN A1102 -1.847 18.609 0.197 1.00 0.00 H new ATOM 0 HE21 GLN A1102 -3.201 19.666 3.257 1.00 0.00 H new ATOM 0 HE22 GLN A1102 -4.823 20.016 2.650 1.00 0.00 H new ATOM 533 N GLU A1103 0.351 17.426 -0.643 1.00 0.00 N ATOM 534 CA GLU A1103 0.636 17.698 -2.040 1.00 0.00 C ATOM 535 C GLU A1103 2.062 17.295 -2.376 1.00 0.00 C ATOM 536 O GLU A1103 2.556 17.566 -3.466 1.00 0.00 O ATOM 537 CB GLU A1103 0.390 19.176 -2.365 1.00 0.00 C ATOM 538 CG GLU A1103 1.026 20.135 -1.372 1.00 0.00 C ATOM 539 CD GLU A1103 0.734 21.586 -1.686 1.00 0.00 C ATOM 540 OE1 GLU A1103 1.405 22.156 -2.572 1.00 0.00 O ATOM 541 OE2 GLU A1103 -0.165 22.168 -1.043 1.00 0.00 O ATOM 0 H GLU A1103 0.913 17.960 0.019 1.00 0.00 H new ATOM 0 HA GLU A1103 -0.040 17.104 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A1103 0.778 19.389 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A1103 -0.684 19.358 -2.395 1.00 0.00 H new ATOM 0 HG2 GLU A1103 0.664 19.905 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A1103 2.105 19.980 -1.365 1.00 0.00 H new ATOM 548 N TRP A1104 2.693 16.607 -1.438 1.00 0.00 N ATOM 549 CA TRP A1104 4.068 16.151 -1.596 1.00 0.00 C ATOM 550 C TRP A1104 4.232 14.766 -1.012 1.00 0.00 C ATOM 551 O TRP A1104 4.271 14.595 0.207 1.00 0.00 O ATOM 552 CB TRP A1104 5.042 17.111 -0.920 1.00 0.00 C ATOM 553 CG TRP A1104 5.065 18.453 -1.564 1.00 0.00 C ATOM 554 CD1 TRP A1104 4.297 19.525 -1.234 1.00 0.00 C ATOM 555 CD2 TRP A1104 5.883 18.857 -2.664 1.00 0.00 C ATOM 556 NE1 TRP A1104 4.587 20.580 -2.061 1.00 0.00 N ATOM 557 CE2 TRP A1104 5.561 20.195 -2.950 1.00 0.00 C ATOM 558 CE3 TRP A1104 6.855 18.214 -3.439 1.00 0.00 C ATOM 559 CZ2 TRP A1104 6.186 20.907 -3.973 1.00 0.00 C ATOM 560 CZ3 TRP A1104 7.473 18.921 -4.453 1.00 0.00 C ATOM 561 CH2 TRP A1104 7.133 20.254 -4.716 1.00 0.00 C ATOM 0 H TRP A1104 2.269 16.349 -0.547 1.00 0.00 H new ATOM 0 HA TRP A1104 4.292 16.121 -2.662 1.00 0.00 H new ATOM 0 HB2 TRP A1104 4.768 17.221 0.129 1.00 0.00 H new ATOM 0 HB3 TRP A1104 6.044 16.683 -0.945 1.00 0.00 H new ATOM 0 HD1 TRP A1104 3.567 19.543 -0.439 1.00 0.00 H new ATOM 0 HE1 TRP A1104 4.150 21.501 -2.022 1.00 0.00 H new ATOM 0 HE3 TRP A1104 7.117 17.184 -3.248 1.00 0.00 H new ATOM 0 HZ2 TRP A1104 5.932 21.938 -4.172 1.00 0.00 H new ATOM 0 HZ3 TRP A1104 8.230 18.438 -5.052 1.00 0.00 H new ATOM 0 HH2 TRP A1104 7.628 20.777 -5.521 1.00 0.00 H new ATOM 572 N TRP A1105 4.313 13.780 -1.880 1.00 0.00 N ATOM 573 CA TRP A1105 4.512 12.416 -1.446 1.00 0.00 C ATOM 574 C TRP A1105 5.884 11.932 -1.882 1.00 0.00 C ATOM 575 O TRP A1105 6.534 12.551 -2.725 1.00 0.00 O ATOM 576 CB TRP A1105 3.410 11.502 -1.999 1.00 0.00 C ATOM 577 CG TRP A1105 2.054 11.771 -1.408 1.00 0.00 C ATOM 578 CD1 TRP A1105 1.768 12.572 -0.340 1.00 0.00 C ATOM 579 CD2 TRP A1105 0.798 11.242 -1.850 1.00 0.00 C ATOM 580 NE1 TRP A1105 0.424 12.564 -0.084 1.00 0.00 N ATOM 581 CE2 TRP A1105 -0.196 11.759 -0.998 1.00 0.00 C ATOM 582 CE3 TRP A1105 0.419 10.381 -2.881 1.00 0.00 C ATOM 583 CZ2 TRP A1105 -1.542 11.441 -1.146 1.00 0.00 C ATOM 584 CZ3 TRP A1105 -0.917 10.068 -3.029 1.00 0.00 C ATOM 585 CH2 TRP A1105 -1.884 10.599 -2.166 1.00 0.00 C ATOM 0 H TRP A1105 4.244 13.899 -2.891 1.00 0.00 H new ATOM 0 HA TRP A1105 4.457 12.382 -0.358 1.00 0.00 H new ATOM 0 HB2 TRP A1105 3.357 11.624 -3.081 1.00 0.00 H new ATOM 0 HB3 TRP A1105 3.681 10.464 -1.809 1.00 0.00 H new ATOM 0 HD1 TRP A1105 2.499 13.133 0.223 1.00 0.00 H new ATOM 0 HE1 TRP A1105 -0.040 13.076 0.667 1.00 0.00 H new ATOM 0 HE3 TRP A1105 1.158 9.967 -3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A1105 -2.289 11.845 -0.479 1.00 0.00 H new ATOM 0 HZ3 TRP A1105 -1.222 9.403 -3.823 1.00 0.00 H new ATOM 0 HH2 TRP A1105 -2.922 10.337 -2.310 1.00 0.00 H new ATOM 596 N ILE A1106 6.320 10.842 -1.289 1.00 0.00 N ATOM 597 CA ILE A1106 7.592 10.232 -1.618 1.00 0.00 C ATOM 598 C ILE A1106 7.327 8.870 -2.218 1.00 0.00 C ATOM 599 O ILE A1106 6.478 8.131 -1.728 1.00 0.00 O ATOM 600 CB ILE A1106 8.489 10.068 -0.374 1.00 0.00 C ATOM 601 CG1 ILE A1106 8.774 11.426 0.254 1.00 0.00 C ATOM 602 CG2 ILE A1106 9.793 9.372 -0.737 1.00 0.00 C ATOM 603 CD1 ILE A1106 9.443 11.332 1.608 1.00 0.00 C ATOM 0 H ILE A1106 5.800 10.351 -0.562 1.00 0.00 H new ATOM 0 HA ILE A1106 8.114 10.880 -2.322 1.00 0.00 H new ATOM 0 HB ILE A1106 7.960 9.449 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A1106 9.409 12.003 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A1106 7.838 11.975 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A1106 10.410 9.267 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A1106 9.577 8.385 -1.147 1.00 0.00 H new ATOM 0 HG23 ILE A1106 10.327 9.965 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A1106 9.617 12.335 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A1106 8.799 10.782 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A1106 10.395 10.811 1.508 1.00 0.00 H new ATOM 615 N GLY A1107 8.025 8.536 -3.276 1.00 0.00 N ATOM 616 CA GLY A1107 7.789 7.266 -3.906 1.00 0.00 C ATOM 617 C GLY A1107 8.864 6.906 -4.887 1.00 0.00 C ATOM 618 O GLY A1107 9.925 7.521 -4.907 1.00 0.00 O ATOM 0 H GLY A1107 8.745 9.113 -3.709 1.00 0.00 H new ATOM 0 HA2 GLY A1107 7.724 6.491 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A1107 6.827 7.291 -4.418 1.00 0.00 H new ATOM 622 N HIS A1108 8.574 5.923 -5.713 1.00 0.00 N ATOM 623 CA HIS A1108 9.540 5.421 -6.679 1.00 0.00 C ATOM 624 C HIS A1108 8.852 5.150 -8.012 1.00 0.00 C ATOM 625 O HIS A1108 7.653 4.868 -8.050 1.00 0.00 O ATOM 626 CB HIS A1108 10.246 4.144 -6.157 1.00 0.00 C ATOM 627 CG HIS A1108 9.380 2.915 -5.977 1.00 0.00 C ATOM 628 ND1 HIS A1108 9.520 2.051 -4.912 1.00 0.00 N ATOM 629 CD2 HIS A1108 8.417 2.371 -6.760 1.00 0.00 C ATOM 630 CE1 HIS A1108 8.690 1.034 -5.056 1.00 0.00 C ATOM 631 NE2 HIS A1108 8.007 1.204 -6.172 1.00 0.00 N ATOM 0 H HIS A1108 7.671 5.450 -5.738 1.00 0.00 H new ATOM 0 HA HIS A1108 10.305 6.183 -6.825 1.00 0.00 H new ATOM 0 HB2 HIS A1108 11.052 3.894 -6.847 1.00 0.00 H new ATOM 0 HB3 HIS A1108 10.708 4.378 -5.198 1.00 0.00 H new ATOM 0 HD1 HIS A1108 10.166 2.178 -4.132 1.00 0.00 H new ATOM 0 HD2 HIS A1108 8.040 2.784 -7.684 1.00 0.00 H new ATOM 0 HE1 HIS A1108 8.587 0.202 -4.374 1.00 0.00 H new ATOM 640 N ILE A1109 9.603 5.250 -9.095 1.00 0.00 N ATOM 641 CA ILE A1109 9.085 4.916 -10.414 1.00 0.00 C ATOM 642 C ILE A1109 8.995 3.400 -10.576 1.00 0.00 C ATOM 643 O ILE A1109 9.966 2.688 -10.323 1.00 0.00 O ATOM 644 CB ILE A1109 9.983 5.498 -11.530 1.00 0.00 C ATOM 645 CG1 ILE A1109 9.981 7.030 -11.476 1.00 0.00 C ATOM 646 CG2 ILE A1109 9.535 5.011 -12.904 1.00 0.00 C ATOM 647 CD1 ILE A1109 8.634 7.649 -11.788 1.00 0.00 C ATOM 0 H ILE A1109 10.575 5.560 -9.089 1.00 0.00 H new ATOM 0 HA ILE A1109 8.091 5.354 -10.502 1.00 0.00 H new ATOM 0 HB ILE A1109 11.001 5.145 -11.363 1.00 0.00 H new ATOM 0 HG12 ILE A1109 10.297 7.350 -10.483 1.00 0.00 H new ATOM 0 HG13 ILE A1109 10.718 7.411 -12.183 1.00 0.00 H new ATOM 0 HG21 ILE A1109 10.184 5.436 -13.670 1.00 0.00 H new ATOM 0 HG22 ILE A1109 9.593 3.923 -12.941 1.00 0.00 H new ATOM 0 HG23 ILE A1109 8.507 5.326 -13.084 1.00 0.00 H new ATOM 0 HD11 ILE A1109 8.710 8.735 -11.730 1.00 0.00 H new ATOM 0 HD12 ILE A1109 8.325 7.360 -12.792 1.00 0.00 H new ATOM 0 HD13 ILE A1109 7.896 7.298 -11.066 1.00 0.00 H new ATOM 659 N GLU A1110 7.824 2.910 -10.970 1.00 0.00 N ATOM 660 CA GLU A1110 7.647 1.489 -11.230 1.00 0.00 C ATOM 661 C GLU A1110 8.552 1.036 -12.372 1.00 0.00 C ATOM 662 O GLU A1110 8.574 1.647 -13.445 1.00 0.00 O ATOM 663 CB GLU A1110 6.187 1.179 -11.555 1.00 0.00 C ATOM 664 CG GLU A1110 5.370 0.821 -10.330 1.00 0.00 C ATOM 665 CD GLU A1110 5.917 -0.403 -9.626 1.00 0.00 C ATOM 666 OE1 GLU A1110 6.845 -0.258 -8.799 1.00 0.00 O ATOM 667 OE2 GLU A1110 5.418 -1.518 -9.889 1.00 0.00 O ATOM 0 H GLU A1110 6.987 3.475 -11.115 1.00 0.00 H new ATOM 0 HA GLU A1110 7.924 0.941 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A1110 5.738 2.043 -12.044 1.00 0.00 H new ATOM 0 HB3 GLU A1110 6.146 0.354 -12.266 1.00 0.00 H new ATOM 0 HG2 GLU A1110 5.362 1.664 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A1110 4.336 0.640 -10.623 1.00 0.00 H new ATOM 674 N GLY A1111 9.305 -0.028 -12.131 1.00 0.00 N ATOM 675 CA GLY A1111 10.223 -0.541 -13.129 1.00 0.00 C ATOM 676 C GLY A1111 11.629 -0.015 -12.937 1.00 0.00 C ATOM 677 O GLY A1111 12.599 -0.627 -13.383 1.00 0.00 O ATOM 0 H GLY A1111 9.296 -0.549 -11.254 1.00 0.00 H new ATOM 0 HA2 GLY A1111 10.235 -1.630 -13.083 1.00 0.00 H new ATOM 0 HA3 GLY A1111 9.867 -0.267 -14.122 1.00 0.00 H new ATOM 681 N GLN A1112 11.743 1.110 -12.255 1.00 0.00 N ATOM 682 CA GLN A1112 13.036 1.694 -11.955 1.00 0.00 C ATOM 683 C GLN A1112 13.007 2.279 -10.546 1.00 0.00 C ATOM 684 O GLN A1112 12.933 3.496 -10.360 1.00 0.00 O ATOM 685 CB GLN A1112 13.389 2.768 -12.990 1.00 0.00 C ATOM 686 CG GLN A1112 14.807 3.300 -12.865 1.00 0.00 C ATOM 687 CD GLN A1112 15.159 4.265 -13.977 1.00 0.00 C ATOM 688 OE1 GLN A1112 14.946 5.470 -13.861 1.00 0.00 O ATOM 689 NE2 GLN A1112 15.696 3.742 -15.066 1.00 0.00 N ATOM 0 H GLN A1112 10.949 1.640 -11.896 1.00 0.00 H new ATOM 0 HA GLN A1112 13.805 0.923 -12.002 1.00 0.00 H new ATOM 0 HB2 GLN A1112 13.253 2.354 -13.989 1.00 0.00 H new ATOM 0 HB3 GLN A1112 12.690 3.598 -12.891 1.00 0.00 H new ATOM 0 HG2 GLN A1112 14.922 3.800 -11.903 1.00 0.00 H new ATOM 0 HG3 GLN A1112 15.508 2.465 -12.876 1.00 0.00 H new ATOM 0 HE21 GLN A1112 15.857 2.736 -15.123 1.00 0.00 H new ATOM 0 HE22 GLN A1112 15.950 4.344 -15.849 1.00 0.00 H new ATOM 698 N PRO A1113 13.066 1.402 -9.526 1.00 0.00 N ATOM 699 CA PRO A1113 12.900 1.794 -8.123 1.00 0.00 C ATOM 700 C PRO A1113 14.105 2.543 -7.561 1.00 0.00 C ATOM 701 O PRO A1113 14.218 2.731 -6.352 1.00 0.00 O ATOM 702 CB PRO A1113 12.717 0.459 -7.403 1.00 0.00 C ATOM 703 CG PRO A1113 13.432 -0.532 -8.251 1.00 0.00 C ATOM 704 CD PRO A1113 13.299 -0.049 -9.668 1.00 0.00 C ATOM 0 HA PRO A1113 12.067 2.486 -7.998 1.00 0.00 H new ATOM 0 HB2 PRO A1113 13.134 0.492 -6.396 1.00 0.00 H new ATOM 0 HB3 PRO A1113 11.662 0.205 -7.303 1.00 0.00 H new ATOM 0 HG2 PRO A1113 14.480 -0.606 -7.962 1.00 0.00 H new ATOM 0 HG3 PRO A1113 12.999 -1.526 -8.137 1.00 0.00 H new ATOM 0 HD2 PRO A1113 14.199 -0.255 -10.247 1.00 0.00 H new ATOM 0 HD3 PRO A1113 12.471 -0.539 -10.181 1.00 0.00 H new ATOM 712 N GLU A1114 15.011 2.949 -8.437 1.00 0.00 N ATOM 713 CA GLU A1114 16.132 3.779 -8.038 1.00 0.00 C ATOM 714 C GLU A1114 15.765 5.250 -8.212 1.00 0.00 C ATOM 715 O GLU A1114 16.275 6.122 -7.510 1.00 0.00 O ATOM 716 CB GLU A1114 17.374 3.427 -8.858 1.00 0.00 C ATOM 717 CG GLU A1114 18.618 4.185 -8.431 1.00 0.00 C ATOM 718 CD GLU A1114 19.863 3.705 -9.137 1.00 0.00 C ATOM 719 OE1 GLU A1114 20.172 4.226 -10.225 1.00 0.00 O ATOM 720 OE2 GLU A1114 20.537 2.798 -8.605 1.00 0.00 O ATOM 0 H GLU A1114 14.990 2.716 -9.430 1.00 0.00 H new ATOM 0 HA GLU A1114 16.360 3.596 -6.988 1.00 0.00 H new ATOM 0 HB2 GLU A1114 17.564 2.357 -8.774 1.00 0.00 H new ATOM 0 HB3 GLU A1114 17.176 3.634 -9.910 1.00 0.00 H new ATOM 0 HG2 GLU A1114 18.478 5.247 -8.632 1.00 0.00 H new ATOM 0 HG3 GLU A1114 18.752 4.079 -7.354 1.00 0.00 H new ATOM 727 N ARG A1115 14.849 5.513 -9.137 1.00 0.00 N ATOM 728 CA ARG A1115 14.365 6.864 -9.361 1.00 0.00 C ATOM 729 C ARG A1115 13.244 7.153 -8.375 1.00 0.00 C ATOM 730 O ARG A1115 12.069 6.907 -8.660 1.00 0.00 O ATOM 731 CB ARG A1115 13.857 7.041 -10.795 1.00 0.00 C ATOM 732 CG ARG A1115 14.076 8.440 -11.348 1.00 0.00 C ATOM 733 CD ARG A1115 13.190 8.713 -12.551 1.00 0.00 C ATOM 734 NE ARG A1115 13.282 7.673 -13.573 1.00 0.00 N ATOM 735 CZ ARG A1115 12.290 7.368 -14.411 1.00 0.00 C ATOM 736 NH1 ARG A1115 11.153 8.054 -14.383 1.00 0.00 N ATOM 737 NH2 ARG A1115 12.435 6.383 -15.283 1.00 0.00 N ATOM 0 H ARG A1115 14.429 4.807 -9.742 1.00 0.00 H new ATOM 0 HA ARG A1115 15.188 7.563 -9.211 1.00 0.00 H new ATOM 0 HB2 ARG A1115 14.359 6.321 -11.441 1.00 0.00 H new ATOM 0 HB3 ARG A1115 12.792 6.809 -10.826 1.00 0.00 H new ATOM 0 HG2 ARG A1115 13.870 9.175 -10.570 1.00 0.00 H new ATOM 0 HG3 ARG A1115 15.122 8.560 -11.631 1.00 0.00 H new ATOM 0 HD2 ARG A1115 12.155 8.800 -12.221 1.00 0.00 H new ATOM 0 HD3 ARG A1115 13.467 9.672 -12.990 1.00 0.00 H new ATOM 0 HE ARG A1115 14.155 7.150 -13.650 1.00 0.00 H new ATOM 0 HH11 ARG A1115 11.035 8.819 -13.718 1.00 0.00 H new ATOM 0 HH12 ARG A1115 10.398 7.816 -15.026 1.00 0.00 H new ATOM 0 HH21 ARG A1115 13.307 5.855 -15.315 1.00 0.00 H new ATOM 0 HH22 ARG A1115 11.675 6.152 -15.923 1.00 0.00 H new ATOM 751 N LYS A1116 13.614 7.637 -7.203 1.00 0.00 N ATOM 752 CA LYS A1116 12.647 7.936 -6.162 1.00 0.00 C ATOM 753 C LYS A1116 12.750 9.393 -5.754 1.00 0.00 C ATOM 754 O LYS A1116 13.598 10.127 -6.259 1.00 0.00 O ATOM 755 CB LYS A1116 12.880 7.065 -4.927 1.00 0.00 C ATOM 756 CG LYS A1116 13.185 5.614 -5.227 1.00 0.00 C ATOM 757 CD LYS A1116 13.244 4.791 -3.949 1.00 0.00 C ATOM 758 CE LYS A1116 14.280 5.338 -2.977 1.00 0.00 C ATOM 759 NZ LYS A1116 14.242 4.633 -1.671 1.00 0.00 N ATOM 0 H LYS A1116 14.582 7.832 -6.947 1.00 0.00 H new ATOM 0 HA LYS A1116 11.655 7.729 -6.564 1.00 0.00 H new ATOM 0 HB2 LYS A1116 13.706 7.485 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A1116 11.995 7.113 -4.293 1.00 0.00 H new ATOM 0 HG2 LYS A1116 12.421 5.208 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A1116 14.136 5.541 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A1116 12.264 4.787 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A1116 13.484 3.756 -4.193 1.00 0.00 H new ATOM 0 HE2 LYS A1116 15.274 5.240 -3.413 1.00 0.00 H new ATOM 0 HE3 LYS A1116 14.104 6.402 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A1116 14.963 5.035 -1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A1116 13.302 4.747 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A1116 14.435 3.622 -1.817 1.00 0.00 H new ATOM 773 N GLY A1117 11.885 9.810 -4.844 1.00 0.00 N ATOM 774 CA GLY A1117 12.004 11.140 -4.288 1.00 0.00 C ATOM 775 C GLY A1117 10.660 11.755 -3.982 1.00 0.00 C ATOM 776 O GLY A1117 9.658 11.043 -3.881 1.00 0.00 O ATOM 0 H GLY A1117 11.108 9.256 -4.483 1.00 0.00 H new ATOM 0 HA2 GLY A1117 12.598 11.098 -3.375 1.00 0.00 H new ATOM 0 HA3 GLY A1117 12.542 11.778 -4.989 1.00 0.00 H new ATOM 780 N VAL A1118 10.631 13.075 -3.834 1.00 0.00 N ATOM 781 CA VAL A1118 9.384 13.772 -3.571 1.00 0.00 C ATOM 782 C VAL A1118 8.721 14.182 -4.878 1.00 0.00 C ATOM 783 O VAL A1118 9.392 14.602 -5.826 1.00 0.00 O ATOM 784 CB VAL A1118 9.575 15.018 -2.674 1.00 0.00 C ATOM 785 CG1 VAL A1118 9.941 14.609 -1.259 1.00 0.00 C ATOM 786 CG2 VAL A1118 10.630 15.955 -3.245 1.00 0.00 C ATOM 0 H VAL A1118 11.452 13.677 -3.892 1.00 0.00 H new ATOM 0 HA VAL A1118 8.743 13.074 -3.031 1.00 0.00 H new ATOM 0 HB VAL A1118 8.627 15.555 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A1118 10.071 15.500 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A1118 9.145 13.993 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A1118 10.871 14.040 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A1118 10.740 16.820 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A1118 11.583 15.430 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A1118 10.324 16.286 -4.237 1.00 0.00 H new ATOM 796 N PHE A1119 7.412 14.028 -4.936 1.00 0.00 N ATOM 797 CA PHE A1119 6.659 14.394 -6.119 1.00 0.00 C ATOM 798 C PHE A1119 5.359 15.082 -5.733 1.00 0.00 C ATOM 799 O PHE A1119 4.659 14.649 -4.808 1.00 0.00 O ATOM 800 CB PHE A1119 6.392 13.164 -7.004 1.00 0.00 C ATOM 801 CG PHE A1119 5.726 12.000 -6.313 1.00 0.00 C ATOM 802 CD1 PHE A1119 6.472 11.089 -5.580 1.00 0.00 C ATOM 803 CD2 PHE A1119 4.358 11.794 -6.428 1.00 0.00 C ATOM 804 CE1 PHE A1119 5.867 10.004 -4.979 1.00 0.00 C ATOM 805 CE2 PHE A1119 3.752 10.709 -5.820 1.00 0.00 C ATOM 806 CZ PHE A1119 4.510 9.814 -5.096 1.00 0.00 C ATOM 0 H PHE A1119 6.847 13.651 -4.175 1.00 0.00 H new ATOM 0 HA PHE A1119 7.256 15.097 -6.700 1.00 0.00 H new ATOM 0 HB2 PHE A1119 5.769 13.471 -7.844 1.00 0.00 H new ATOM 0 HB3 PHE A1119 7.341 12.824 -7.419 1.00 0.00 H new ATOM 0 HD1 PHE A1119 7.538 11.230 -5.478 1.00 0.00 H new ATOM 0 HD2 PHE A1119 3.760 12.489 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE A1119 6.462 9.301 -4.414 1.00 0.00 H new ATOM 0 HE2 PHE A1119 2.686 10.563 -5.913 1.00 0.00 H new ATOM 0 HZ PHE A1119 4.039 8.966 -4.622 1.00 0.00 H new ATOM 816 N PRO A1120 5.043 16.192 -6.415 1.00 0.00 N ATOM 817 CA PRO A1120 3.812 16.932 -6.178 1.00 0.00 C ATOM 818 C PRO A1120 2.579 16.126 -6.566 1.00 0.00 C ATOM 819 O PRO A1120 2.425 15.701 -7.712 1.00 0.00 O ATOM 820 CB PRO A1120 3.946 18.180 -7.053 1.00 0.00 C ATOM 821 CG PRO A1120 4.980 17.849 -8.074 1.00 0.00 C ATOM 822 CD PRO A1120 5.878 16.809 -7.460 1.00 0.00 C ATOM 0 HA PRO A1120 3.680 17.169 -5.122 1.00 0.00 H new ATOM 0 HB2 PRO A1120 2.996 18.431 -7.525 1.00 0.00 H new ATOM 0 HB3 PRO A1120 4.245 19.044 -6.459 1.00 0.00 H new ATOM 0 HG2 PRO A1120 4.517 17.471 -8.985 1.00 0.00 H new ATOM 0 HG3 PRO A1120 5.549 18.737 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO A1120 6.202 16.075 -8.198 1.00 0.00 H new ATOM 0 HD3 PRO A1120 6.778 17.257 -7.039 1.00 0.00 H new ATOM 830 N VAL A1121 1.704 15.933 -5.596 1.00 0.00 N ATOM 831 CA VAL A1121 0.509 15.114 -5.762 1.00 0.00 C ATOM 832 C VAL A1121 -0.471 15.768 -6.733 1.00 0.00 C ATOM 833 O VAL A1121 -1.308 15.102 -7.344 1.00 0.00 O ATOM 834 CB VAL A1121 -0.164 14.885 -4.393 1.00 0.00 C ATOM 835 CG1 VAL A1121 -1.351 13.946 -4.499 1.00 0.00 C ATOM 836 CG2 VAL A1121 0.847 14.345 -3.401 1.00 0.00 C ATOM 0 H VAL A1121 1.799 16.340 -4.666 1.00 0.00 H new ATOM 0 HA VAL A1121 0.805 14.152 -6.180 1.00 0.00 H new ATOM 0 HB VAL A1121 -0.537 15.847 -4.041 1.00 0.00 H new ATOM 0 HG11 VAL A1121 -1.797 13.811 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A1121 -2.091 14.370 -5.177 1.00 0.00 H new ATOM 0 HG13 VAL A1121 -1.019 12.981 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A1121 0.363 14.187 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A1121 1.246 13.399 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A1121 1.661 15.061 -3.285 1.00 0.00 H new ATOM 846 N SER A1122 -0.337 17.070 -6.902 1.00 0.00 N ATOM 847 CA SER A1122 -1.200 17.823 -7.796 1.00 0.00 C ATOM 848 C SER A1122 -0.868 17.526 -9.265 1.00 0.00 C ATOM 849 O SER A1122 -1.523 18.027 -10.178 1.00 0.00 O ATOM 850 CB SER A1122 -1.034 19.311 -7.502 1.00 0.00 C ATOM 851 OG SER A1122 -0.906 19.535 -6.103 1.00 0.00 O ATOM 0 H SER A1122 0.368 17.634 -6.427 1.00 0.00 H new ATOM 0 HA SER A1122 -2.235 17.526 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A1122 -0.154 19.693 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A1122 -1.893 19.861 -7.886 1.00 0.00 H new ATOM 0 HG SER A1122 -0.799 20.494 -5.934 1.00 0.00 H new ATOM 857 N PHE A1123 0.153 16.702 -9.480 1.00 0.00 N ATOM 858 CA PHE A1123 0.605 16.360 -10.826 1.00 0.00 C ATOM 859 C PHE A1123 0.296 14.908 -11.174 1.00 0.00 C ATOM 860 O PHE A1123 0.603 14.447 -12.277 1.00 0.00 O ATOM 861 CB PHE A1123 2.118 16.580 -10.942 1.00 0.00 C ATOM 862 CG PHE A1123 2.537 18.009 -11.142 1.00 0.00 C ATOM 863 CD1 PHE A1123 2.192 18.994 -10.230 1.00 0.00 C ATOM 864 CD2 PHE A1123 3.281 18.363 -12.254 1.00 0.00 C ATOM 865 CE1 PHE A1123 2.583 20.304 -10.427 1.00 0.00 C ATOM 866 CE2 PHE A1123 3.674 19.666 -12.456 1.00 0.00 C ATOM 867 CZ PHE A1123 3.324 20.642 -11.542 1.00 0.00 C ATOM 0 H PHE A1123 0.687 16.256 -8.734 1.00 0.00 H new ATOM 0 HA PHE A1123 0.071 17.007 -11.522 1.00 0.00 H new ATOM 0 HB2 PHE A1123 2.596 16.200 -10.039 1.00 0.00 H new ATOM 0 HB3 PHE A1123 2.494 15.987 -11.776 1.00 0.00 H new ATOM 0 HD1 PHE A1123 1.612 18.735 -9.357 1.00 0.00 H new ATOM 0 HD2 PHE A1123 3.557 17.606 -12.973 1.00 0.00 H new ATOM 0 HE1 PHE A1123 2.309 21.063 -9.709 1.00 0.00 H new ATOM 0 HE2 PHE A1123 4.256 19.926 -13.328 1.00 0.00 H new ATOM 0 HZ PHE A1123 3.629 21.666 -11.699 1.00 0.00 H new ATOM 877 N VAL A1124 -0.307 14.181 -10.249 1.00 0.00 N ATOM 878 CA VAL A1124 -0.490 12.754 -10.443 1.00 0.00 C ATOM 879 C VAL A1124 -1.958 12.348 -10.363 1.00 0.00 C ATOM 880 O VAL A1124 -2.753 12.956 -9.649 1.00 0.00 O ATOM 881 CB VAL A1124 0.327 11.935 -9.421 1.00 0.00 C ATOM 882 CG1 VAL A1124 1.814 12.234 -9.551 1.00 0.00 C ATOM 883 CG2 VAL A1124 -0.151 12.204 -8.002 1.00 0.00 C ATOM 0 H VAL A1124 -0.673 14.548 -9.370 1.00 0.00 H new ATOM 0 HA VAL A1124 -0.127 12.534 -11.447 1.00 0.00 H new ATOM 0 HB VAL A1124 0.171 10.878 -9.638 1.00 0.00 H new ATOM 0 HG11 VAL A1124 2.369 11.645 -8.821 1.00 0.00 H new ATOM 0 HG12 VAL A1124 2.150 11.977 -10.555 1.00 0.00 H new ATOM 0 HG13 VAL A1124 1.989 13.295 -9.370 1.00 0.00 H new ATOM 0 HG21 VAL A1124 0.441 11.615 -7.301 1.00 0.00 H new ATOM 0 HG22 VAL A1124 -0.035 13.264 -7.774 1.00 0.00 H new ATOM 0 HG23 VAL A1124 -1.201 11.926 -7.913 1.00 0.00 H new ATOM 893 N HIS A1125 -2.303 11.329 -11.132 1.00 0.00 N ATOM 894 CA HIS A1125 -3.640 10.755 -11.119 1.00 0.00 C ATOM 895 C HIS A1125 -3.617 9.516 -10.228 1.00 0.00 C ATOM 896 O HIS A1125 -3.162 8.454 -10.641 1.00 0.00 O ATOM 897 CB HIS A1125 -4.040 10.392 -12.554 1.00 0.00 C ATOM 898 CG HIS A1125 -5.511 10.307 -12.807 1.00 0.00 C ATOM 899 ND1 HIS A1125 -6.161 11.093 -13.735 1.00 0.00 N ATOM 900 CD2 HIS A1125 -6.454 9.497 -12.282 1.00 0.00 C ATOM 901 CE1 HIS A1125 -7.435 10.770 -13.767 1.00 0.00 C ATOM 902 NE2 HIS A1125 -7.643 9.802 -12.894 1.00 0.00 N ATOM 0 H HIS A1125 -1.664 10.875 -11.784 1.00 0.00 H new ATOM 0 HA HIS A1125 -4.370 11.464 -10.728 1.00 0.00 H new ATOM 0 HB2 HIS A1125 -3.614 11.133 -13.230 1.00 0.00 H new ATOM 0 HB3 HIS A1125 -3.589 9.433 -12.807 1.00 0.00 H new ATOM 0 HD2 HIS A1125 -6.301 8.747 -11.520 1.00 0.00 H new ATOM 0 HE1 HIS A1125 -8.185 11.221 -14.401 1.00 0.00 H new ATOM 0 HE2 HIS A1125 -8.540 9.355 -12.706 1.00 0.00 H new ATOM 911 N ILE A1126 -4.095 9.667 -9.010 1.00 0.00 N ATOM 912 CA ILE A1126 -3.926 8.650 -7.978 1.00 0.00 C ATOM 913 C ILE A1126 -4.809 7.432 -8.225 1.00 0.00 C ATOM 914 O ILE A1126 -5.936 7.550 -8.715 1.00 0.00 O ATOM 915 CB ILE A1126 -4.247 9.241 -6.592 1.00 0.00 C ATOM 916 CG1 ILE A1126 -3.436 10.516 -6.367 1.00 0.00 C ATOM 917 CG2 ILE A1126 -3.974 8.227 -5.489 1.00 0.00 C ATOM 918 CD1 ILE A1126 -3.745 11.202 -5.061 1.00 0.00 C ATOM 0 H ILE A1126 -4.610 10.492 -8.703 1.00 0.00 H new ATOM 0 HA ILE A1126 -2.886 8.326 -8.013 1.00 0.00 H new ATOM 0 HB ILE A1126 -5.308 9.489 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A1126 -2.374 10.272 -6.398 1.00 0.00 H new ATOM 0 HG13 ILE A1126 -3.628 11.209 -7.186 1.00 0.00 H new ATOM 0 HG21 ILE A1126 -4.209 8.670 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A1126 -4.595 7.344 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A1126 -2.923 7.940 -5.511 1.00 0.00 H new ATOM 0 HD11 ILE A1126 -3.133 12.099 -4.968 1.00 0.00 H new ATOM 0 HD12 ILE A1126 -4.799 11.477 -5.035 1.00 0.00 H new ATOM 0 HD13 ILE A1126 -3.526 10.526 -4.234 1.00 0.00 H new ATOM 930 N LEU A1127 -4.277 6.264 -7.889 1.00 0.00 N ATOM 931 CA LEU A1127 -5.020 5.025 -7.999 1.00 0.00 C ATOM 932 C LEU A1127 -5.422 4.570 -6.606 1.00 0.00 C ATOM 933 O LEU A1127 -4.566 4.376 -5.742 1.00 0.00 O ATOM 934 CB LEU A1127 -4.169 3.933 -8.665 1.00 0.00 C ATOM 935 CG LEU A1127 -3.182 4.414 -9.736 1.00 0.00 C ATOM 936 CD1 LEU A1127 -2.440 3.236 -10.344 1.00 0.00 C ATOM 937 CD2 LEU A1127 -3.893 5.204 -10.827 1.00 0.00 C ATOM 0 H LEU A1127 -3.326 6.153 -7.536 1.00 0.00 H new ATOM 0 HA LEU A1127 -5.903 5.196 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A1127 -3.608 3.413 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A1127 -4.839 3.203 -9.118 1.00 0.00 H new ATOM 0 HG LEU A1127 -2.462 5.074 -9.252 1.00 0.00 H new ATOM 0 HD11 LEU A1127 -1.744 3.596 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A1127 -1.888 2.712 -9.564 1.00 0.00 H new ATOM 0 HD13 LEU A1127 -3.155 2.553 -10.803 1.00 0.00 H new ATOM 0 HD21 LEU A1127 -3.167 5.531 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A1127 -4.642 4.572 -11.304 1.00 0.00 H new ATOM 0 HD23 LEU A1127 -4.379 6.075 -10.387 1.00 0.00 H new ATOM 949 N SER A1128 -6.712 4.397 -6.385 1.00 0.00 N ATOM 950 CA SER A1128 -7.201 3.927 -5.099 1.00 0.00 C ATOM 951 C SER A1128 -7.188 2.403 -5.063 1.00 0.00 C ATOM 952 O SER A1128 -7.791 1.769 -4.191 1.00 0.00 O ATOM 953 CB SER A1128 -8.605 4.477 -4.843 1.00 0.00 C ATOM 954 OG SER A1128 -9.436 4.315 -5.984 1.00 0.00 O ATOM 0 H SER A1128 -7.440 4.574 -7.077 1.00 0.00 H new ATOM 0 HA SER A1128 -6.546 4.289 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A1128 -9.050 3.964 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A1128 -8.543 5.534 -4.582 1.00 0.00 H new ATOM 0 HG SER A1128 -10.328 4.673 -5.793 1.00 0.00 H new ATOM 960 N ASP A1129 -6.481 1.833 -6.027 1.00 0.00 N ATOM 961 CA ASP A1129 -6.348 0.394 -6.163 1.00 0.00 C ATOM 962 C ASP A1129 -4.988 -0.057 -5.658 1.00 0.00 C ATOM 963 O ASP A1129 -3.969 0.341 -6.263 1.00 0.00 O ATOM 964 CB ASP A1129 -6.527 -0.020 -7.622 1.00 0.00 C ATOM 965 CG ASP A1129 -6.256 -1.493 -7.841 1.00 0.00 C ATOM 966 OD1 ASP A1129 -6.947 -2.331 -7.226 1.00 0.00 O ATOM 967 OD2 ASP A1129 -5.365 -1.824 -8.652 1.00 0.00 O ATOM 968 OXT ASP A1129 -4.942 -0.802 -4.660 1.00 0.00 O ATOM 0 H ASP A1129 -5.980 2.362 -6.741 1.00 0.00 H new ATOM 0 HA ASP A1129 -7.124 -0.084 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A1129 -7.544 0.211 -7.940 1.00 0.00 H new ATOM 0 HB3 ASP A1129 -5.856 0.567 -8.249 1.00 0.00 H new TER 973 ASP A1129