USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 309 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 Set 1.1: A 111 SER OG : rot -129:sc= 1.28 USER MOD Set 1.2: A 113 SER OG : rot -65:sc= 0.776 USER MOD Single : A 83 SER OG : rot 180:sc= 0.0734 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 158:sc= 0 (180deg=-0.589) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 141:sc= -1.96 (180deg=-6.23!) USER MOD Single : A 115 SER OG : rot -65:sc= 0.29 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 TYR OH : rot -150:sc= 0.318 USER MOD Single : A 119 SER OG : rot -28:sc= 0.297 USER MOD Single : A 120 SER OG : rot -42:sc= 0.176 USER MOD Single : A 121 ASN : amide:sc= -0.394 X(o=-0.39,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 82 65.026 15.175 5.882 1.00 0.00 N ATOM 2 CA GLY A 82 63.980 16.166 5.507 1.00 0.00 C ATOM 3 C GLY A 82 62.593 15.555 5.460 1.00 0.00 C ATOM 4 O GLY A 82 62.234 14.887 4.491 1.00 0.00 O ATOM 0 HA2 GLY A 82 63.988 16.987 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 82 64.220 16.591 4.532 1.00 0.00 H new ATOM 10 N SER A 83 61.812 15.785 6.511 1.00 0.00 N ATOM 11 CA SER A 83 60.457 15.251 6.588 1.00 0.00 C ATOM 12 C SER A 83 59.601 15.767 5.434 1.00 0.00 C ATOM 13 O SER A 83 59.387 15.065 4.446 1.00 0.00 O ATOM 14 CB SER A 83 59.815 15.625 7.926 1.00 0.00 C ATOM 15 OG SER A 83 60.342 16.842 8.424 1.00 0.00 O ATOM 0 H SER A 83 62.094 16.337 7.321 1.00 0.00 H new ATOM 0 HA SER A 83 60.516 14.165 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 83 58.736 15.717 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 83 59.986 14.828 8.650 1.00 0.00 H new ATOM 0 HG SER A 83 59.914 17.059 9.278 1.00 0.00 H new ATOM 21 N GLY A 84 59.116 17.000 5.565 1.00 0.00 N ATOM 22 CA GLY A 84 58.289 17.590 4.526 1.00 0.00 C ATOM 23 C GLY A 84 57.150 16.684 4.097 1.00 0.00 C ATOM 24 O GLY A 84 56.455 16.110 4.934 1.00 0.00 O ATOM 0 H GLY A 84 59.281 17.601 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 84 57.880 18.534 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 84 58.910 17.820 3.660 1.00 0.00 H new ATOM 28 N SER A 85 56.962 16.556 2.787 1.00 0.00 N ATOM 29 CA SER A 85 55.904 15.713 2.244 1.00 0.00 C ATOM 30 C SER A 85 56.434 14.847 1.106 1.00 0.00 C ATOM 31 O SER A 85 55.762 14.654 0.092 1.00 0.00 O ATOM 32 CB SER A 85 54.740 16.574 1.747 1.00 0.00 C ATOM 33 OG SER A 85 55.206 17.653 0.956 1.00 0.00 O ATOM 0 H SER A 85 57.530 17.026 2.082 1.00 0.00 H new ATOM 0 HA SER A 85 55.547 15.060 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 85 54.053 15.961 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 85 54.179 16.959 2.598 1.00 0.00 H new ATOM 0 HG SER A 85 54.444 18.187 0.649 1.00 0.00 H new ATOM 39 N GLU A 86 57.645 14.329 1.281 1.00 0.00 N ATOM 40 CA GLU A 86 58.269 13.485 0.269 1.00 0.00 C ATOM 41 C GLU A 86 57.569 12.129 0.184 1.00 0.00 C ATOM 42 O GLU A 86 57.570 11.363 1.148 1.00 0.00 O ATOM 43 CB GLU A 86 59.752 13.287 0.589 1.00 0.00 C ATOM 44 CG GLU A 86 60.511 14.590 0.785 1.00 0.00 C ATOM 45 CD GLU A 86 61.451 14.895 -0.364 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.565 14.330 -0.386 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.074 15.699 -1.243 1.00 0.00 O ATOM 0 H GLU A 86 58.214 14.479 2.114 1.00 0.00 H new ATOM 0 HA GLU A 86 58.174 13.983 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 86 59.843 12.684 1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.218 12.723 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 59.799 15.408 0.894 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.081 14.538 1.712 1.00 0.00 H new ATOM 54 N PRO A 87 56.958 11.808 -0.972 1.00 0.00 N ATOM 55 CA PRO A 87 56.255 10.534 -1.164 1.00 0.00 C ATOM 56 C PRO A 87 57.186 9.332 -1.035 1.00 0.00 C ATOM 57 O PRO A 87 58.315 9.352 -1.526 1.00 0.00 O ATOM 58 CB PRO A 87 55.704 10.628 -2.593 1.00 0.00 C ATOM 59 CG PRO A 87 55.734 12.080 -2.930 1.00 0.00 C ATOM 60 CD PRO A 87 56.898 12.653 -2.176 1.00 0.00 C ATOM 0 HA PRO A 87 55.484 10.385 -0.408 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.313 10.050 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 87 54.690 10.231 -2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 87 55.852 12.230 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 87 54.803 12.567 -2.641 1.00 0.00 H new ATOM 0 HD2 PRO A 87 57.820 12.598 -2.754 1.00 0.00 H new ATOM 0 HD3 PRO A 87 56.740 13.702 -1.926 1.00 0.00 H new ATOM 68 N ALA A 88 56.702 8.286 -0.375 1.00 0.00 N ATOM 69 CA ALA A 88 57.484 7.071 -0.182 1.00 0.00 C ATOM 70 C ALA A 88 56.645 5.835 -0.486 1.00 0.00 C ATOM 71 O ALA A 88 55.535 5.688 0.023 1.00 0.00 O ATOM 72 CB ALA A 88 58.026 7.011 1.239 1.00 0.00 C ATOM 0 H ALA A 88 55.769 8.255 0.036 1.00 0.00 H new ATOM 0 HA ALA A 88 58.325 7.090 -0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 88 58.608 6.098 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.663 7.876 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 88 57.196 7.015 1.945 1.00 0.00 H new ATOM 78 N VAL A 89 57.183 4.950 -1.319 1.00 0.00 N ATOM 79 CA VAL A 89 56.482 3.727 -1.693 1.00 0.00 C ATOM 80 C VAL A 89 56.760 2.606 -0.698 1.00 0.00 C ATOM 81 O VAL A 89 57.908 2.376 -0.316 1.00 0.00 O ATOM 82 CB VAL A 89 56.890 3.256 -3.102 1.00 0.00 C ATOM 83 CG1 VAL A 89 55.989 2.123 -3.570 1.00 0.00 C ATOM 84 CG2 VAL A 89 56.855 4.415 -4.086 1.00 0.00 C ATOM 0 H VAL A 89 58.102 5.057 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 89 55.417 3.959 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 89 57.912 2.881 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 89 56.293 1.804 -4.567 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.072 1.283 -2.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 54.956 2.468 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 89 57.146 4.061 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 89 55.846 4.825 -4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 89 57.548 5.191 -3.759 1.00 0.00 H new ATOM 94 N CYS A 90 55.707 1.907 -0.283 1.00 0.00 N ATOM 95 CA CYS A 90 55.853 0.808 0.665 1.00 0.00 C ATOM 96 C CYS A 90 56.472 -0.409 -0.010 1.00 0.00 C ATOM 97 O CYS A 90 55.945 -0.927 -0.994 1.00 0.00 O ATOM 98 CB CYS A 90 54.507 0.432 1.278 1.00 0.00 C ATOM 99 SG CYS A 90 54.621 -0.872 2.523 1.00 0.00 S ATOM 0 H CYS A 90 54.749 2.081 -0.586 1.00 0.00 H new ATOM 0 HA CYS A 90 56.516 1.144 1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 90 54.063 1.318 1.731 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.833 0.108 0.485 1.00 0.00 H new ATOM 104 N GLU A 91 57.603 -0.845 0.524 1.00 0.00 N ATOM 105 CA GLU A 91 58.332 -1.986 -0.014 1.00 0.00 C ATOM 106 C GLU A 91 57.534 -3.289 0.068 1.00 0.00 C ATOM 107 O GLU A 91 57.775 -4.215 -0.707 1.00 0.00 O ATOM 108 CB GLU A 91 59.647 -2.149 0.751 1.00 0.00 C ATOM 109 CG GLU A 91 60.874 -1.716 -0.027 1.00 0.00 C ATOM 110 CD GLU A 91 60.931 -2.314 -1.420 1.00 0.00 C ATOM 111 OE1 GLU A 91 60.485 -1.641 -2.373 1.00 0.00 O ATOM 112 OE2 GLU A 91 61.422 -3.454 -1.557 1.00 0.00 O ATOM 0 H GLU A 91 58.041 -0.420 1.341 1.00 0.00 H new ATOM 0 HA GLU A 91 58.518 -1.786 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.592 -1.571 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.761 -3.195 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 91 60.885 -0.629 -0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 91 61.769 -2.006 0.524 1.00 0.00 H new ATOM 119 N MET A 92 56.607 -3.376 1.015 1.00 0.00 N ATOM 120 CA MET A 92 55.821 -4.596 1.187 1.00 0.00 C ATOM 121 C MET A 92 54.527 -4.584 0.376 1.00 0.00 C ATOM 122 O MET A 92 54.293 -5.475 -0.441 1.00 0.00 O ATOM 123 CB MET A 92 55.497 -4.806 2.667 1.00 0.00 C ATOM 124 CG MET A 92 55.195 -6.254 3.023 1.00 0.00 C ATOM 125 SD MET A 92 53.440 -6.550 3.315 1.00 0.00 S ATOM 126 CE MET A 92 53.256 -8.195 2.631 1.00 0.00 C ATOM 0 H MET A 92 56.381 -2.627 1.669 1.00 0.00 H new ATOM 0 HA MET A 92 56.430 -5.420 0.815 1.00 0.00 H new ATOM 0 HB2 MET A 92 56.339 -4.461 3.267 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.640 -4.188 2.934 1.00 0.00 H new ATOM 0 HG2 MET A 92 55.539 -6.901 2.216 1.00 0.00 H new ATOM 0 HG3 MET A 92 55.759 -6.529 3.914 1.00 0.00 H new ATOM 0 HE1 MET A 92 52.376 -8.672 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.139 -8.128 1.549 1.00 0.00 H new ATOM 0 HE3 MET A 92 54.141 -8.787 2.864 1.00 0.00 H new ATOM 136 N CYS A 93 53.678 -3.594 0.619 1.00 0.00 N ATOM 137 CA CYS A 93 52.398 -3.495 -0.074 1.00 0.00 C ATOM 138 C CYS A 93 52.522 -2.743 -1.397 1.00 0.00 C ATOM 139 O CYS A 93 51.816 -3.047 -2.359 1.00 0.00 O ATOM 140 CB CYS A 93 51.371 -2.801 0.827 1.00 0.00 C ATOM 141 SG CYS A 93 51.474 -3.269 2.575 1.00 0.00 S ATOM 0 H CYS A 93 53.852 -2.847 1.291 1.00 0.00 H new ATOM 0 HA CYS A 93 52.065 -4.508 -0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.502 -1.722 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 93 50.370 -3.030 0.460 1.00 0.00 H new ATOM 146 N GLY A 94 53.414 -1.759 -1.444 1.00 0.00 N ATOM 147 CA GLY A 94 53.594 -0.985 -2.660 1.00 0.00 C ATOM 148 C GLY A 94 52.745 0.270 -2.683 1.00 0.00 C ATOM 149 O GLY A 94 52.556 0.880 -3.735 1.00 0.00 O ATOM 0 H GLY A 94 54.013 -1.484 -0.666 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.644 -0.711 -2.760 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.343 -1.605 -3.521 1.00 0.00 H new ATOM 153 N ILE A 95 52.252 0.672 -1.516 1.00 0.00 N ATOM 154 CA ILE A 95 51.445 1.876 -1.402 1.00 0.00 C ATOM 155 C ILE A 95 52.336 3.062 -1.090 1.00 0.00 C ATOM 156 O ILE A 95 53.228 2.975 -0.248 1.00 0.00 O ATOM 157 CB ILE A 95 50.370 1.742 -0.306 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.586 0.442 -0.486 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.434 2.940 -0.334 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.791 0.388 -1.773 1.00 0.00 C ATOM 0 H ILE A 95 52.399 0.179 -0.635 1.00 0.00 H new ATOM 0 HA ILE A 95 50.939 2.027 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 95 50.864 1.714 0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 95 50.280 -0.398 -0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.906 0.318 0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.680 2.831 0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.005 3.852 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.945 2.997 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.260 -0.562 -1.833 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.072 1.207 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.467 0.480 -2.623 1.00 0.00 H new ATOM 172 N VAL A 96 52.111 4.158 -1.791 1.00 0.00 N ATOM 173 CA VAL A 96 52.913 5.353 -1.603 1.00 0.00 C ATOM 174 C VAL A 96 52.203 6.363 -0.707 1.00 0.00 C ATOM 175 O VAL A 96 51.001 6.593 -0.846 1.00 0.00 O ATOM 176 CB VAL A 96 53.242 6.005 -2.955 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.422 6.949 -2.815 1.00 0.00 C ATOM 178 CG2 VAL A 96 53.528 4.945 -4.010 1.00 0.00 C ATOM 0 H VAL A 96 51.379 4.246 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 96 53.840 5.050 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 96 52.374 6.581 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 96 54.642 7.402 -3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.180 7.730 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.293 6.393 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 96 53.758 5.429 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.378 4.339 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 96 52.653 4.307 -4.131 1.00 0.00 H new ATOM 188 N GLY A 97 52.955 6.973 0.208 1.00 0.00 N ATOM 189 CA GLY A 97 52.385 7.961 1.107 1.00 0.00 C ATOM 190 C GLY A 97 53.408 9.001 1.530 1.00 0.00 C ATOM 191 O GLY A 97 54.497 9.070 0.967 1.00 0.00 O ATOM 0 H GLY A 97 53.951 6.799 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.546 8.456 0.618 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.989 7.461 1.991 1.00 0.00 H new ATOM 195 N THR A 98 53.064 9.801 2.534 1.00 0.00 N ATOM 196 CA THR A 98 53.972 10.828 3.036 1.00 0.00 C ATOM 197 C THR A 98 54.590 10.394 4.363 1.00 0.00 C ATOM 198 O THR A 98 53.921 9.785 5.197 1.00 0.00 O ATOM 199 CB THR A 98 53.235 12.157 3.210 1.00 0.00 C ATOM 200 OG1 THR A 98 52.148 12.015 4.108 1.00 0.00 O ATOM 201 CG2 THR A 98 52.688 12.713 1.912 1.00 0.00 C ATOM 0 H THR A 98 52.166 9.759 3.015 1.00 0.00 H new ATOM 0 HA THR A 98 54.770 10.964 2.306 1.00 0.00 H new ATOM 0 HB THR A 98 53.980 12.851 3.599 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.691 12.876 4.207 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.177 13.656 2.107 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.508 12.882 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.984 12.002 1.480 1.00 0.00 H new ATOM 209 N ARG A 99 55.874 10.693 4.545 1.00 0.00 N ATOM 210 CA ARG A 99 56.597 10.321 5.762 1.00 0.00 C ATOM 211 C ARG A 99 55.790 10.600 7.031 1.00 0.00 C ATOM 212 O ARG A 99 55.853 9.833 7.992 1.00 0.00 O ATOM 213 CB ARG A 99 57.931 11.071 5.824 1.00 0.00 C ATOM 214 CG ARG A 99 59.141 10.182 5.581 1.00 0.00 C ATOM 215 CD ARG A 99 59.676 10.341 4.166 1.00 0.00 C ATOM 216 NE ARG A 99 59.989 9.052 3.553 1.00 0.00 N ATOM 217 CZ ARG A 99 60.954 8.242 3.980 1.00 0.00 C ATOM 218 NH1 ARG A 99 61.705 8.585 5.020 1.00 0.00 N ATOM 219 NH2 ARG A 99 61.170 7.087 3.367 1.00 0.00 N ATOM 0 H ARG A 99 56.440 11.195 3.861 1.00 0.00 H new ATOM 0 HA ARG A 99 56.772 9.246 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.923 11.871 5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.028 11.543 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 99 59.925 10.429 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.869 9.141 5.753 1.00 0.00 H new ATOM 0 HD2 ARG A 99 58.939 10.864 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 99 60.572 10.961 4.184 1.00 0.00 H new ATOM 0 HE ARG A 99 59.435 8.756 2.750 1.00 0.00 H new ATOM 0 HH11 ARG A 99 61.543 9.473 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 99 62.444 7.961 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 99 60.596 6.819 2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 99 61.910 6.466 3.695 1.00 0.00 H new ATOM 233 N GLU A 100 55.047 11.702 7.041 1.00 0.00 N ATOM 234 CA GLU A 100 54.250 12.073 8.210 1.00 0.00 C ATOM 235 C GLU A 100 52.947 11.275 8.300 1.00 0.00 C ATOM 236 O GLU A 100 52.098 11.560 9.143 1.00 0.00 O ATOM 237 CB GLU A 100 53.937 13.570 8.179 1.00 0.00 C ATOM 238 CG GLU A 100 55.058 14.438 8.725 1.00 0.00 C ATOM 239 CD GLU A 100 55.094 14.460 10.240 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.958 15.557 10.822 1.00 0.00 O ATOM 241 OE2 GLU A 100 55.257 13.380 10.846 1.00 0.00 O ATOM 0 H GLU A 100 54.979 12.352 6.258 1.00 0.00 H new ATOM 0 HA GLU A 100 54.843 11.837 9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.726 13.867 7.152 1.00 0.00 H new ATOM 0 HB3 GLU A 100 53.031 13.755 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 100 56.013 14.071 8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 100 54.938 15.456 8.353 1.00 0.00 H new ATOM 248 N ALA A 101 52.791 10.277 7.435 1.00 0.00 N ATOM 249 CA ALA A 101 51.588 9.452 7.434 1.00 0.00 C ATOM 250 C ALA A 101 51.927 7.975 7.619 1.00 0.00 C ATOM 251 O ALA A 101 51.159 7.221 8.217 1.00 0.00 O ATOM 252 CB ALA A 101 50.810 9.661 6.142 1.00 0.00 C ATOM 0 H ALA A 101 53.480 10.021 6.728 1.00 0.00 H new ATOM 0 HA ALA A 101 50.967 9.759 8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.914 9.040 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.524 10.709 6.055 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.434 9.383 5.293 1.00 0.00 H new ATOM 258 N PHE A 102 53.076 7.566 7.091 1.00 0.00 N ATOM 259 CA PHE A 102 53.512 6.177 7.185 1.00 0.00 C ATOM 260 C PHE A 102 54.003 5.833 8.588 1.00 0.00 C ATOM 261 O PHE A 102 54.311 6.718 9.387 1.00 0.00 O ATOM 262 CB PHE A 102 54.618 5.906 6.163 1.00 0.00 C ATOM 263 CG PHE A 102 54.102 5.384 4.851 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.844 4.478 4.110 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.872 5.795 4.362 1.00 0.00 C ATOM 266 CE1 PHE A 102 54.369 3.993 2.907 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.393 5.315 3.160 1.00 0.00 C ATOM 268 CZ PHE A 102 53.142 4.413 2.432 1.00 0.00 C ATOM 0 H PHE A 102 53.723 8.177 6.593 1.00 0.00 H new ATOM 0 HA PHE A 102 52.652 5.543 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.173 6.827 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.321 5.186 6.581 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.804 4.147 4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.281 6.500 4.929 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.956 3.287 2.339 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.434 5.645 2.790 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.769 4.036 1.491 1.00 0.00 H new ATOM 278 N PHE A 103 54.072 4.535 8.874 1.00 0.00 N ATOM 279 CA PHE A 103 54.526 4.048 10.172 1.00 0.00 C ATOM 280 C PHE A 103 55.916 4.598 10.492 1.00 0.00 C ATOM 281 O PHE A 103 56.933 3.996 10.148 1.00 0.00 O ATOM 282 CB PHE A 103 54.524 2.513 10.177 1.00 0.00 C ATOM 283 CG PHE A 103 54.819 1.892 11.514 1.00 0.00 C ATOM 284 CD1 PHE A 103 55.542 0.713 11.596 1.00 0.00 C ATOM 285 CD2 PHE A 103 54.359 2.475 12.684 1.00 0.00 C ATOM 286 CE1 PHE A 103 55.803 0.127 12.820 1.00 0.00 C ATOM 287 CE2 PHE A 103 54.619 1.894 13.911 1.00 0.00 C ATOM 288 CZ PHE A 103 55.341 0.718 13.979 1.00 0.00 C ATOM 0 H PHE A 103 53.817 3.797 8.218 1.00 0.00 H new ATOM 0 HA PHE A 103 53.844 4.398 10.946 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.550 2.163 9.835 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.261 2.159 9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 103 55.906 0.246 10.693 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.792 3.393 12.637 1.00 0.00 H new ATOM 0 HE1 PHE A 103 56.368 -0.792 12.870 1.00 0.00 H new ATOM 0 HE2 PHE A 103 54.258 2.359 14.816 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.544 0.262 14.937 1.00 0.00 H new ATOM 298 N SER A 104 55.938 5.764 11.137 1.00 0.00 N ATOM 299 CA SER A 104 57.183 6.444 11.502 1.00 0.00 C ATOM 300 C SER A 104 58.246 5.480 12.023 1.00 0.00 C ATOM 301 O SER A 104 59.441 5.710 11.839 1.00 0.00 O ATOM 302 CB SER A 104 56.902 7.518 12.554 1.00 0.00 C ATOM 303 OG SER A 104 55.924 8.436 12.098 1.00 0.00 O ATOM 0 H SER A 104 55.096 6.264 11.421 1.00 0.00 H new ATOM 0 HA SER A 104 57.576 6.902 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 104 56.561 7.047 13.476 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.823 8.051 12.789 1.00 0.00 H new ATOM 0 HG SER A 104 55.761 9.111 12.790 1.00 0.00 H new ATOM 309 N LYS A 105 57.812 4.409 12.679 1.00 0.00 N ATOM 310 CA LYS A 105 58.739 3.422 13.231 1.00 0.00 C ATOM 311 C LYS A 105 59.819 3.048 12.218 1.00 0.00 C ATOM 312 O LYS A 105 61.004 3.002 12.548 1.00 0.00 O ATOM 313 CB LYS A 105 57.981 2.170 13.667 1.00 0.00 C ATOM 314 CG LYS A 105 58.724 1.337 14.698 1.00 0.00 C ATOM 315 CD LYS A 105 58.613 1.943 16.088 1.00 0.00 C ATOM 316 CE LYS A 105 57.592 1.204 16.938 1.00 0.00 C ATOM 317 NZ LYS A 105 57.915 1.285 18.390 1.00 0.00 N ATOM 0 H LYS A 105 56.827 4.201 12.842 1.00 0.00 H new ATOM 0 HA LYS A 105 59.225 3.869 14.098 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.015 2.465 14.078 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.780 1.554 12.791 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.321 0.324 14.708 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.774 1.259 14.416 1.00 0.00 H new ATOM 0 HD2 LYS A 105 59.586 1.913 16.578 1.00 0.00 H new ATOM 0 HD3 LYS A 105 58.329 2.992 16.007 1.00 0.00 H new ATOM 0 HE2 LYS A 105 56.602 1.624 16.762 1.00 0.00 H new ATOM 0 HE3 LYS A 105 57.554 0.158 16.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 57.195 0.769 18.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 58.849 0.862 18.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 57.926 2.281 18.688 1.00 0.00 H new ATOM 331 N THR A 106 59.401 2.783 10.985 1.00 0.00 N ATOM 332 CA THR A 106 60.334 2.416 9.926 1.00 0.00 C ATOM 333 C THR A 106 60.222 3.371 8.741 1.00 0.00 C ATOM 334 O THR A 106 61.223 3.703 8.107 1.00 0.00 O ATOM 335 CB THR A 106 60.076 0.981 9.464 1.00 0.00 C ATOM 336 OG1 THR A 106 58.695 0.674 9.526 1.00 0.00 O ATOM 337 CG2 THR A 106 60.814 -0.054 10.286 1.00 0.00 C ATOM 0 H THR A 106 58.424 2.815 10.695 1.00 0.00 H new ATOM 0 HA THR A 106 61.344 2.486 10.330 1.00 0.00 H new ATOM 0 HB THR A 106 60.444 0.937 8.439 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.551 -0.247 9.225 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.587 -1.050 9.906 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.887 0.125 10.218 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.500 0.017 11.327 1.00 0.00 H new ATOM 345 N LYS A 107 58.994 3.801 8.446 1.00 0.00 N ATOM 346 CA LYS A 107 58.722 4.719 7.335 1.00 0.00 C ATOM 347 C LYS A 107 58.727 3.994 5.989 1.00 0.00 C ATOM 348 O LYS A 107 57.930 4.311 5.106 1.00 0.00 O ATOM 349 CB LYS A 107 59.720 5.883 7.314 1.00 0.00 C ATOM 350 CG LYS A 107 59.561 6.839 8.486 1.00 0.00 C ATOM 351 CD LYS A 107 58.437 7.835 8.243 1.00 0.00 C ATOM 352 CE LYS A 107 58.761 9.203 8.827 1.00 0.00 C ATOM 353 NZ LYS A 107 60.141 9.645 8.481 1.00 0.00 N ATOM 0 H LYS A 107 58.162 3.525 8.967 1.00 0.00 H new ATOM 0 HA LYS A 107 57.723 5.125 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.734 5.482 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 107 59.599 6.438 6.384 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.357 6.272 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 107 60.496 7.376 8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 107 58.260 7.929 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.515 7.459 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.043 9.935 8.457 1.00 0.00 H new ATOM 0 HE3 LYS A 107 58.652 9.169 9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.138 10.664 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 60.777 9.455 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.473 9.124 7.644 1.00 0.00 H new ATOM 367 N ARG A 108 59.617 3.019 5.834 1.00 0.00 N ATOM 368 CA ARG A 108 59.701 2.257 4.593 1.00 0.00 C ATOM 369 C ARG A 108 58.397 1.509 4.339 1.00 0.00 C ATOM 370 O ARG A 108 57.989 1.319 3.193 1.00 0.00 O ATOM 371 CB ARG A 108 60.868 1.271 4.651 1.00 0.00 C ATOM 372 CG ARG A 108 62.218 1.910 4.369 1.00 0.00 C ATOM 373 CD ARG A 108 63.316 1.290 5.217 1.00 0.00 C ATOM 374 NE ARG A 108 63.205 1.674 6.622 1.00 0.00 N ATOM 375 CZ ARG A 108 63.923 1.125 7.599 1.00 0.00 C ATOM 376 NH1 ARG A 108 64.803 0.169 7.329 1.00 0.00 N ATOM 377 NH2 ARG A 108 63.760 1.533 8.850 1.00 0.00 N ATOM 0 H ARG A 108 60.288 2.739 6.549 1.00 0.00 H new ATOM 0 HA ARG A 108 59.871 2.954 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.893 0.808 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.695 0.473 3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.463 1.794 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 108 62.164 2.980 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.269 0.204 5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 108 64.288 1.598 4.833 1.00 0.00 H new ATOM 0 HE ARG A 108 62.538 2.406 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.932 -0.149 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.350 -0.248 8.082 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.085 2.267 9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.310 1.113 9.599 1.00 0.00 H new ATOM 391 N PHE A 109 57.744 1.097 5.421 1.00 0.00 N ATOM 392 CA PHE A 109 56.479 0.379 5.331 1.00 0.00 C ATOM 393 C PHE A 109 55.353 1.211 5.927 1.00 0.00 C ATOM 394 O PHE A 109 55.468 1.715 7.044 1.00 0.00 O ATOM 395 CB PHE A 109 56.564 -0.950 6.072 1.00 0.00 C ATOM 396 CG PHE A 109 57.666 -1.853 5.586 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.777 -2.199 4.245 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.595 -2.360 6.480 1.00 0.00 C ATOM 399 CE1 PHE A 109 58.792 -3.030 3.813 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.612 -3.191 6.052 1.00 0.00 C ATOM 401 CZ PHE A 109 59.710 -3.527 4.717 1.00 0.00 C ATOM 0 H PHE A 109 58.073 1.249 6.374 1.00 0.00 H new ATOM 0 HA PHE A 109 56.273 0.191 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.711 -0.753 7.134 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.612 -1.471 5.973 1.00 0.00 H new ATOM 0 HD1 PHE A 109 57.062 -1.814 3.533 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.523 -2.102 7.526 1.00 0.00 H new ATOM 0 HE1 PHE A 109 58.868 -3.291 2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.329 -3.577 6.761 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.503 -4.178 4.380 1.00 0.00 H new ATOM 411 N CYS A 110 54.266 1.354 5.180 1.00 0.00 N ATOM 412 CA CYS A 110 53.128 2.130 5.648 1.00 0.00 C ATOM 413 C CYS A 110 52.737 1.726 7.070 1.00 0.00 C ATOM 414 O CYS A 110 52.771 2.551 7.979 1.00 0.00 O ATOM 415 CB CYS A 110 51.932 1.989 4.694 1.00 0.00 C ATOM 416 SG CYS A 110 51.664 0.323 4.046 1.00 0.00 S ATOM 0 H CYS A 110 54.150 0.945 4.253 1.00 0.00 H new ATOM 0 HA CYS A 110 53.425 3.179 5.663 1.00 0.00 H new ATOM 0 HB2 CYS A 110 51.030 2.309 5.216 1.00 0.00 H new ATOM 0 HB3 CYS A 110 52.073 2.671 3.855 1.00 0.00 H new ATOM 421 N SER A 111 52.322 0.474 7.253 1.00 0.00 N ATOM 422 CA SER A 111 51.884 0.007 8.568 1.00 0.00 C ATOM 423 C SER A 111 52.898 -0.924 9.222 1.00 0.00 C ATOM 424 O SER A 111 53.808 -1.434 8.573 1.00 0.00 O ATOM 425 CB SER A 111 50.545 -0.722 8.440 1.00 0.00 C ATOM 426 OG SER A 111 50.735 -2.077 8.062 1.00 0.00 O ATOM 0 H SER A 111 52.280 -0.230 6.516 1.00 0.00 H new ATOM 0 HA SER A 111 51.781 0.887 9.203 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.011 -0.677 9.389 1.00 0.00 H new ATOM 0 HB3 SER A 111 49.923 -0.219 7.700 1.00 0.00 H new ATOM 0 HG SER A 111 50.166 -2.285 7.291 1.00 0.00 H new ATOM 432 N VAL A 112 52.715 -1.153 10.519 1.00 0.00 N ATOM 433 CA VAL A 112 53.590 -2.041 11.266 1.00 0.00 C ATOM 434 C VAL A 112 53.346 -3.488 10.848 1.00 0.00 C ATOM 435 O VAL A 112 54.234 -4.334 10.945 1.00 0.00 O ATOM 436 CB VAL A 112 53.373 -1.904 12.787 1.00 0.00 C ATOM 437 CG1 VAL A 112 51.947 -2.277 13.163 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.375 -2.756 13.551 1.00 0.00 C ATOM 0 H VAL A 112 51.967 -0.734 11.072 1.00 0.00 H new ATOM 0 HA VAL A 112 54.618 -1.758 11.040 1.00 0.00 H new ATOM 0 HB VAL A 112 53.534 -0.862 13.063 1.00 0.00 H new ATOM 0 HG11 VAL A 112 51.816 -2.173 14.240 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.250 -1.616 12.647 1.00 0.00 H new ATOM 0 HG13 VAL A 112 51.752 -3.309 12.871 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.205 -2.645 14.622 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.252 -3.802 13.270 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.387 -2.432 13.309 1.00 0.00 H new ATOM 448 N SER A 113 52.131 -3.759 10.371 1.00 0.00 N ATOM 449 CA SER A 113 51.766 -5.096 9.923 1.00 0.00 C ATOM 450 C SER A 113 52.561 -5.469 8.679 1.00 0.00 C ATOM 451 O SER A 113 53.246 -6.492 8.650 1.00 0.00 O ATOM 452 CB SER A 113 50.266 -5.169 9.628 1.00 0.00 C ATOM 453 OG SER A 113 49.940 -4.438 8.458 1.00 0.00 O ATOM 0 H SER A 113 51.385 -3.068 10.286 1.00 0.00 H new ATOM 0 HA SER A 113 52.001 -5.804 10.718 1.00 0.00 H new ATOM 0 HB2 SER A 113 49.967 -6.210 9.506 1.00 0.00 H new ATOM 0 HB3 SER A 113 49.706 -4.774 10.475 1.00 0.00 H new ATOM 0 HG SER A 113 50.118 -3.486 8.607 1.00 0.00 H new ATOM 459 N CYS A 114 52.478 -4.623 7.654 1.00 0.00 N ATOM 460 CA CYS A 114 53.207 -4.865 6.414 1.00 0.00 C ATOM 461 C CYS A 114 54.711 -4.941 6.686 1.00 0.00 C ATOM 462 O CYS A 114 55.466 -5.519 5.903 1.00 0.00 O ATOM 463 CB CYS A 114 52.903 -3.766 5.387 1.00 0.00 C ATOM 464 SG CYS A 114 53.435 -2.125 5.878 1.00 0.00 S ATOM 0 H CYS A 114 51.918 -3.771 7.658 1.00 0.00 H new ATOM 0 HA CYS A 114 52.880 -5.820 6.003 1.00 0.00 H new ATOM 0 HB2 CYS A 114 53.385 -4.024 4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 114 51.829 -3.746 5.201 1.00 0.00 H new ATOM 469 N SER A 115 55.136 -4.367 7.813 1.00 0.00 N ATOM 470 CA SER A 115 56.544 -4.381 8.199 1.00 0.00 C ATOM 471 C SER A 115 56.928 -5.742 8.773 1.00 0.00 C ATOM 472 O SER A 115 57.895 -6.371 8.326 1.00 0.00 O ATOM 473 CB SER A 115 56.827 -3.280 9.225 1.00 0.00 C ATOM 474 OG SER A 115 56.587 -3.733 10.546 1.00 0.00 O ATOM 0 H SER A 115 54.524 -3.887 8.473 1.00 0.00 H new ATOM 0 HA SER A 115 57.145 -4.195 7.309 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.862 -2.952 9.133 1.00 0.00 H new ATOM 0 HB3 SER A 115 56.199 -2.414 9.015 1.00 0.00 H new ATOM 0 HG SER A 115 55.633 -3.926 10.657 1.00 0.00 H new ATOM 480 N ARG A 116 56.144 -6.218 9.737 1.00 0.00 N ATOM 481 CA ARG A 116 56.394 -7.522 10.331 1.00 0.00 C ATOM 482 C ARG A 116 56.197 -8.603 9.278 1.00 0.00 C ATOM 483 O ARG A 116 56.709 -9.715 9.406 1.00 0.00 O ATOM 484 CB ARG A 116 55.467 -7.765 11.523 1.00 0.00 C ATOM 485 CG ARG A 116 53.991 -7.644 11.186 1.00 0.00 C ATOM 486 CD ARG A 116 53.124 -8.286 12.258 1.00 0.00 C ATOM 487 NE ARG A 116 52.885 -7.382 13.382 1.00 0.00 N ATOM 488 CZ ARG A 116 51.809 -6.605 13.500 1.00 0.00 C ATOM 489 NH1 ARG A 116 50.866 -6.608 12.565 1.00 0.00 N ATOM 490 NH2 ARG A 116 51.676 -5.818 14.559 1.00 0.00 N ATOM 0 H ARG A 116 55.338 -5.723 10.119 1.00 0.00 H new ATOM 0 HA ARG A 116 57.421 -7.553 10.694 1.00 0.00 H new ATOM 0 HB2 ARG A 116 55.658 -8.761 11.923 1.00 0.00 H new ATOM 0 HB3 ARG A 116 55.710 -7.053 12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 116 53.725 -6.592 11.082 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.795 -8.119 10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 116 52.170 -8.584 11.823 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.607 -9.194 12.619 1.00 0.00 H new ATOM 0 HE ARG A 116 53.586 -7.344 14.122 1.00 0.00 H new ATOM 0 HH11 ARG A 116 50.961 -7.209 11.746 1.00 0.00 H new ATOM 0 HH12 ARG A 116 50.046 -6.009 12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 116 52.396 -5.808 15.281 1.00 0.00 H new ATOM 0 HH22 ARG A 116 50.853 -5.222 14.652 1.00 0.00 H new ATOM 504 N SER A 117 55.475 -8.249 8.216 1.00 0.00 N ATOM 505 CA SER A 117 55.240 -9.167 7.120 1.00 0.00 C ATOM 506 C SER A 117 56.512 -9.292 6.297 1.00 0.00 C ATOM 507 O SER A 117 57.020 -10.388 6.090 1.00 0.00 O ATOM 508 CB SER A 117 54.086 -8.676 6.243 1.00 0.00 C ATOM 509 OG SER A 117 52.855 -9.246 6.653 1.00 0.00 O ATOM 0 H SER A 117 55.046 -7.331 8.098 1.00 0.00 H new ATOM 0 HA SER A 117 54.966 -10.143 7.521 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.022 -7.589 6.295 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.281 -8.934 5.202 1.00 0.00 H new ATOM 0 HG SER A 117 52.134 -8.915 6.078 1.00 0.00 H new ATOM 515 N TYR A 118 57.036 -8.153 5.852 1.00 0.00 N ATOM 516 CA TYR A 118 58.268 -8.127 5.071 1.00 0.00 C ATOM 517 C TYR A 118 59.409 -8.786 5.840 1.00 0.00 C ATOM 518 O TYR A 118 60.354 -9.305 5.248 1.00 0.00 O ATOM 519 CB TYR A 118 58.640 -6.677 4.742 1.00 0.00 C ATOM 520 CG TYR A 118 59.458 -6.518 3.478 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.684 -7.154 3.329 1.00 0.00 C ATOM 522 CD2 TYR A 118 59.001 -5.727 2.433 1.00 0.00 C ATOM 523 CE1 TYR A 118 61.429 -7.007 2.175 1.00 0.00 C ATOM 524 CE2 TYR A 118 59.740 -5.574 1.279 1.00 0.00 C ATOM 525 CZ TYR A 118 60.953 -6.216 1.153 1.00 0.00 C ATOM 526 OH TYR A 118 61.691 -6.066 0.002 1.00 0.00 O ATOM 0 H TYR A 118 56.625 -7.235 6.020 1.00 0.00 H new ATOM 0 HA TYR A 118 58.104 -8.683 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.725 -6.092 4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.199 -6.258 5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 118 61.061 -7.774 4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 118 58.050 -5.223 2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 118 62.380 -7.510 2.075 1.00 0.00 H new ATOM 0 HE2 TYR A 118 59.370 -4.953 0.477 1.00 0.00 H new ATOM 0 HH TYR A 118 61.513 -5.185 -0.388 1.00 0.00 H new ATOM 536 N SER A 119 59.314 -8.766 7.166 1.00 0.00 N ATOM 537 CA SER A 119 60.346 -9.363 8.007 1.00 0.00 C ATOM 538 C SER A 119 60.122 -10.862 8.213 1.00 0.00 C ATOM 539 O SER A 119 61.078 -11.623 8.359 1.00 0.00 O ATOM 540 CB SER A 119 60.392 -8.657 9.364 1.00 0.00 C ATOM 541 OG SER A 119 59.280 -9.016 10.164 1.00 0.00 O ATOM 0 H SER A 119 58.539 -8.346 7.679 1.00 0.00 H new ATOM 0 HA SER A 119 61.299 -9.236 7.492 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.315 -8.917 9.882 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.403 -7.577 9.215 1.00 0.00 H new ATOM 0 HG SER A 119 58.524 -9.252 9.587 1.00 0.00 H new ATOM 547 N SER A 120 58.860 -11.278 8.252 1.00 0.00 N ATOM 548 CA SER A 120 58.531 -12.687 8.475 1.00 0.00 C ATOM 549 C SER A 120 58.091 -13.413 7.199 1.00 0.00 C ATOM 550 O SER A 120 57.912 -14.630 7.213 1.00 0.00 O ATOM 551 CB SER A 120 57.433 -12.802 9.533 1.00 0.00 C ATOM 552 OG SER A 120 57.329 -14.129 10.019 1.00 0.00 O ATOM 0 H SER A 120 58.052 -10.667 8.133 1.00 0.00 H new ATOM 0 HA SER A 120 59.445 -13.171 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.648 -12.125 10.360 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.479 -12.492 9.107 1.00 0.00 H new ATOM 0 HG SER A 120 57.400 -14.758 9.271 1.00 0.00 H new ATOM 558 N ASN A 121 57.891 -12.679 6.108 1.00 0.00 N ATOM 559 CA ASN A 121 57.442 -13.295 4.859 1.00 0.00 C ATOM 560 C ASN A 121 58.602 -13.768 3.988 1.00 0.00 C ATOM 561 O ASN A 121 58.379 -14.293 2.897 1.00 0.00 O ATOM 562 CB ASN A 121 56.569 -12.325 4.060 1.00 0.00 C ATOM 563 CG ASN A 121 55.096 -12.463 4.391 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.330 -13.053 3.629 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.691 -11.918 5.532 1.00 0.00 N ATOM 0 H ASN A 121 58.030 -11.670 6.061 1.00 0.00 H new ATOM 0 HA ASN A 121 56.858 -14.171 5.141 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.889 -11.303 4.261 1.00 0.00 H new ATOM 0 HB3 ASN A 121 56.717 -12.501 2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.711 -11.979 5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 121 55.360 -11.438 6.134 1.00 0.00 H new ATOM 572 N SER A 122 59.836 -13.589 4.450 1.00 0.00 N ATOM 573 CA SER A 122 60.997 -14.014 3.675 1.00 0.00 C ATOM 574 C SER A 122 61.060 -13.283 2.338 1.00 0.00 C ATOM 575 O SER A 122 60.680 -13.829 1.302 1.00 0.00 O ATOM 576 CB SER A 122 60.961 -15.526 3.444 1.00 0.00 C ATOM 577 OG SER A 122 61.308 -16.232 4.623 1.00 0.00 O ATOM 0 H SER A 122 60.057 -13.157 5.347 1.00 0.00 H new ATOM 0 HA SER A 122 61.891 -13.764 4.246 1.00 0.00 H new ATOM 0 HB2 SER A 122 59.964 -15.823 3.119 1.00 0.00 H new ATOM 0 HB3 SER A 122 61.650 -15.791 2.642 1.00 0.00 H new ATOM 0 HG SER A 122 61.276 -17.196 4.449 1.00 0.00 H new ATOM 583 N LYS A 123 61.546 -12.046 2.369 1.00 0.00 N ATOM 584 CA LYS A 123 61.666 -11.236 1.160 1.00 0.00 C ATOM 585 C LYS A 123 60.344 -11.179 0.398 1.00 0.00 C ATOM 586 O LYS A 123 60.107 -11.971 -0.514 1.00 0.00 O ATOM 587 CB LYS A 123 62.765 -11.795 0.255 1.00 0.00 C ATOM 588 CG LYS A 123 63.285 -10.790 -0.762 1.00 0.00 C ATOM 589 CD LYS A 123 64.768 -10.513 -0.570 1.00 0.00 C ATOM 590 CE LYS A 123 65.479 -10.336 -1.901 1.00 0.00 C ATOM 591 NZ LYS A 123 66.960 -10.367 -1.749 1.00 0.00 N ATOM 0 H LYS A 123 61.864 -11.581 3.220 1.00 0.00 H new ATOM 0 HA LYS A 123 61.929 -10.222 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 123 63.595 -12.136 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 123 62.381 -12.668 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 123 63.113 -11.169 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 123 62.726 -9.859 -0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 123 64.896 -9.615 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 123 65.224 -11.335 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 123 65.168 -11.125 -2.586 1.00 0.00 H new ATOM 0 HE3 LYS A 123 65.180 -9.388 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 67.407 -10.243 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 67.260 -9.599 -1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 67.249 -11.281 -1.345 1.00 0.00 H new ATOM 605 N LYS A 124 59.488 -10.235 0.776 1.00 0.00 N ATOM 606 CA LYS A 124 58.193 -10.073 0.126 1.00 0.00 C ATOM 607 C LYS A 124 57.497 -8.804 0.608 1.00 0.00 C ATOM 608 O LYS A 124 57.270 -7.902 -0.225 1.00 0.00 O ATOM 609 CB LYS A 124 57.306 -11.290 0.396 1.00 0.00 C ATOM 610 CG LYS A 124 56.309 -11.573 -0.717 1.00 0.00 C ATOM 611 CD LYS A 124 57.012 -11.912 -2.021 1.00 0.00 C ATOM 612 CE LYS A 124 56.054 -12.530 -3.026 1.00 0.00 C ATOM 613 NZ LYS A 124 56.674 -12.666 -4.374 1.00 0.00 N ATOM 614 OXT LYS A 124 57.184 -8.723 1.815 1.00 0.00 O ATOM 0 H LYS A 124 59.668 -9.571 1.529 1.00 0.00 H new ATOM 0 HA LYS A 124 58.362 -9.988 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 124 57.938 -12.166 0.538 1.00 0.00 H new ATOM 0 HB3 LYS A 124 56.763 -11.134 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 124 55.662 -12.400 -0.426 1.00 0.00 H new ATOM 0 HG3 LYS A 124 55.668 -10.703 -0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 124 57.452 -11.009 -2.444 1.00 0.00 H new ATOM 0 HD3 LYS A 124 57.831 -12.604 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 124 55.739 -13.511 -2.671 1.00 0.00 H new ATOM 0 HE3 LYS A 124 55.158 -11.914 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 55.988 -13.091 -5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 56.952 -11.727 -4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 57.515 -13.275 -4.310 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 52.797 -1.675 3.681 1.00 0.00 ZN