USER MOD reduce.3.24.130724 H: found=0, std=0, add=306, rem=0, adj=14 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 127:sc= 0.475 USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0.68 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) 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+ -177:sc= -0.751 (180deg=-0.785) USER MOD Single : A 115 SER OG : rot -85:sc= 0.966 USER MOD Single : A 117 SER OG : rot 87:sc= 1.2 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -44:sc= 0.409 USER MOD Single : A 121 ASN : amide:sc= 0.991 K(o=0.99,f=-0.61) 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 56.774 23.564 0.259 1.00 0.00 N ATOM 2 CA GLY A 82 56.205 22.996 1.512 1.00 0.00 C ATOM 3 C GLY A 82 57.234 22.230 2.320 1.00 0.00 C ATOM 4 O GLY A 82 57.585 22.631 3.430 1.00 0.00 O ATOM 0 HA2 GLY A 82 55.797 23.803 2.121 1.00 0.00 H new ATOM 0 HA3 GLY A 82 55.376 22.333 1.263 1.00 0.00 H new ATOM 10 N SER A 83 57.717 21.123 1.764 1.00 0.00 N ATOM 11 CA SER A 83 58.711 20.296 2.439 1.00 0.00 C ATOM 12 C SER A 83 58.114 19.631 3.676 1.00 0.00 C ATOM 13 O SER A 83 57.164 20.142 4.270 1.00 0.00 O ATOM 14 CB SER A 83 59.928 21.136 2.833 1.00 0.00 C ATOM 15 OG SER A 83 61.081 20.326 2.984 1.00 0.00 O ATOM 0 H SER A 83 57.435 20.778 0.846 1.00 0.00 H new ATOM 0 HA SER A 83 59.029 19.517 1.746 1.00 0.00 H new ATOM 0 HB2 SER A 83 60.111 21.896 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 83 59.724 21.661 3.766 1.00 0.00 H new ATOM 0 HG SER A 83 61.845 20.887 3.234 1.00 0.00 H new ATOM 21 N GLY A 84 58.677 18.490 4.058 1.00 0.00 N ATOM 22 CA GLY A 84 58.187 17.775 5.222 1.00 0.00 C ATOM 23 C GLY A 84 57.139 16.736 4.868 1.00 0.00 C ATOM 24 O GLY A 84 56.347 16.330 5.718 1.00 0.00 O ATOM 0 H GLY A 84 59.464 18.048 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 84 59.023 17.287 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 84 57.763 18.487 5.930 1.00 0.00 H new ATOM 28 N SER A 85 57.134 16.305 3.610 1.00 0.00 N ATOM 29 CA SER A 85 56.176 15.308 3.147 1.00 0.00 C ATOM 30 C SER A 85 56.814 14.391 2.108 1.00 0.00 C ATOM 31 O SER A 85 56.226 14.116 1.062 1.00 0.00 O ATOM 32 CB SER A 85 54.942 15.992 2.556 1.00 0.00 C ATOM 33 OG SER A 85 55.308 17.087 1.735 1.00 0.00 O ATOM 0 H SER A 85 57.783 16.631 2.894 1.00 0.00 H new ATOM 0 HA SER A 85 55.870 14.704 4.001 1.00 0.00 H new ATOM 0 HB2 SER A 85 54.368 15.272 1.972 1.00 0.00 H new ATOM 0 HB3 SER A 85 54.294 16.338 3.361 1.00 0.00 H new ATOM 0 HG SER A 85 54.501 17.505 1.369 1.00 0.00 H new ATOM 39 N GLU A 86 58.022 13.923 2.405 1.00 0.00 N ATOM 40 CA GLU A 86 58.743 13.039 1.496 1.00 0.00 C ATOM 41 C GLU A 86 57.977 11.732 1.283 1.00 0.00 C ATOM 42 O GLU A 86 57.771 10.968 2.226 1.00 0.00 O ATOM 43 CB GLU A 86 60.138 12.741 2.048 1.00 0.00 C ATOM 44 CG GLU A 86 60.948 13.990 2.357 1.00 0.00 C ATOM 45 CD GLU A 86 62.279 13.675 3.010 1.00 0.00 C ATOM 46 OE1 GLU A 86 63.325 13.897 2.365 1.00 0.00 O ATOM 47 OE2 GLU A 86 62.276 13.207 4.168 1.00 0.00 O ATOM 0 H GLU A 86 58.522 14.141 3.267 1.00 0.00 H new ATOM 0 HA GLU A 86 58.837 13.543 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.041 12.147 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.683 12.133 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 86 61.122 14.543 1.434 1.00 0.00 H new ATOM 0 HG3 GLU A 86 60.370 14.640 3.014 1.00 0.00 H new ATOM 54 N PRO A 87 57.543 11.456 0.039 1.00 0.00 N ATOM 55 CA PRO A 87 56.796 10.234 -0.283 1.00 0.00 C ATOM 56 C PRO A 87 57.603 8.969 -0.009 1.00 0.00 C ATOM 57 O PRO A 87 58.767 8.866 -0.397 1.00 0.00 O ATOM 58 CB PRO A 87 56.508 10.364 -1.785 1.00 0.00 C ATOM 59 CG PRO A 87 56.683 11.811 -2.093 1.00 0.00 C ATOM 60 CD PRO A 87 57.736 12.308 -1.147 1.00 0.00 C ATOM 0 HA PRO A 87 55.899 10.141 0.329 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.192 9.751 -2.372 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.498 10.030 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 87 56.989 11.956 -3.129 1.00 0.00 H new ATOM 0 HG3 PRO A 87 55.748 12.355 -1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 87 58.737 12.199 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO A 87 57.602 13.364 -0.912 1.00 0.00 H new ATOM 68 N ALA A 88 56.973 8.005 0.657 1.00 0.00 N ATOM 69 CA ALA A 88 57.624 6.740 0.980 1.00 0.00 C ATOM 70 C ALA A 88 56.846 5.566 0.392 1.00 0.00 C ATOM 71 O ALA A 88 55.710 5.304 0.787 1.00 0.00 O ATOM 72 CB ALA A 88 57.761 6.585 2.488 1.00 0.00 C ATOM 0 H ALA A 88 56.010 8.077 0.984 1.00 0.00 H new ATOM 0 HA ALA A 88 58.620 6.745 0.538 1.00 0.00 H new ATOM 0 HB1 ALA A 88 58.248 5.636 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 88 58.360 7.404 2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.772 6.603 2.947 1.00 0.00 H new ATOM 78 N VAL A 89 57.459 4.869 -0.561 1.00 0.00 N ATOM 79 CA VAL A 89 56.816 3.731 -1.210 1.00 0.00 C ATOM 80 C VAL A 89 56.883 2.481 -0.338 1.00 0.00 C ATOM 81 O VAL A 89 57.927 2.164 0.233 1.00 0.00 O ATOM 82 CB VAL A 89 57.464 3.424 -2.574 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.649 2.385 -3.331 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.616 4.697 -3.396 1.00 0.00 C ATOM 0 H VAL A 89 58.399 5.072 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 89 55.772 4.006 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 89 58.459 3.014 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.122 2.181 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.600 1.465 -2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.640 2.764 -3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.075 4.458 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.635 5.141 -3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.247 5.405 -2.858 1.00 0.00 H new ATOM 94 N CYS A 90 55.759 1.775 -0.244 1.00 0.00 N ATOM 95 CA CYS A 90 55.681 0.556 0.553 1.00 0.00 C ATOM 96 C CYS A 90 56.250 -0.631 -0.218 1.00 0.00 C ATOM 97 O CYS A 90 55.773 -0.967 -1.300 1.00 0.00 O ATOM 98 CB CYS A 90 54.229 0.277 0.949 1.00 0.00 C ATOM 99 SG CYS A 90 54.031 -1.085 2.120 1.00 0.00 S ATOM 0 H CYS A 90 54.888 2.028 -0.711 1.00 0.00 H new ATOM 0 HA CYS A 90 56.275 0.698 1.456 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.803 1.181 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.655 0.055 0.050 1.00 0.00 H new ATOM 104 N GLU A 91 57.282 -1.252 0.337 1.00 0.00 N ATOM 105 CA GLU A 91 57.930 -2.391 -0.304 1.00 0.00 C ATOM 106 C GLU A 91 57.015 -3.615 -0.356 1.00 0.00 C ATOM 107 O GLU A 91 57.231 -4.520 -1.163 1.00 0.00 O ATOM 108 CB GLU A 91 59.220 -2.742 0.442 1.00 0.00 C ATOM 109 CG GLU A 91 60.477 -2.244 -0.252 1.00 0.00 C ATOM 110 CD GLU A 91 61.311 -1.334 0.630 1.00 0.00 C ATOM 111 OE1 GLU A 91 62.182 -1.851 1.361 1.00 0.00 O ATOM 112 OE2 GLU A 91 61.094 -0.105 0.588 1.00 0.00 O ATOM 0 H GLU A 91 57.690 -0.986 1.233 1.00 0.00 H new ATOM 0 HA GLU A 91 58.160 -2.105 -1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.177 -2.318 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.282 -3.824 0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 91 61.080 -3.098 -0.559 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.198 -1.708 -1.159 1.00 0.00 H new ATOM 119 N MET A 92 56.011 -3.654 0.515 1.00 0.00 N ATOM 120 CA MET A 92 55.096 -4.792 0.562 1.00 0.00 C ATOM 121 C MET A 92 53.887 -4.599 -0.354 1.00 0.00 C ATOM 122 O MET A 92 53.634 -5.419 -1.236 1.00 0.00 O ATOM 123 CB MET A 92 54.628 -5.028 2.000 1.00 0.00 C ATOM 124 CG MET A 92 53.668 -6.199 2.148 1.00 0.00 C ATOM 125 SD MET A 92 54.314 -7.725 1.436 1.00 0.00 S ATOM 126 CE MET A 92 53.974 -8.888 2.754 1.00 0.00 C ATOM 0 H MET A 92 55.810 -2.918 1.193 1.00 0.00 H new ATOM 0 HA MET A 92 55.642 -5.665 0.204 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.499 -5.202 2.632 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.143 -4.124 2.368 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.456 -6.358 3.205 1.00 0.00 H new ATOM 0 HG3 MET A 92 52.722 -5.951 1.667 1.00 0.00 H new ATOM 0 HE1 MET A 92 54.318 -9.880 2.461 1.00 0.00 H new ATOM 0 HE2 MET A 92 54.496 -8.575 3.659 1.00 0.00 H new ATOM 0 HE3 MET A 92 52.901 -8.918 2.945 1.00 0.00 H new ATOM 136 N CYS A 93 53.129 -3.531 -0.130 1.00 0.00 N ATOM 137 CA CYS A 93 51.934 -3.258 -0.925 1.00 0.00 C ATOM 138 C CYS A 93 52.242 -2.389 -2.140 1.00 0.00 C ATOM 139 O CYS A 93 51.541 -2.455 -3.150 1.00 0.00 O ATOM 140 CB CYS A 93 50.879 -2.560 -0.062 1.00 0.00 C ATOM 141 SG CYS A 93 50.706 -3.241 1.603 1.00 0.00 S ATOM 0 H CYS A 93 53.320 -2.839 0.595 1.00 0.00 H new ATOM 0 HA CYS A 93 51.556 -4.216 -1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.132 -1.503 0.016 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.915 -2.620 -0.568 1.00 0.00 H new ATOM 146 N GLY A 94 53.278 -1.566 -2.038 1.00 0.00 N ATOM 147 CA GLY A 94 53.634 -0.691 -3.139 1.00 0.00 C ATOM 148 C GLY A 94 53.057 0.702 -2.972 1.00 0.00 C ATOM 149 O GLY A 94 53.536 1.657 -3.585 1.00 0.00 O ATOM 0 H GLY A 94 53.876 -1.489 -1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.720 -0.626 -3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.275 -1.122 -4.074 1.00 0.00 H new ATOM 153 N ILE A 95 52.026 0.821 -2.137 1.00 0.00 N ATOM 154 CA ILE A 95 51.386 2.107 -1.890 1.00 0.00 C ATOM 155 C ILE A 95 52.390 3.124 -1.368 1.00 0.00 C ATOM 156 O ILE A 95 53.283 2.791 -0.589 1.00 0.00 O ATOM 157 CB ILE A 95 50.227 1.981 -0.880 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.259 0.879 -1.312 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.498 3.310 -0.743 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.714 1.066 -2.710 1.00 0.00 C ATOM 0 H ILE A 95 51.618 0.041 -1.621 1.00 0.00 H new ATOM 0 HA ILE A 95 50.985 2.448 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 95 50.641 1.712 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 95 49.768 -0.083 -1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.427 0.841 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.683 3.206 -0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.194 4.072 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.095 3.605 -1.712 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.035 0.247 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 95 48.176 2.012 -2.767 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.538 1.073 -3.424 1.00 0.00 H new ATOM 172 N VAL A 96 52.239 4.366 -1.809 1.00 0.00 N ATOM 173 CA VAL A 96 53.131 5.437 -1.394 1.00 0.00 C ATOM 174 C VAL A 96 52.378 6.495 -0.596 1.00 0.00 C ATOM 175 O VAL A 96 51.228 6.812 -0.900 1.00 0.00 O ATOM 176 CB VAL A 96 53.802 6.104 -2.609 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.991 6.941 -2.166 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.229 5.057 -3.630 1.00 0.00 C ATOM 0 H VAL A 96 51.505 4.656 -2.455 1.00 0.00 H new ATOM 0 HA VAL A 96 53.900 4.990 -0.764 1.00 0.00 H new ATOM 0 HB VAL A 96 53.076 6.764 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.454 7.405 -3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.654 7.716 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.719 6.303 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.701 5.549 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.938 4.368 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.354 4.503 -3.971 1.00 0.00 H new ATOM 188 N GLY A 97 53.034 7.045 0.419 1.00 0.00 N ATOM 189 CA GLY A 97 52.412 8.068 1.238 1.00 0.00 C ATOM 190 C GLY A 97 53.428 9.037 1.810 1.00 0.00 C ATOM 191 O GLY A 97 54.617 8.728 1.875 1.00 0.00 O ATOM 0 H GLY A 97 53.987 6.800 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.684 8.617 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.864 7.595 2.053 1.00 0.00 H new ATOM 195 N THR A 98 52.963 10.206 2.236 1.00 0.00 N ATOM 196 CA THR A 98 53.850 11.209 2.816 1.00 0.00 C ATOM 197 C THR A 98 54.363 10.738 4.173 1.00 0.00 C ATOM 198 O THR A 98 53.622 10.132 4.942 1.00 0.00 O ATOM 199 CB THR A 98 53.121 12.545 2.963 1.00 0.00 C ATOM 200 OG1 THR A 98 51.962 12.398 3.763 1.00 0.00 O ATOM 201 CG2 THR A 98 52.692 13.140 1.639 1.00 0.00 C ATOM 0 H THR A 98 51.982 10.482 2.191 1.00 0.00 H new ATOM 0 HA THR A 98 54.700 11.348 2.148 1.00 0.00 H new ATOM 0 HB THR A 98 53.840 13.218 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.510 13.264 3.847 1.00 0.00 H new ATOM 0 HG21 THR A 98 52.181 14.087 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.570 13.311 1.016 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.016 12.451 1.132 1.00 0.00 H new ATOM 209 N ARG A 99 55.640 10.996 4.450 1.00 0.00 N ATOM 210 CA ARG A 99 56.266 10.580 5.707 1.00 0.00 C ATOM 211 C ARG A 99 55.356 10.795 6.916 1.00 0.00 C ATOM 212 O ARG A 99 55.299 9.954 7.813 1.00 0.00 O ATOM 213 CB ARG A 99 57.579 11.340 5.913 1.00 0.00 C ATOM 214 CG ARG A 99 57.495 12.817 5.561 1.00 0.00 C ATOM 215 CD ARG A 99 58.803 13.533 5.856 1.00 0.00 C ATOM 216 NE ARG A 99 59.177 13.431 7.265 1.00 0.00 N ATOM 217 CZ ARG A 99 60.290 13.952 7.776 1.00 0.00 C ATOM 218 NH1 ARG A 99 61.140 14.611 6.998 1.00 0.00 N ATOM 219 NH2 ARG A 99 60.554 13.814 9.067 1.00 0.00 N ATOM 0 H ARG A 99 56.266 11.494 3.817 1.00 0.00 H new ATOM 0 HA ARG A 99 56.458 9.510 5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.886 11.241 6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 99 58.356 10.875 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 99 57.248 12.927 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 99 56.688 13.282 6.127 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.595 13.109 5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 99 58.711 14.584 5.580 1.00 0.00 H new ATOM 0 HE ARG A 99 58.548 12.931 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 99 60.942 14.720 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 99 61.992 15.008 7.395 1.00 0.00 H new ATOM 0 HH21 ARG A 99 59.904 13.308 9.669 1.00 0.00 H new ATOM 0 HH22 ARG A 99 61.407 14.213 9.459 1.00 0.00 H new ATOM 233 N GLU A 100 54.658 11.925 6.947 1.00 0.00 N ATOM 234 CA GLU A 100 53.770 12.239 8.065 1.00 0.00 C ATOM 235 C GLU A 100 52.515 11.360 8.071 1.00 0.00 C ATOM 236 O GLU A 100 51.655 11.507 8.940 1.00 0.00 O ATOM 237 CB GLU A 100 53.368 13.715 8.021 1.00 0.00 C ATOM 238 CG GLU A 100 54.352 14.636 8.725 1.00 0.00 C ATOM 239 CD GLU A 100 53.669 15.627 9.648 1.00 0.00 C ATOM 240 OE1 GLU A 100 53.855 16.846 9.453 1.00 0.00 O ATOM 241 OE2 GLU A 100 52.947 15.183 10.565 1.00 0.00 O ATOM 0 H GLU A 100 54.688 12.636 6.216 1.00 0.00 H new ATOM 0 HA GLU A 100 54.321 12.034 8.983 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.273 14.026 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 100 52.385 13.829 8.479 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.057 14.036 9.301 1.00 0.00 H new ATOM 0 HG3 GLU A 100 54.931 15.180 7.979 1.00 0.00 H new ATOM 248 N ALA A 101 52.410 10.453 7.104 1.00 0.00 N ATOM 249 CA ALA A 101 51.258 9.563 7.010 1.00 0.00 C ATOM 250 C ALA A 101 51.675 8.093 7.081 1.00 0.00 C ATOM 251 O ALA A 101 50.861 7.226 7.397 1.00 0.00 O ATOM 252 CB ALA A 101 50.492 9.832 5.724 1.00 0.00 C ATOM 0 H ALA A 101 53.109 10.315 6.374 1.00 0.00 H new ATOM 0 HA ALA A 101 50.610 9.765 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.634 9.162 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.146 10.866 5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.146 9.661 4.869 1.00 0.00 H new ATOM 258 N PHE A 102 52.941 7.816 6.779 1.00 0.00 N ATOM 259 CA PHE A 102 53.450 6.448 6.805 1.00 0.00 C ATOM 260 C PHE A 102 54.064 6.109 8.163 1.00 0.00 C ATOM 261 O PHE A 102 54.398 6.998 8.946 1.00 0.00 O ATOM 262 CB PHE A 102 54.491 6.250 5.700 1.00 0.00 C ATOM 263 CG PHE A 102 53.972 5.484 4.516 1.00 0.00 C ATOM 264 CD1 PHE A 102 52.888 5.954 3.792 1.00 0.00 C ATOM 265 CD2 PHE A 102 54.570 4.295 4.127 1.00 0.00 C ATOM 266 CE1 PHE A 102 52.409 5.253 2.703 1.00 0.00 C ATOM 267 CE2 PHE A 102 54.094 3.590 3.038 1.00 0.00 C ATOM 268 CZ PHE A 102 53.012 4.069 2.325 1.00 0.00 C ATOM 0 H PHE A 102 53.631 8.519 6.514 1.00 0.00 H new ATOM 0 HA PHE A 102 52.609 5.776 6.634 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.843 7.226 5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.352 5.725 6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 102 52.412 6.879 4.083 1.00 0.00 H new ATOM 0 HD2 PHE A 102 55.416 3.916 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 102 51.563 5.630 2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 102 54.568 2.665 2.744 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.638 3.519 1.474 1.00 0.00 H new ATOM 278 N PHE A 103 54.202 4.811 8.432 1.00 0.00 N ATOM 279 CA PHE A 103 54.770 4.331 9.693 1.00 0.00 C ATOM 280 C PHE A 103 56.023 5.122 10.068 1.00 0.00 C ATOM 281 O PHE A 103 57.104 4.887 9.531 1.00 0.00 O ATOM 282 CB PHE A 103 55.104 2.840 9.579 1.00 0.00 C ATOM 283 CG PHE A 103 55.246 2.138 10.903 1.00 0.00 C ATOM 284 CD1 PHE A 103 56.241 1.193 11.093 1.00 0.00 C ATOM 285 CD2 PHE A 103 54.383 2.418 11.952 1.00 0.00 C ATOM 286 CE1 PHE A 103 56.375 0.540 12.303 1.00 0.00 C ATOM 287 CE2 PHE A 103 54.514 1.769 13.165 1.00 0.00 C ATOM 288 CZ PHE A 103 55.511 0.829 13.341 1.00 0.00 C ATOM 0 H PHE A 103 53.926 4.068 7.789 1.00 0.00 H new ATOM 0 HA PHE A 103 54.030 4.477 10.480 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.323 2.347 9.001 1.00 0.00 H new ATOM 0 HB3 PHE A 103 56.033 2.729 9.020 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.920 0.964 10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.601 3.151 11.820 1.00 0.00 H new ATOM 0 HE1 PHE A 103 57.154 -0.196 12.437 1.00 0.00 H new ATOM 0 HE2 PHE A 103 53.837 1.997 13.975 1.00 0.00 H new ATOM 0 HZ PHE A 103 55.615 0.321 14.288 1.00 0.00 H new ATOM 298 N SER A 104 55.860 6.071 10.986 1.00 0.00 N ATOM 299 CA SER A 104 56.966 6.914 11.432 1.00 0.00 C ATOM 300 C SER A 104 58.134 6.083 11.957 1.00 0.00 C ATOM 301 O SER A 104 59.279 6.536 11.948 1.00 0.00 O ATOM 302 CB SER A 104 56.491 7.881 12.517 1.00 0.00 C ATOM 303 OG SER A 104 55.459 8.723 12.033 1.00 0.00 O ATOM 0 H SER A 104 54.969 6.276 11.437 1.00 0.00 H new ATOM 0 HA SER A 104 57.316 7.479 10.568 1.00 0.00 H new ATOM 0 HB2 SER A 104 56.131 7.318 13.378 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.329 8.488 12.860 1.00 0.00 H new ATOM 0 HG SER A 104 55.171 9.331 12.746 1.00 0.00 H new ATOM 309 N LYS A 105 57.843 4.871 12.417 1.00 0.00 N ATOM 310 CA LYS A 105 58.879 3.989 12.947 1.00 0.00 C ATOM 311 C LYS A 105 60.006 3.797 11.935 1.00 0.00 C ATOM 312 O LYS A 105 61.161 4.124 12.207 1.00 0.00 O ATOM 313 CB LYS A 105 58.277 2.635 13.326 1.00 0.00 C ATOM 314 CG LYS A 105 58.553 2.231 14.764 1.00 0.00 C ATOM 315 CD LYS A 105 57.736 3.064 15.739 1.00 0.00 C ATOM 316 CE LYS A 105 57.813 2.508 17.153 1.00 0.00 C ATOM 317 NZ LYS A 105 58.461 3.466 18.091 1.00 0.00 N ATOM 0 H LYS A 105 56.902 4.477 12.434 1.00 0.00 H new ATOM 0 HA LYS A 105 59.297 4.456 13.839 1.00 0.00 H new ATOM 0 HB2 LYS A 105 57.199 2.668 13.167 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.675 1.870 12.659 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.318 1.175 14.899 1.00 0.00 H new ATOM 0 HG3 LYS A 105 59.615 2.351 14.980 1.00 0.00 H new ATOM 0 HD2 LYS A 105 58.098 4.092 15.732 1.00 0.00 H new ATOM 0 HD3 LYS A 105 56.696 3.090 15.414 1.00 0.00 H new ATOM 0 HE2 LYS A 105 56.809 2.276 17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 105 58.372 1.572 17.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 58.494 3.050 19.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 59.428 3.668 17.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 57.913 4.350 18.118 1.00 0.00 H new ATOM 331 N THR A 106 59.661 3.267 10.767 1.00 0.00 N ATOM 332 CA THR A 106 60.642 3.033 9.713 1.00 0.00 C ATOM 333 C THR A 106 60.319 3.865 8.477 1.00 0.00 C ATOM 334 O THR A 106 61.215 4.417 7.838 1.00 0.00 O ATOM 335 CB THR A 106 60.682 1.549 9.348 1.00 0.00 C ATOM 336 OG1 THR A 106 59.399 0.965 9.481 1.00 0.00 O ATOM 337 CG2 THR A 106 61.640 0.747 10.201 1.00 0.00 C ATOM 0 H THR A 106 58.709 2.991 10.526 1.00 0.00 H new ATOM 0 HA THR A 106 61.621 3.335 10.086 1.00 0.00 H new ATOM 0 HB THR A 106 61.027 1.517 8.314 1.00 0.00 H new ATOM 0 HG1 THR A 106 59.445 0.016 9.242 1.00 0.00 H new ATOM 0 HG21 THR A 106 61.619 -0.297 9.889 1.00 0.00 H new ATOM 0 HG22 THR A 106 62.650 1.141 10.083 1.00 0.00 H new ATOM 0 HG23 THR A 106 61.343 0.819 11.247 1.00 0.00 H new ATOM 345 N LYS A 107 59.029 3.946 8.147 1.00 0.00 N ATOM 346 CA LYS A 107 58.558 4.707 6.987 1.00 0.00 C ATOM 347 C LYS A 107 58.644 3.886 5.701 1.00 0.00 C ATOM 348 O LYS A 107 58.008 4.222 4.703 1.00 0.00 O ATOM 349 CB LYS A 107 59.343 6.015 6.829 1.00 0.00 C ATOM 350 CG LYS A 107 58.467 7.219 6.520 1.00 0.00 C ATOM 351 CD LYS A 107 57.671 7.662 7.739 1.00 0.00 C ATOM 352 CE LYS A 107 58.377 8.779 8.493 1.00 0.00 C ATOM 353 NZ LYS A 107 59.808 8.457 8.756 1.00 0.00 N ATOM 0 H LYS A 107 58.284 3.489 8.673 1.00 0.00 H new ATOM 0 HA LYS A 107 57.510 4.947 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 107 59.900 6.207 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.075 5.895 6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.090 8.043 6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 107 57.783 6.973 5.708 1.00 0.00 H new ATOM 0 HD2 LYS A 107 56.684 8.001 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.520 6.812 8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.313 9.702 7.917 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.866 8.957 9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.239 9.221 9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.871 7.563 9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.314 8.362 7.852 1.00 0.00 H new ATOM 367 N ARG A 108 59.427 2.808 5.724 1.00 0.00 N ATOM 368 CA ARG A 108 59.575 1.953 4.552 1.00 0.00 C ATOM 369 C ARG A 108 58.234 1.341 4.162 1.00 0.00 C ATOM 370 O ARG A 108 57.856 1.346 2.990 1.00 0.00 O ATOM 371 CB ARG A 108 60.606 0.851 4.820 1.00 0.00 C ATOM 372 CG ARG A 108 62.044 1.344 4.773 1.00 0.00 C ATOM 373 CD ARG A 108 62.956 0.506 5.656 1.00 0.00 C ATOM 374 NE ARG A 108 63.063 -0.874 5.184 1.00 0.00 N ATOM 375 CZ ARG A 108 64.106 -1.666 5.431 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.131 -1.224 6.150 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.124 -2.905 4.959 1.00 0.00 N ATOM 0 H ARG A 108 59.965 2.509 6.537 1.00 0.00 H new ATOM 0 HA ARG A 108 59.929 2.566 3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.412 0.413 5.799 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.478 0.057 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.405 1.314 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 108 62.082 2.385 5.094 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.948 0.957 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 108 62.575 0.511 6.677 1.00 0.00 H new ATOM 0 HE ARG A 108 62.293 -1.253 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.124 -0.273 6.517 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.926 -1.836 6.335 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.340 -3.252 4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.922 -3.511 5.148 1.00 0.00 H new ATOM 391 N PHE A 109 57.513 0.826 5.154 1.00 0.00 N ATOM 392 CA PHE A 109 56.206 0.224 4.913 1.00 0.00 C ATOM 393 C PHE A 109 55.099 1.118 5.462 1.00 0.00 C ATOM 394 O PHE A 109 55.349 1.991 6.292 1.00 0.00 O ATOM 395 CB PHE A 109 56.122 -1.165 5.545 1.00 0.00 C ATOM 396 CG PHE A 109 57.388 -1.963 5.420 1.00 0.00 C ATOM 397 CD1 PHE A 109 57.851 -2.371 4.178 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.115 -2.308 6.548 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.013 -3.107 4.065 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.279 -3.044 6.440 1.00 0.00 C ATOM 401 CZ PHE A 109 59.728 -3.444 5.196 1.00 0.00 C ATOM 0 H PHE A 109 57.811 0.814 6.129 1.00 0.00 H new ATOM 0 HA PHE A 109 56.074 0.121 3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 109 55.872 -1.060 6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.307 -1.718 5.078 1.00 0.00 H new ATOM 0 HD1 PHE A 109 57.296 -2.110 3.289 1.00 0.00 H new ATOM 0 HD2 PHE A 109 57.768 -1.998 7.523 1.00 0.00 H new ATOM 0 HE1 PHE A 109 59.362 -3.419 3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 109 59.837 -3.306 7.327 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.638 -4.020 5.109 1.00 0.00 H new ATOM 411 N CYS A 110 53.880 0.916 4.973 1.00 0.00 N ATOM 412 CA CYS A 110 52.736 1.719 5.384 1.00 0.00 C ATOM 413 C CYS A 110 52.202 1.334 6.764 1.00 0.00 C ATOM 414 O CYS A 110 51.301 1.993 7.283 1.00 0.00 O ATOM 415 CB CYS A 110 51.621 1.575 4.346 1.00 0.00 C ATOM 416 SG CYS A 110 51.113 -0.137 4.042 1.00 0.00 S ATOM 0 H CYS A 110 53.659 0.196 4.285 1.00 0.00 H new ATOM 0 HA CYS A 110 53.073 2.753 5.451 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.754 2.147 4.677 1.00 0.00 H new ATOM 0 HB3 CYS A 110 51.954 2.016 3.407 1.00 0.00 H new ATOM 421 N SER A 111 52.738 0.274 7.361 1.00 0.00 N ATOM 422 CA SER A 111 52.268 -0.154 8.676 1.00 0.00 C ATOM 423 C SER A 111 53.269 -1.068 9.372 1.00 0.00 C ATOM 424 O SER A 111 54.176 -1.614 8.743 1.00 0.00 O ATOM 425 CB SER A 111 50.923 -0.871 8.545 1.00 0.00 C ATOM 426 OG SER A 111 51.103 -2.253 8.278 1.00 0.00 O ATOM 0 H SER A 111 53.485 -0.296 6.965 1.00 0.00 H new ATOM 0 HA SER A 111 52.153 0.741 9.287 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.351 -0.747 9.464 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.341 -0.416 7.743 1.00 0.00 H new ATOM 0 HG SER A 111 50.592 -2.781 8.927 1.00 0.00 H new ATOM 432 N VAL A 112 53.080 -1.239 10.678 1.00 0.00 N ATOM 433 CA VAL A 112 53.946 -2.097 11.472 1.00 0.00 C ATOM 434 C VAL A 112 53.780 -3.551 11.050 1.00 0.00 C ATOM 435 O VAL A 112 54.760 -4.275 10.875 1.00 0.00 O ATOM 436 CB VAL A 112 53.642 -1.965 12.978 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.206 -2.366 13.274 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.617 -2.797 13.797 1.00 0.00 C ATOM 0 H VAL A 112 52.332 -0.792 11.207 1.00 0.00 H new ATOM 0 HA VAL A 112 54.974 -1.779 11.297 1.00 0.00 H new ATOM 0 HB VAL A 112 53.766 -0.920 13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.013 -2.265 14.342 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.526 -1.719 12.720 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.048 -3.402 12.973 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.386 -2.690 14.857 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.531 -3.845 13.511 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.634 -2.453 13.611 1.00 0.00 H new ATOM 448 N SER A 113 52.528 -3.969 10.871 1.00 0.00 N ATOM 449 CA SER A 113 52.234 -5.332 10.450 1.00 0.00 C ATOM 450 C SER A 113 52.924 -5.624 9.123 1.00 0.00 C ATOM 451 O SER A 113 53.407 -6.731 8.888 1.00 0.00 O ATOM 452 CB SER A 113 50.724 -5.535 10.315 1.00 0.00 C ATOM 453 OG SER A 113 50.157 -4.577 9.439 1.00 0.00 O ATOM 0 H SER A 113 51.705 -3.383 11.011 1.00 0.00 H new ATOM 0 HA SER A 113 52.609 -6.022 11.206 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.521 -6.539 9.942 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.255 -5.458 11.296 1.00 0.00 H new ATOM 0 HG SER A 113 49.191 -4.729 9.369 1.00 0.00 H new ATOM 459 N CYS A 114 52.979 -4.607 8.270 1.00 0.00 N ATOM 460 CA CYS A 114 53.626 -4.724 6.969 1.00 0.00 C ATOM 461 C CYS A 114 55.135 -4.909 7.136 1.00 0.00 C ATOM 462 O CYS A 114 55.820 -5.371 6.224 1.00 0.00 O ATOM 463 CB CYS A 114 53.342 -3.474 6.133 1.00 0.00 C ATOM 464 SG CYS A 114 52.578 -3.807 4.530 1.00 0.00 S ATOM 0 H CYS A 114 52.581 -3.687 8.458 1.00 0.00 H new ATOM 0 HA CYS A 114 53.224 -5.598 6.456 1.00 0.00 H new ATOM 0 HB2 CYS A 114 52.690 -2.811 6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.278 -2.939 5.972 1.00 0.00 H new ATOM 469 N SER A 115 55.640 -4.548 8.314 1.00 0.00 N ATOM 470 CA SER A 115 57.061 -4.674 8.612 1.00 0.00 C ATOM 471 C SER A 115 57.380 -6.074 9.126 1.00 0.00 C ATOM 472 O SER A 115 58.321 -6.723 8.656 1.00 0.00 O ATOM 473 CB SER A 115 57.482 -3.626 9.644 1.00 0.00 C ATOM 474 OG SER A 115 57.247 -4.084 10.965 1.00 0.00 O ATOM 0 H SER A 115 55.083 -4.165 9.078 1.00 0.00 H new ATOM 0 HA SER A 115 57.621 -4.507 7.692 1.00 0.00 H new ATOM 0 HB2 SER A 115 58.540 -3.394 9.520 1.00 0.00 H new ATOM 0 HB3 SER A 115 56.930 -2.702 9.473 1.00 0.00 H new ATOM 0 HG SER A 115 56.318 -3.898 11.215 1.00 0.00 H new ATOM 480 N ARG A 116 56.569 -6.556 10.063 1.00 0.00 N ATOM 481 CA ARG A 116 56.752 -7.893 10.606 1.00 0.00 C ATOM 482 C ARG A 116 56.285 -8.926 9.592 1.00 0.00 C ATOM 483 O ARG A 116 56.691 -10.088 9.634 1.00 0.00 O ATOM 484 CB ARG A 116 55.983 -8.054 11.920 1.00 0.00 C ATOM 485 CG ARG A 116 54.488 -7.807 11.789 1.00 0.00 C ATOM 486 CD ARG A 116 53.938 -7.083 13.008 1.00 0.00 C ATOM 487 NE ARG A 116 52.545 -7.433 13.274 1.00 0.00 N ATOM 488 CZ ARG A 116 52.162 -8.567 13.856 1.00 0.00 C ATOM 489 NH1 ARG A 116 53.064 -9.469 14.225 1.00 0.00 N ATOM 490 NH2 ARG A 116 50.874 -8.802 14.069 1.00 0.00 N ATOM 0 H ARG A 116 55.783 -6.041 10.459 1.00 0.00 H new ATOM 0 HA ARG A 116 57.811 -8.046 10.812 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.143 -9.062 12.303 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.393 -7.364 12.657 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.292 -7.217 10.894 1.00 0.00 H new ATOM 0 HG3 ARG A 116 53.970 -8.758 11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 116 54.545 -7.328 13.879 1.00 0.00 H new ATOM 0 HD3 ARG A 116 54.018 -6.007 12.856 1.00 0.00 H new ATOM 0 HE ARG A 116 51.822 -6.768 12.997 1.00 0.00 H new ATOM 0 HH11 ARG A 116 54.056 -9.294 14.063 1.00 0.00 H new ATOM 0 HH12 ARG A 116 52.765 -10.336 14.671 1.00 0.00 H new ATOM 0 HH21 ARG A 116 50.176 -8.113 13.787 1.00 0.00 H new ATOM 0 HH22 ARG A 116 50.581 -9.671 14.515 1.00 0.00 H new ATOM 504 N SER A 117 55.445 -8.482 8.662 1.00 0.00 N ATOM 505 CA SER A 117 54.939 -9.348 7.615 1.00 0.00 C ATOM 506 C SER A 117 55.974 -9.463 6.506 1.00 0.00 C ATOM 507 O SER A 117 56.374 -10.562 6.132 1.00 0.00 O ATOM 508 CB SER A 117 53.623 -8.801 7.057 1.00 0.00 C ATOM 509 OG SER A 117 52.569 -8.958 7.992 1.00 0.00 O ATOM 0 H SER A 117 55.102 -7.522 8.617 1.00 0.00 H new ATOM 0 HA SER A 117 54.748 -10.337 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.740 -7.746 6.809 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.373 -9.320 6.132 1.00 0.00 H new ATOM 0 HG SER A 117 52.547 -8.185 8.594 1.00 0.00 H new ATOM 515 N TYR A 118 56.418 -8.317 5.996 1.00 0.00 N ATOM 516 CA TYR A 118 57.421 -8.278 4.938 1.00 0.00 C ATOM 517 C TYR A 118 58.773 -8.783 5.441 1.00 0.00 C ATOM 518 O TYR A 118 59.628 -9.186 4.653 1.00 0.00 O ATOM 519 CB TYR A 118 57.564 -6.843 4.430 1.00 0.00 C ATOM 520 CG TYR A 118 58.271 -6.723 3.100 1.00 0.00 C ATOM 521 CD1 TYR A 118 59.411 -5.942 2.974 1.00 0.00 C ATOM 522 CD2 TYR A 118 57.793 -7.375 1.971 1.00 0.00 C ATOM 523 CE1 TYR A 118 60.057 -5.812 1.762 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.436 -7.254 0.753 1.00 0.00 C ATOM 525 CZ TYR A 118 59.567 -6.471 0.654 1.00 0.00 C ATOM 526 OH TYR A 118 60.209 -6.344 -0.557 1.00 0.00 O ATOM 0 H TYR A 118 56.096 -7.399 6.301 1.00 0.00 H new ATOM 0 HA TYR A 118 57.095 -8.930 4.128 1.00 0.00 H new ATOM 0 HB2 TYR A 118 56.572 -6.400 4.342 1.00 0.00 H new ATOM 0 HB3 TYR A 118 58.109 -6.260 5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 118 59.799 -5.427 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 118 56.905 -7.986 2.045 1.00 0.00 H new ATOM 0 HE1 TYR A 118 60.942 -5.198 1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.055 -7.770 -0.116 1.00 0.00 H new ATOM 0 HH TYR A 118 59.737 -6.872 -1.234 1.00 0.00 H new ATOM 536 N SER A 119 58.952 -8.772 6.759 1.00 0.00 N ATOM 537 CA SER A 119 60.193 -9.244 7.361 1.00 0.00 C ATOM 538 C SER A 119 60.131 -10.744 7.630 1.00 0.00 C ATOM 539 O SER A 119 61.044 -11.493 7.281 1.00 0.00 O ATOM 540 CB SER A 119 60.477 -8.486 8.659 1.00 0.00 C ATOM 541 OG SER A 119 61.599 -9.029 9.333 1.00 0.00 O ATOM 0 H SER A 119 58.256 -8.443 7.428 1.00 0.00 H new ATOM 0 HA SER A 119 61.004 -9.055 6.658 1.00 0.00 H new ATOM 0 HB2 SER A 119 60.656 -7.434 8.437 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.603 -8.530 9.308 1.00 0.00 H new ATOM 0 HG SER A 119 61.760 -8.526 10.158 1.00 0.00 H new ATOM 547 N SER A 120 59.050 -11.165 8.275 1.00 0.00 N ATOM 548 CA SER A 120 58.853 -12.569 8.628 1.00 0.00 C ATOM 549 C SER A 120 58.342 -13.409 7.454 1.00 0.00 C ATOM 550 O SER A 120 58.015 -14.583 7.630 1.00 0.00 O ATOM 551 CB SER A 120 57.877 -12.679 9.800 1.00 0.00 C ATOM 552 OG SER A 120 57.932 -13.966 10.390 1.00 0.00 O ATOM 0 H SER A 120 58.290 -10.550 8.567 1.00 0.00 H new ATOM 0 HA SER A 120 59.828 -12.966 8.910 1.00 0.00 H new ATOM 0 HB2 SER A 120 58.115 -11.922 10.548 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.863 -12.477 9.453 1.00 0.00 H new ATOM 0 HG SER A 120 57.946 -14.648 9.686 1.00 0.00 H new ATOM 558 N ASN A 121 58.265 -12.822 6.261 1.00 0.00 N ATOM 559 CA ASN A 121 57.784 -13.558 5.093 1.00 0.00 C ATOM 560 C ASN A 121 58.933 -14.022 4.202 1.00 0.00 C ATOM 561 O ASN A 121 58.708 -14.445 3.068 1.00 0.00 O ATOM 562 CB ASN A 121 56.816 -12.702 4.271 1.00 0.00 C ATOM 563 CG ASN A 121 55.364 -13.064 4.522 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.782 -13.878 3.803 1.00 0.00 O ATOM 565 ND2 ASN A 121 54.769 -12.460 5.546 1.00 0.00 N ATOM 0 H ASN A 121 58.525 -11.853 6.078 1.00 0.00 H new ATOM 0 HA ASN A 121 57.262 -14.439 5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 121 56.972 -11.650 4.512 1.00 0.00 H new ATOM 0 HB3 ASN A 121 57.039 -12.823 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.793 -12.664 5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 121 55.288 -11.792 6.116 1.00 0.00 H new ATOM 572 N SER A 122 60.163 -13.946 4.704 1.00 0.00 N ATOM 573 CA SER A 122 61.324 -14.366 3.926 1.00 0.00 C ATOM 574 C SER A 122 61.423 -13.570 2.629 1.00 0.00 C ATOM 575 O SER A 122 61.070 -14.063 1.558 1.00 0.00 O ATOM 576 CB SER A 122 61.244 -15.862 3.618 1.00 0.00 C ATOM 577 OG SER A 122 62.537 -16.431 3.507 1.00 0.00 O ATOM 0 H SER A 122 60.380 -13.600 5.639 1.00 0.00 H new ATOM 0 HA SER A 122 62.218 -14.174 4.519 1.00 0.00 H new ATOM 0 HB2 SER A 122 60.687 -16.369 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 122 60.695 -16.016 2.689 1.00 0.00 H new ATOM 0 HG SER A 122 62.458 -17.388 3.312 1.00 0.00 H new ATOM 583 N LYS A 123 61.904 -12.336 2.734 1.00 0.00 N ATOM 584 CA LYS A 123 62.048 -11.470 1.570 1.00 0.00 C ATOM 585 C LYS A 123 63.076 -12.035 0.595 1.00 0.00 C ATOM 586 O LYS A 123 62.721 -12.596 -0.441 1.00 0.00 O ATOM 587 CB LYS A 123 62.452 -10.059 2.008 1.00 0.00 C ATOM 588 CG LYS A 123 62.662 -9.096 0.850 1.00 0.00 C ATOM 589 CD LYS A 123 62.959 -7.689 1.344 1.00 0.00 C ATOM 590 CE LYS A 123 64.378 -7.573 1.878 1.00 0.00 C ATOM 591 NZ LYS A 123 64.704 -6.180 2.291 1.00 0.00 N ATOM 0 H LYS A 123 62.201 -11.913 3.613 1.00 0.00 H new ATOM 0 HA LYS A 123 61.086 -11.420 1.060 1.00 0.00 H new ATOM 0 HB2 LYS A 123 61.682 -9.658 2.667 1.00 0.00 H new ATOM 0 HB3 LYS A 123 63.371 -10.118 2.591 1.00 0.00 H new ATOM 0 HG2 LYS A 123 63.486 -9.446 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 123 61.772 -9.082 0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 123 62.817 -6.979 0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 123 62.251 -7.421 2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 123 64.501 -8.242 2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 123 65.082 -7.899 1.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 65.680 -6.143 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 64.611 -5.545 1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 64.049 -5.878 3.040 1.00 0.00 H new ATOM 605 N LYS A 124 64.349 -11.883 0.936 1.00 0.00 N ATOM 606 CA LYS A 124 65.433 -12.377 0.095 1.00 0.00 C ATOM 607 C LYS A 124 65.353 -11.778 -1.307 1.00 0.00 C ATOM 608 O LYS A 124 66.034 -10.760 -1.554 1.00 0.00 O ATOM 609 CB LYS A 124 65.391 -13.905 0.016 1.00 0.00 C ATOM 610 CG LYS A 124 66.753 -14.559 0.190 1.00 0.00 C ATOM 611 CD LYS A 124 66.625 -16.041 0.509 1.00 0.00 C ATOM 612 CE LYS A 124 67.575 -16.456 1.621 1.00 0.00 C ATOM 613 NZ LYS A 124 69.001 -16.337 1.208 1.00 0.00 N ATOM 614 OXT LYS A 124 64.611 -12.333 -2.145 1.00 0.00 O ATOM 0 H LYS A 124 64.657 -11.420 1.791 1.00 0.00 H new ATOM 0 HA LYS A 124 66.377 -12.071 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 124 64.715 -14.282 0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 124 64.976 -14.200 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 124 67.338 -14.431 -0.721 1.00 0.00 H new ATOM 0 HG3 LYS A 124 67.298 -14.059 0.991 1.00 0.00 H new ATOM 0 HD2 LYS A 124 65.599 -16.264 0.803 1.00 0.00 H new ATOM 0 HD3 LYS A 124 66.834 -16.626 -0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 124 67.399 -15.835 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 124 67.366 -17.486 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 69.616 -16.629 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 69.176 -16.949 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 69.208 -15.350 0.955 1.00 0.00 H new TER 628 LYS A 124 HETATM 629 ZN ZN A 125 52.110 -2.028 3.045 1.00 0.00 ZN