USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 273 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 : A 96 THR OG1 : rot -35:sc= 0.128! USER MOD Single : A 98 ASN : amide:sc= -0.0368 K(o=-0.037,f=-1.4) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 165:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 93 8.671 21.262 -20.438 1.00 3.11 N ATOM 2 CA CYS A 93 8.908 21.020 -19.020 1.00 52.41 C ATOM 3 C CYS A 93 10.357 21.326 -18.650 1.00 72.11 C ATOM 4 O CYS A 93 11.136 21.790 -19.481 1.00 40.44 O ATOM 5 CB CYS A 93 8.574 19.570 -18.666 1.00 5.33 C ATOM 6 SG CYS A 93 9.258 18.345 -19.827 1.00 21.14 S ATOM 0 HA CYS A 93 8.259 21.685 -18.450 1.00 52.41 H new ATOM 0 HB2 CYS A 93 8.950 19.356 -17.665 1.00 5.33 H new ATOM 0 HB3 CYS A 93 7.491 19.456 -18.631 1.00 5.33 H new ATOM 11 N VAL A 94 10.710 21.060 -17.397 1.00 10.42 N ATOM 12 CA VAL A 94 12.065 21.305 -16.916 1.00 74.12 C ATOM 13 C VAL A 94 13.023 20.221 -17.398 1.00 12.41 C ATOM 14 O VAL A 94 12.728 19.030 -17.299 1.00 44.43 O ATOM 15 CB VAL A 94 12.112 21.370 -15.378 1.00 53.23 C ATOM 16 CG1 VAL A 94 13.517 21.078 -14.874 1.00 12.25 C ATOM 17 CG2 VAL A 94 11.632 22.727 -14.887 1.00 52.43 C ATOM 0 H VAL A 94 10.077 20.675 -16.696 1.00 10.42 H new ATOM 0 HA VAL A 94 12.376 22.268 -17.322 1.00 74.12 H new ATOM 0 HB VAL A 94 11.443 20.608 -14.979 1.00 53.23 H new ATOM 0 HG11 VAL A 94 13.531 21.128 -13.785 1.00 12.25 H new ATOM 0 HG12 VAL A 94 13.819 20.081 -15.195 1.00 12.25 H new ATOM 0 HG13 VAL A 94 14.210 21.815 -15.280 1.00 12.25 H new ATOM 0 HG21 VAL A 94 11.672 22.755 -13.798 1.00 52.43 H new ATOM 0 HG22 VAL A 94 12.273 23.509 -15.294 1.00 52.43 H new ATOM 0 HG23 VAL A 94 10.606 22.891 -15.217 1.00 52.43 H new ATOM 27 N ALA A 95 14.171 20.642 -17.918 1.00 21.41 N ATOM 28 CA ALA A 95 15.173 19.707 -18.412 1.00 44.32 C ATOM 29 C ALA A 95 15.988 19.118 -17.266 1.00 1.52 C ATOM 30 O ALA A 95 15.922 17.919 -16.993 1.00 52.24 O ATOM 31 CB ALA A 95 16.090 20.396 -19.413 1.00 72.33 C ATOM 0 H ALA A 95 14.430 21.625 -18.008 1.00 21.41 H new ATOM 0 HA ALA A 95 14.654 18.889 -18.912 1.00 44.32 H new ATOM 0 HB1 ALA A 95 16.834 19.686 -19.774 1.00 72.33 H new ATOM 0 HB2 ALA A 95 15.501 20.763 -20.253 1.00 72.33 H new ATOM 0 HB3 ALA A 95 16.593 21.233 -18.929 1.00 72.33 H new ATOM 37 N THR A 96 16.759 19.970 -16.594 1.00 74.55 N ATOM 38 CA THR A 96 17.588 19.532 -15.479 1.00 10.33 C ATOM 39 C THR A 96 18.028 20.717 -14.625 1.00 23.23 C ATOM 40 O THR A 96 18.290 21.803 -15.141 1.00 21.11 O ATOM 41 CB THR A 96 18.836 18.775 -15.969 1.00 0.02 C ATOM 42 OG1 THR A 96 18.494 17.927 -17.070 1.00 34.21 O ATOM 43 CG2 THR A 96 19.439 17.942 -14.847 1.00 13.21 C ATOM 0 H THR A 96 16.825 20.966 -16.804 1.00 74.55 H new ATOM 0 HA THR A 96 16.979 18.858 -14.877 1.00 10.33 H new ATOM 0 HB THR A 96 19.575 19.508 -16.293 1.00 0.02 H new ATOM 0 HG1 THR A 96 17.592 17.567 -16.938 1.00 34.21 H new ATOM 0 HG21 THR A 96 20.319 17.416 -15.217 1.00 13.21 H new ATOM 0 HG22 THR A 96 19.726 18.595 -14.023 1.00 13.21 H new ATOM 0 HG23 THR A 96 18.704 17.217 -14.497 1.00 13.21 H new ATOM 51 N ARG A 97 18.108 20.499 -13.316 1.00 61.11 N ATOM 52 CA ARG A 97 18.517 21.549 -12.391 1.00 34.10 C ATOM 53 C ARG A 97 17.950 22.901 -12.818 1.00 32.54 C ATOM 54 O ARG A 97 18.643 23.915 -12.777 1.00 50.20 O ATOM 55 CB ARG A 97 20.042 21.625 -12.314 1.00 24.10 C ATOM 56 CG ARG A 97 20.694 22.097 -13.604 1.00 4.34 C ATOM 57 CD ARG A 97 21.082 20.927 -14.493 1.00 45.35 C ATOM 58 NE ARG A 97 22.525 20.857 -14.705 1.00 62.44 N ATOM 59 CZ ARG A 97 23.210 21.750 -15.410 1.00 41.55 C ATOM 60 NH1 ARG A 97 22.585 22.779 -15.967 1.00 72.01 N ATOM 61 NH2 ARG A 97 24.522 21.618 -15.559 1.00 35.22 N ATOM 0 H ARG A 97 17.895 19.605 -12.873 1.00 61.11 H new ATOM 0 HA ARG A 97 18.122 21.304 -11.405 1.00 34.10 H new ATOM 0 HB2 ARG A 97 20.323 22.301 -11.506 1.00 24.10 H new ATOM 0 HB3 ARG A 97 20.434 20.641 -12.058 1.00 24.10 H new ATOM 0 HG2 ARG A 97 20.008 22.752 -14.141 1.00 4.34 H new ATOM 0 HG3 ARG A 97 21.580 22.687 -13.370 1.00 4.34 H new ATOM 0 HD2 ARG A 97 20.736 19.998 -14.041 1.00 45.35 H new ATOM 0 HD3 ARG A 97 20.578 21.020 -15.455 1.00 45.35 H new ATOM 0 HE ARG A 97 23.036 20.079 -14.288 1.00 62.44 H new ATOM 0 HH11 ARG A 97 21.577 22.885 -15.854 1.00 72.01 H new ATOM 0 HH12 ARG A 97 23.113 23.464 -16.508 1.00 72.01 H new ATOM 0 HH21 ARG A 97 25.007 20.829 -15.132 1.00 35.22 H new ATOM 0 HH22 ARG A 97 25.045 22.305 -16.101 1.00 35.22 H new ATOM 75 N ASN A 98 16.685 22.903 -13.225 1.00 74.22 N ATOM 76 CA ASN A 98 16.025 24.129 -13.661 1.00 21.23 C ATOM 77 C ASN A 98 14.971 24.567 -12.649 1.00 52.55 C ATOM 78 O ASN A 98 14.934 25.726 -12.238 1.00 15.30 O ATOM 79 CB ASN A 98 15.379 23.926 -15.033 1.00 34.44 C ATOM 80 CG ASN A 98 15.278 25.217 -15.821 1.00 43.42 C ATOM 81 OD1 ASN A 98 15.571 26.296 -15.306 1.00 24.21 O ATOM 82 ND2 ASN A 98 14.862 25.112 -17.078 1.00 22.13 N ATOM 0 H ASN A 98 16.097 22.071 -13.262 1.00 74.22 H new ATOM 0 HA ASN A 98 16.780 24.912 -13.736 1.00 21.23 H new ATOM 0 HB2 ASN A 98 15.961 23.201 -15.602 1.00 34.44 H new ATOM 0 HB3 ASN A 98 14.383 23.504 -14.903 1.00 34.44 H new ATOM 0 HD21 ASN A 98 14.775 25.947 -17.658 1.00 22.13 H new ATOM 0 HD22 ASN A 98 14.630 24.197 -17.464 1.00 22.13 H new ATOM 89 N SER A 99 14.114 23.631 -12.252 1.00 31.12 N ATOM 90 CA SER A 99 13.056 23.921 -11.291 1.00 71.32 C ATOM 91 C SER A 99 12.231 22.671 -10.999 1.00 12.20 C ATOM 92 O SER A 99 12.063 21.808 -11.860 1.00 0.12 O ATOM 93 CB SER A 99 12.148 25.033 -11.820 1.00 2.14 C ATOM 94 OG SER A 99 10.818 24.867 -11.360 1.00 1.53 O ATOM 0 H SER A 99 14.132 22.666 -12.581 1.00 31.12 H new ATOM 0 HA SER A 99 13.522 24.253 -10.363 1.00 71.32 H new ATOM 0 HB2 SER A 99 12.529 26.002 -11.498 1.00 2.14 H new ATOM 0 HB3 SER A 99 12.162 25.031 -12.910 1.00 2.14 H new ATOM 0 HG SER A 99 10.258 25.591 -11.710 1.00 1.53 H new ATOM 100 N CYS A 100 11.718 22.582 -9.776 1.00 74.23 N ATOM 101 CA CYS A 100 10.911 21.439 -9.367 1.00 52.11 C ATOM 102 C CYS A 100 9.432 21.688 -9.652 1.00 32.01 C ATOM 103 O CYS A 100 8.936 21.379 -10.736 1.00 4.23 O ATOM 104 CB CYS A 100 11.113 21.152 -7.878 1.00 21.21 C ATOM 105 SG CYS A 100 12.472 19.991 -7.523 1.00 52.00 S ATOM 0 H CYS A 100 11.847 23.288 -9.051 1.00 74.23 H new ATOM 0 HA CYS A 100 11.234 20.573 -9.944 1.00 52.11 H new ATOM 0 HB2 CYS A 100 11.307 22.092 -7.361 1.00 21.21 H new ATOM 0 HB3 CYS A 100 10.187 20.748 -7.468 1.00 21.21 H new ATOM 110 N LYS A 101 8.732 22.248 -8.671 1.00 24.32 N ATOM 111 CA LYS A 101 7.311 22.541 -8.814 1.00 23.31 C ATOM 112 C LYS A 101 6.619 21.476 -9.660 1.00 32.44 C ATOM 113 O LYS A 101 6.012 21.766 -10.690 1.00 54.14 O ATOM 114 CB LYS A 101 7.116 23.919 -9.449 1.00 15.20 C ATOM 115 CG LYS A 101 7.317 25.070 -8.479 1.00 43.12 C ATOM 116 CD LYS A 101 8.787 25.260 -8.139 1.00 53.20 C ATOM 117 CE LYS A 101 9.081 24.862 -6.702 1.00 25.04 C ATOM 118 NZ LYS A 101 8.599 25.884 -5.732 1.00 53.14 N ATOM 0 H LYS A 101 9.127 22.508 -7.767 1.00 24.32 H new ATOM 0 HA LYS A 101 6.862 22.539 -7.821 1.00 23.31 H new ATOM 0 HB2 LYS A 101 7.813 24.029 -10.280 1.00 15.20 H new ATOM 0 HB3 LYS A 101 6.111 23.978 -9.867 1.00 15.20 H new ATOM 0 HG2 LYS A 101 6.921 25.988 -8.914 1.00 43.12 H new ATOM 0 HG3 LYS A 101 6.752 24.881 -7.566 1.00 43.12 H new ATOM 0 HD2 LYS A 101 9.398 24.663 -8.816 1.00 53.20 H new ATOM 0 HD3 LYS A 101 9.066 26.302 -8.293 1.00 53.20 H new ATOM 0 HE2 LYS A 101 8.606 23.905 -6.486 1.00 25.04 H new ATOM 0 HE3 LYS A 101 10.155 24.721 -6.577 1.00 25.04 H new ATOM 0 HZ1 LYS A 101 8.819 25.575 -4.764 1.00 53.14 H new ATOM 0 HZ2 LYS A 101 9.070 26.792 -5.921 1.00 53.14 H new ATOM 0 HZ3 LYS A 101 7.571 26.001 -5.833 1.00 53.14 H new ATOM 132 N PRO A 102 6.711 20.214 -9.214 1.00 70.41 N ATOM 133 CA PRO A 102 6.097 19.082 -9.915 1.00 21.43 C ATOM 134 C PRO A 102 4.575 19.104 -9.832 1.00 32.44 C ATOM 135 O PRO A 102 3.971 18.306 -9.116 1.00 12.31 O ATOM 136 CB PRO A 102 6.655 17.863 -9.174 1.00 71.13 C ATOM 137 CG PRO A 102 6.988 18.366 -7.812 1.00 55.21 C ATOM 138 CD PRO A 102 7.419 19.796 -7.993 1.00 63.21 C ATOM 0 HA PRO A 102 6.323 19.092 -10.981 1.00 21.43 H new ATOM 0 HB2 PRO A 102 5.922 17.057 -9.130 1.00 71.13 H new ATOM 0 HB3 PRO A 102 7.537 17.465 -9.675 1.00 71.13 H new ATOM 0 HG2 PRO A 102 6.125 18.299 -7.149 1.00 55.21 H new ATOM 0 HG3 PRO A 102 7.783 17.773 -7.360 1.00 55.21 H new ATOM 0 HD2 PRO A 102 7.141 20.411 -7.137 1.00 63.21 H new ATOM 0 HD3 PRO A 102 8.500 19.878 -8.107 1.00 63.21 H new ATOM 146 N ALA A 103 3.961 20.024 -10.569 1.00 32.32 N ATOM 147 CA ALA A 103 2.508 20.148 -10.581 1.00 22.35 C ATOM 148 C ALA A 103 2.005 20.570 -11.956 1.00 53.31 C ATOM 149 O ALA A 103 1.068 19.980 -12.493 1.00 31.52 O ATOM 150 CB ALA A 103 2.055 21.143 -9.522 1.00 63.20 C ATOM 0 H ALA A 103 4.447 20.694 -11.165 1.00 32.32 H new ATOM 0 HA ALA A 103 2.082 19.171 -10.352 1.00 22.35 H new ATOM 0 HB1 ALA A 103 0.968 21.226 -9.542 1.00 63.20 H new ATOM 0 HB2 ALA A 103 2.375 20.798 -8.539 1.00 63.20 H new ATOM 0 HB3 ALA A 103 2.497 22.118 -9.726 1.00 63.20 H new ATOM 156 N ALA A 104 2.632 21.596 -12.522 1.00 41.10 N ATOM 157 CA ALA A 104 2.248 22.097 -13.836 1.00 73.31 C ATOM 158 C ALA A 104 2.988 21.355 -14.944 1.00 34.33 C ATOM 159 O ALA A 104 2.912 21.730 -16.113 1.00 1.01 O ATOM 160 CB ALA A 104 2.514 23.591 -13.930 1.00 64.32 C ATOM 0 H ALA A 104 3.409 22.097 -12.091 1.00 41.10 H new ATOM 0 HA ALA A 104 1.180 21.921 -13.967 1.00 73.31 H new ATOM 0 HB1 ALA A 104 2.222 23.951 -14.917 1.00 64.32 H new ATOM 0 HB2 ALA A 104 1.935 24.112 -13.168 1.00 64.32 H new ATOM 0 HB3 ALA A 104 3.576 23.782 -13.773 1.00 64.32 H new ATOM 166 N ALA A 105 3.703 20.299 -14.567 1.00 75.05 N ATOM 167 CA ALA A 105 4.455 19.503 -15.529 1.00 43.24 C ATOM 168 C ALA A 105 5.774 20.181 -15.890 1.00 75.51 C ATOM 169 O ALA A 105 6.042 20.454 -17.059 1.00 64.50 O ATOM 170 CB ALA A 105 3.624 19.264 -16.781 1.00 12.31 C ATOM 0 H ALA A 105 3.777 19.976 -13.602 1.00 75.05 H new ATOM 0 HA ALA A 105 4.683 18.542 -15.068 1.00 43.24 H new ATOM 0 HB1 ALA A 105 4.198 18.668 -17.491 1.00 12.31 H new ATOM 0 HB2 ALA A 105 2.711 18.731 -16.515 1.00 12.31 H new ATOM 0 HB3 ALA A 105 3.367 20.221 -17.235 1.00 12.31 H new ATOM 176 N ALA A 106 6.591 20.449 -14.877 1.00 41.12 N ATOM 177 CA ALA A 106 7.882 21.092 -15.088 1.00 41.31 C ATOM 178 C ALA A 106 8.983 20.382 -14.308 1.00 23.23 C ATOM 179 O ALA A 106 9.724 21.009 -13.549 1.00 33.32 O ATOM 180 CB ALA A 106 7.812 22.559 -14.689 1.00 11.42 C ATOM 0 H ALA A 106 6.382 20.231 -13.903 1.00 41.12 H new ATOM 0 HA ALA A 106 8.124 21.026 -16.149 1.00 41.31 H new ATOM 0 HB1 ALA A 106 8.783 23.027 -14.852 1.00 11.42 H new ATOM 0 HB2 ALA A 106 7.059 23.065 -15.294 1.00 11.42 H new ATOM 0 HB3 ALA A 106 7.544 22.637 -13.635 1.00 11.42 H new ATOM 186 N CYS A 107 9.086 19.071 -14.499 1.00 41.05 N ATOM 187 CA CYS A 107 10.096 18.275 -13.812 1.00 65.34 C ATOM 188 C CYS A 107 10.274 16.920 -14.492 1.00 63.45 C ATOM 189 O CYS A 107 10.695 15.948 -13.864 1.00 3.30 O ATOM 190 CB CYS A 107 9.709 18.075 -12.346 1.00 3.41 C ATOM 191 SG CYS A 107 11.119 18.102 -11.194 1.00 64.15 S ATOM 0 H CYS A 107 8.482 18.537 -15.124 1.00 41.05 H new ATOM 0 HA CYS A 107 11.042 18.814 -13.860 1.00 65.34 H new ATOM 0 HB2 CYS A 107 9.004 18.854 -12.058 1.00 3.41 H new ATOM 0 HB3 CYS A 107 9.190 17.122 -12.245 1.00 3.41 H new ATOM 196 N CYS A 108 9.951 16.863 -15.780 1.00 4.13 N ATOM 197 CA CYS A 108 10.074 15.628 -16.545 1.00 45.43 C ATOM 198 C CYS A 108 11.483 15.053 -16.425 1.00 52.22 C ATOM 199 O CYS A 108 12.421 15.543 -17.055 1.00 73.11 O ATOM 200 CB CYS A 108 9.739 15.881 -18.017 1.00 45.33 C ATOM 201 SG CYS A 108 10.587 17.324 -18.737 1.00 14.43 S ATOM 0 H CYS A 108 9.602 17.658 -16.316 1.00 4.13 H new ATOM 0 HA CYS A 108 9.368 14.904 -16.137 1.00 45.43 H new ATOM 0 HB2 CYS A 108 10.000 14.994 -18.595 1.00 45.33 H new ATOM 0 HB3 CYS A 108 8.662 16.020 -18.115 1.00 45.33 H new ATOM 206 N ASP A 109 11.622 14.010 -15.614 1.00 54.43 N ATOM 207 CA ASP A 109 12.914 13.366 -15.412 1.00 42.03 C ATOM 208 C ASP A 109 12.780 12.155 -14.494 1.00 42.31 C ATOM 209 O ASP A 109 13.008 12.232 -13.286 1.00 43.24 O ATOM 210 CB ASP A 109 13.917 14.359 -14.824 1.00 13.14 C ATOM 211 CG ASP A 109 15.327 14.130 -15.332 1.00 12.23 C ATOM 212 OD1 ASP A 109 15.584 13.046 -15.896 1.00 22.20 O ATOM 213 OD2 ASP A 109 16.172 15.034 -15.166 1.00 4.14 O ATOM 0 H ASP A 109 10.856 13.593 -15.086 1.00 54.43 H new ATOM 0 HA ASP A 109 13.278 13.026 -16.382 1.00 42.03 H new ATOM 0 HB2 ASP A 109 13.606 15.374 -15.071 1.00 13.14 H new ATOM 0 HB3 ASP A 109 13.908 14.278 -13.737 1.00 13.14 H new ATOM 218 N PRO A 110 12.400 11.009 -15.078 1.00 34.25 N ATOM 219 CA PRO A 110 12.226 9.760 -14.330 1.00 24.35 C ATOM 220 C PRO A 110 13.552 9.187 -13.843 1.00 61.52 C ATOM 221 O PRO A 110 13.581 8.210 -13.092 1.00 12.50 O ATOM 222 CB PRO A 110 11.581 8.821 -15.352 1.00 44.02 C ATOM 223 CG PRO A 110 12.009 9.353 -16.677 1.00 24.42 C ATOM 224 CD PRO A 110 12.111 10.843 -16.511 1.00 52.24 C ATOM 0 HA PRO A 110 11.631 9.904 -13.429 1.00 24.35 H new ATOM 0 HB2 PRO A 110 11.915 7.793 -15.211 1.00 44.02 H new ATOM 0 HB3 PRO A 110 10.495 8.819 -15.258 1.00 44.02 H new ATOM 0 HG2 PRO A 110 12.966 8.927 -16.978 1.00 24.42 H new ATOM 0 HG3 PRO A 110 11.288 9.095 -17.453 1.00 24.42 H new ATOM 0 HD2 PRO A 110 12.903 11.263 -17.132 1.00 52.24 H new ATOM 0 HD3 PRO A 110 11.185 11.343 -16.794 1.00 52.24 H new ATOM 232 N CYS A 111 14.650 9.798 -14.274 1.00 25.01 N ATOM 233 CA CYS A 111 15.981 9.348 -13.882 1.00 54.22 C ATOM 234 C CYS A 111 16.603 10.307 -12.871 1.00 33.34 C ATOM 235 O CYS A 111 17.724 10.098 -12.410 1.00 32.01 O ATOM 236 CB CYS A 111 16.885 9.230 -15.112 1.00 13.40 C ATOM 237 SG CYS A 111 17.173 7.517 -15.660 1.00 11.13 S ATOM 0 H CYS A 111 14.645 10.607 -14.895 1.00 25.01 H new ATOM 0 HA CYS A 111 15.883 8.368 -13.415 1.00 54.22 H new ATOM 0 HB2 CYS A 111 16.440 9.793 -15.932 1.00 13.40 H new ATOM 0 HB3 CYS A 111 17.845 9.696 -14.890 1.00 13.40 H new ATOM 242 N ALA A 112 15.866 11.359 -12.531 1.00 12.04 N ATOM 243 CA ALA A 112 16.343 12.348 -11.572 1.00 41.12 C ATOM 244 C ALA A 112 15.416 12.434 -10.364 1.00 1.40 C ATOM 245 O ALA A 112 14.527 11.601 -10.192 1.00 20.00 O ATOM 246 CB ALA A 112 16.471 13.711 -12.239 1.00 35.42 C ATOM 0 H ALA A 112 14.936 11.549 -12.905 1.00 12.04 H new ATOM 0 HA ALA A 112 17.326 12.033 -11.221 1.00 41.12 H new ATOM 0 HB1 ALA A 112 16.828 14.440 -11.512 1.00 35.42 H new ATOM 0 HB2 ALA A 112 17.179 13.647 -13.066 1.00 35.42 H new ATOM 0 HB3 ALA A 112 15.498 14.023 -12.618 1.00 35.42 H new ATOM 252 N SER A 113 15.632 13.446 -9.530 1.00 11.14 N ATOM 253 CA SER A 113 14.818 13.639 -8.334 1.00 73.44 C ATOM 254 C SER A 113 14.809 15.104 -7.913 1.00 42.20 C ATOM 255 O SER A 113 15.746 15.850 -8.199 1.00 52.41 O ATOM 256 CB SER A 113 15.344 12.770 -7.190 1.00 32.34 C ATOM 257 OG SER A 113 14.291 12.366 -6.332 1.00 23.31 O ATOM 0 H SER A 113 16.363 14.145 -9.660 1.00 11.14 H new ATOM 0 HA SER A 113 13.796 13.341 -8.567 1.00 73.44 H new ATOM 0 HB2 SER A 113 15.844 11.891 -7.597 1.00 32.34 H new ATOM 0 HB3 SER A 113 16.089 13.325 -6.620 1.00 32.34 H new ATOM 0 HG SER A 113 14.652 11.810 -5.610 1.00 23.31 H new ATOM 263 N CYS A 114 13.743 15.510 -7.231 1.00 43.21 N ATOM 264 CA CYS A 114 13.609 16.887 -6.769 1.00 65.42 C ATOM 265 C CYS A 114 14.603 17.185 -5.651 1.00 21.35 C ATOM 266 O CYS A 114 14.359 16.863 -4.487 1.00 60.11 O ATOM 267 CB CYS A 114 12.183 17.147 -6.283 1.00 55.30 C ATOM 268 SG CYS A 114 11.840 18.891 -5.882 1.00 24.43 S ATOM 0 H CYS A 114 12.959 14.905 -6.986 1.00 43.21 H new ATOM 0 HA CYS A 114 13.825 17.548 -7.608 1.00 65.42 H new ATOM 0 HB2 CYS A 114 11.483 16.818 -7.051 1.00 55.30 H new ATOM 0 HB3 CYS A 114 11.995 16.538 -5.398 1.00 55.30 H new ATOM 273 N TYR A 115 15.724 17.800 -6.010 1.00 12.22 N ATOM 274 CA TYR A 115 16.756 18.139 -5.037 1.00 12.14 C ATOM 275 C TYR A 115 16.691 19.619 -4.668 1.00 64.41 C ATOM 276 O TYR A 115 16.437 20.472 -5.518 1.00 2.12 O ATOM 277 CB TYR A 115 18.141 17.800 -5.591 1.00 75.35 C ATOM 278 CG TYR A 115 19.263 18.567 -4.929 1.00 35.43 C ATOM 279 CD1 TYR A 115 19.823 18.123 -3.737 1.00 24.01 C ATOM 280 CD2 TYR A 115 19.761 19.734 -5.492 1.00 73.40 C ATOM 281 CE1 TYR A 115 20.849 18.821 -3.127 1.00 33.43 C ATOM 282 CE2 TYR A 115 20.786 20.437 -4.891 1.00 23.14 C ATOM 283 CZ TYR A 115 21.327 19.976 -3.708 1.00 31.35 C ATOM 284 OH TYR A 115 22.347 20.674 -3.104 1.00 64.12 O ATOM 0 H TYR A 115 15.942 18.074 -6.968 1.00 12.22 H new ATOM 0 HA TYR A 115 16.579 17.550 -4.137 1.00 12.14 H new ATOM 0 HB2 TYR A 115 18.321 16.732 -5.468 1.00 75.35 H new ATOM 0 HB3 TYR A 115 18.155 18.005 -6.662 1.00 75.35 H new ATOM 0 HD1 TYR A 115 19.451 17.218 -3.280 1.00 24.01 H new ATOM 0 HD2 TYR A 115 19.339 20.099 -6.417 1.00 73.40 H new ATOM 0 HE1 TYR A 115 21.273 18.463 -2.201 1.00 33.43 H new ATOM 0 HE2 TYR A 115 21.162 21.342 -5.344 1.00 23.14 H new ATOM 0 HH TYR A 115 22.567 21.463 -3.642 1.00 64.12 H new ATOM 294 N CYS A 116 16.926 19.914 -3.393 1.00 74.25 N ATOM 295 CA CYS A 116 16.895 21.289 -2.910 1.00 24.13 C ATOM 296 C CYS A 116 18.276 21.727 -2.430 1.00 12.35 C ATOM 297 O CYS A 116 19.119 20.896 -2.091 1.00 43.31 O ATOM 298 CB CYS A 116 15.880 21.429 -1.773 1.00 43.12 C ATOM 299 SG CYS A 116 14.209 20.838 -2.192 1.00 14.23 S ATOM 0 H CYS A 116 17.140 19.220 -2.677 1.00 74.25 H new ATOM 0 HA CYS A 116 16.595 21.933 -3.737 1.00 24.13 H new ATOM 0 HB2 CYS A 116 16.243 20.876 -0.906 1.00 43.12 H new ATOM 0 HB3 CYS A 116 15.820 22.477 -1.480 1.00 43.12 H new ATOM 304 N ARG A 117 18.499 23.037 -2.404 1.00 64.44 N ATOM 305 CA ARG A 117 19.777 23.586 -1.968 1.00 22.44 C ATOM 306 C ARG A 117 19.611 24.395 -0.684 1.00 62.34 C ATOM 307 O ARG A 117 18.544 24.396 -0.073 1.00 15.21 O ATOM 308 CB ARG A 117 20.379 24.466 -3.064 1.00 3.01 C ATOM 309 CG ARG A 117 19.339 25.149 -3.937 1.00 42.21 C ATOM 310 CD ARG A 117 18.504 26.139 -3.138 1.00 64.52 C ATOM 311 NE ARG A 117 18.010 27.232 -3.969 1.00 52.43 N ATOM 312 CZ ARG A 117 18.771 28.236 -4.393 1.00 35.31 C ATOM 313 NH1 ARG A 117 20.055 28.283 -4.066 1.00 52.15 N ATOM 314 NH2 ARG A 117 18.247 29.195 -5.146 1.00 50.03 N ATOM 0 H ARG A 117 17.811 23.738 -2.680 1.00 64.44 H new ATOM 0 HA ARG A 117 20.452 22.754 -1.768 1.00 22.44 H new ATOM 0 HB2 ARG A 117 21.009 25.226 -2.602 1.00 3.01 H new ATOM 0 HB3 ARG A 117 21.026 23.855 -3.694 1.00 3.01 H new ATOM 0 HG2 ARG A 117 19.835 25.668 -4.757 1.00 42.21 H new ATOM 0 HG3 ARG A 117 18.687 24.398 -4.383 1.00 42.21 H new ATOM 0 HD2 ARG A 117 17.661 25.619 -2.684 1.00 64.52 H new ATOM 0 HD3 ARG A 117 19.104 26.545 -2.324 1.00 64.52 H new ATOM 0 HE ARG A 117 17.027 27.225 -4.239 1.00 52.43 H new ATOM 0 HH11 ARG A 117 20.461 27.548 -3.488 1.00 52.15 H new ATOM 0 HH12 ARG A 117 20.637 29.055 -4.393 1.00 52.15 H new ATOM 0 HH21 ARG A 117 17.260 29.162 -5.400 1.00 50.03 H new ATOM 0 HH22 ARG A 117 18.832 29.965 -5.471 1.00 50.03 H new ATOM 328 N PHE A 118 20.675 25.081 -0.282 1.00 24.42 N ATOM 329 CA PHE A 118 20.650 25.893 0.929 1.00 11.41 C ATOM 330 C PHE A 118 19.329 26.649 1.048 1.00 50.23 C ATOM 331 O PHE A 118 18.623 26.535 2.050 1.00 72.52 O ATOM 332 CB PHE A 118 21.818 26.881 0.932 1.00 41.22 C ATOM 333 CG PHE A 118 23.157 26.225 1.113 1.00 73.45 C ATOM 334 CD1 PHE A 118 23.596 25.853 2.373 1.00 74.21 C ATOM 335 CD2 PHE A 118 23.976 25.979 0.023 1.00 42.42 C ATOM 336 CE1 PHE A 118 24.828 25.249 2.542 1.00 1.52 C ATOM 337 CE2 PHE A 118 25.209 25.376 0.186 1.00 5.31 C ATOM 338 CZ PHE A 118 25.635 25.010 1.448 1.00 62.44 C ATOM 0 H PHE A 118 21.566 25.091 -0.778 1.00 24.42 H new ATOM 0 HA PHE A 118 20.747 25.226 1.786 1.00 11.41 H new ATOM 0 HB2 PHE A 118 21.818 27.435 -0.007 1.00 41.22 H new ATOM 0 HB3 PHE A 118 21.667 27.607 1.731 1.00 41.22 H new ATOM 0 HD1 PHE A 118 22.969 26.037 3.233 1.00 74.21 H new ATOM 0 HD2 PHE A 118 23.647 26.262 -0.966 1.00 42.42 H new ATOM 0 HE1 PHE A 118 25.159 24.964 3.530 1.00 1.52 H new ATOM 0 HE2 PHE A 118 25.838 25.191 -0.672 1.00 5.31 H new ATOM 0 HZ PHE A 118 26.598 24.538 1.578 1.00 62.44 H new ATOM 348 N PHE A 119 19.003 27.423 0.018 1.00 52.44 N ATOM 349 CA PHE A 119 17.768 28.200 0.007 1.00 64.14 C ATOM 350 C PHE A 119 16.579 27.336 0.414 1.00 50.23 C ATOM 351 O PHE A 119 15.763 27.736 1.246 1.00 42.32 O ATOM 352 CB PHE A 119 17.529 28.796 -1.382 1.00 70.20 C ATOM 353 CG PHE A 119 16.902 30.160 -1.349 1.00 14.52 C ATOM 354 CD1 PHE A 119 17.518 31.204 -0.680 1.00 10.54 C ATOM 355 CD2 PHE A 119 15.695 30.397 -1.988 1.00 14.23 C ATOM 356 CE1 PHE A 119 16.942 32.461 -0.647 1.00 13.12 C ATOM 357 CE2 PHE A 119 15.114 31.651 -1.958 1.00 40.14 C ATOM 358 CZ PHE A 119 15.739 32.685 -1.289 1.00 31.44 C ATOM 0 H PHE A 119 19.576 27.529 -0.819 1.00 52.44 H new ATOM 0 HA PHE A 119 17.870 29.010 0.730 1.00 64.14 H new ATOM 0 HB2 PHE A 119 18.480 28.855 -1.912 1.00 70.20 H new ATOM 0 HB3 PHE A 119 16.887 28.124 -1.952 1.00 70.20 H new ATOM 0 HD1 PHE A 119 18.459 31.035 -0.178 1.00 10.54 H new ATOM 0 HD2 PHE A 119 15.203 29.593 -2.515 1.00 14.23 H new ATOM 0 HE1 PHE A 119 17.432 33.267 -0.120 1.00 13.12 H new ATOM 0 HE2 PHE A 119 14.172 31.822 -2.457 1.00 40.14 H new ATOM 0 HZ PHE A 119 15.289 33.666 -1.268 1.00 31.44 H new ATOM 368 N ARG A 120 16.485 26.150 -0.178 1.00 43.13 N ATOM 369 CA ARG A 120 15.394 25.231 0.122 1.00 64.34 C ATOM 370 C ARG A 120 14.053 25.824 -0.295 1.00 42.52 C ATOM 371 O ARG A 120 12.996 25.354 0.126 1.00 32.11 O ATOM 372 CB ARG A 120 15.376 24.897 1.614 1.00 53.55 C ATOM 373 CG ARG A 120 14.656 23.598 1.939 1.00 42.21 C ATOM 374 CD ARG A 120 15.575 22.397 1.779 1.00 55.32 C ATOM 375 NE ARG A 120 14.974 21.175 2.306 1.00 14.21 N ATOM 376 CZ ARG A 120 15.524 19.972 2.181 1.00 10.22 C ATOM 377 NH1 ARG A 120 16.682 19.832 1.550 1.00 31.11 N ATOM 378 NH2 ARG A 120 14.917 18.907 2.688 1.00 60.34 N ATOM 0 H ARG A 120 17.151 25.803 -0.868 1.00 43.13 H new ATOM 0 HA ARG A 120 15.558 24.315 -0.446 1.00 64.34 H new ATOM 0 HB2 ARG A 120 16.402 24.834 1.976 1.00 53.55 H new ATOM 0 HB3 ARG A 120 14.897 25.713 2.155 1.00 53.55 H new ATOM 0 HG2 ARG A 120 14.279 23.635 2.961 1.00 42.21 H new ATOM 0 HG3 ARG A 120 13.792 23.486 1.284 1.00 42.21 H new ATOM 0 HD2 ARG A 120 15.811 22.259 0.724 1.00 55.32 H new ATOM 0 HD3 ARG A 120 16.516 22.589 2.294 1.00 55.32 H new ATOM 0 HE ARG A 120 14.083 21.249 2.797 1.00 14.21 H new ATOM 0 HH11 ARG A 120 17.152 20.649 1.160 1.00 31.11 H new ATOM 0 HH12 ARG A 120 17.103 18.908 1.455 1.00 31.11 H new ATOM 0 HH21 ARG A 120 14.027 19.011 3.175 1.00 60.34 H new ATOM 0 HH22 ARG A 120 15.341 17.984 2.591 1.00 60.34 H new ATOM 392 N SER A 121 14.103 26.861 -1.126 1.00 1.44 N ATOM 393 CA SER A 121 12.892 27.523 -1.596 1.00 54.01 C ATOM 394 C SER A 121 12.776 27.431 -3.115 1.00 24.32 C ATOM 395 O SER A 121 11.713 27.677 -3.684 1.00 31.22 O ATOM 396 CB SER A 121 12.884 28.990 -1.161 1.00 43.33 C ATOM 397 OG SER A 121 11.804 29.257 -0.284 1.00 52.25 O ATOM 0 H SER A 121 14.969 27.260 -1.487 1.00 1.44 H new ATOM 0 HA SER A 121 12.036 27.015 -1.152 1.00 54.01 H new ATOM 0 HB2 SER A 121 13.825 29.231 -0.667 1.00 43.33 H new ATOM 0 HB3 SER A 121 12.811 29.632 -2.039 1.00 43.33 H new ATOM 0 HG SER A 121 11.823 30.200 -0.020 1.00 52.25 H new ATOM 403 N ALA A 122 13.879 27.074 -3.765 1.00 1.31 N ATOM 404 CA ALA A 122 13.903 26.946 -5.216 1.00 62.13 C ATOM 405 C ALA A 122 14.509 25.613 -5.640 1.00 65.35 C ATOM 406 O ALA A 122 15.570 25.571 -6.263 1.00 41.03 O ATOM 407 CB ALA A 122 14.678 28.101 -5.835 1.00 32.25 C ATOM 0 H ALA A 122 14.768 26.868 -3.309 1.00 1.31 H new ATOM 0 HA ALA A 122 12.875 26.978 -5.576 1.00 62.13 H new ATOM 0 HB1 ALA A 122 14.688 27.993 -6.920 1.00 32.25 H new ATOM 0 HB2 ALA A 122 14.200 29.044 -5.569 1.00 32.25 H new ATOM 0 HB3 ALA A 122 15.702 28.095 -5.460 1.00 32.25 H new ATOM 413 N CYS A 123 13.829 24.524 -5.299 1.00 1.23 N ATOM 414 CA CYS A 123 14.300 23.188 -5.643 1.00 1.01 C ATOM 415 C CYS A 123 14.203 22.947 -7.147 1.00 30.34 C ATOM 416 O CYS A 123 13.417 23.594 -7.840 1.00 31.52 O ATOM 417 CB CYS A 123 13.489 22.129 -4.892 1.00 42.13 C ATOM 418 SG CYS A 123 13.287 22.470 -3.114 1.00 64.45 S ATOM 0 H CYS A 123 12.949 24.541 -4.784 1.00 1.23 H new ATOM 0 HA CYS A 123 15.346 23.112 -5.347 1.00 1.01 H new ATOM 0 HB2 CYS A 123 12.503 22.049 -5.350 1.00 42.13 H new ATOM 0 HB3 CYS A 123 13.976 21.161 -5.012 1.00 42.13 H new ATOM 423 N TYR A 124 15.007 22.014 -7.644 1.00 31.34 N ATOM 424 CA TYR A 124 15.014 21.689 -9.065 1.00 51.20 C ATOM 425 C TYR A 124 15.241 20.196 -9.281 1.00 42.31 C ATOM 426 O TYR A 124 15.723 19.493 -8.391 1.00 54.12 O ATOM 427 CB TYR A 124 16.097 22.491 -9.787 1.00 22.10 C ATOM 428 CG TYR A 124 17.328 22.741 -8.945 1.00 61.45 C ATOM 429 CD1 TYR A 124 18.356 21.807 -8.890 1.00 44.30 C ATOM 430 CD2 TYR A 124 17.465 23.909 -8.206 1.00 54.12 C ATOM 431 CE1 TYR A 124 19.482 22.030 -8.121 1.00 63.32 C ATOM 432 CE2 TYR A 124 18.588 24.141 -7.438 1.00 0.14 C ATOM 433 CZ TYR A 124 19.594 23.199 -7.398 1.00 2.20 C ATOM 434 OH TYR A 124 20.714 23.426 -6.632 1.00 24.23 O ATOM 0 H TYR A 124 15.663 21.469 -7.084 1.00 31.34 H new ATOM 0 HA TYR A 124 14.040 21.953 -9.477 1.00 51.20 H new ATOM 0 HB2 TYR A 124 16.388 21.959 -10.693 1.00 22.10 H new ATOM 0 HB3 TYR A 124 15.680 23.448 -10.100 1.00 22.10 H new ATOM 0 HD1 TYR A 124 18.273 20.892 -9.458 1.00 44.30 H new ATOM 0 HD2 TYR A 124 16.679 24.649 -8.233 1.00 54.12 H new ATOM 0 HE1 TYR A 124 20.270 21.293 -8.086 1.00 63.32 H new ATOM 0 HE2 TYR A 124 18.678 25.056 -6.871 1.00 0.14 H new ATOM 0 HH TYR A 124 20.753 24.373 -6.382 1.00 24.23 H new ATOM 444 N CYS A 125 14.892 19.717 -10.471 1.00 24.01 N ATOM 445 CA CYS A 125 15.057 18.308 -10.807 1.00 4.42 C ATOM 446 C CYS A 125 16.523 17.983 -11.082 1.00 14.24 C ATOM 447 O CYS A 125 17.019 18.192 -12.188 1.00 70.32 O ATOM 448 CB CYS A 125 14.207 17.952 -12.028 1.00 32.44 C ATOM 449 SG CYS A 125 12.676 17.046 -11.629 1.00 5.41 S ATOM 0 H CYS A 125 14.493 20.285 -11.219 1.00 24.01 H new ATOM 0 HA CYS A 125 14.725 17.715 -9.955 1.00 4.42 H new ATOM 0 HB2 CYS A 125 13.947 18.869 -12.556 1.00 32.44 H new ATOM 0 HB3 CYS A 125 14.806 17.350 -12.711 1.00 32.44 H new ATOM 454 N ARG A 126 17.209 17.470 -10.066 1.00 42.21 N ATOM 455 CA ARG A 126 18.617 17.116 -10.197 1.00 3.33 C ATOM 456 C ARG A 126 18.801 15.602 -10.190 1.00 35.14 C ATOM 457 O ARG A 126 18.214 14.899 -9.366 1.00 54.01 O ATOM 458 CB ARG A 126 19.430 17.744 -9.063 1.00 22.24 C ATOM 459 CG ARG A 126 20.934 17.635 -9.259 1.00 10.02 C ATOM 460 CD ARG A 126 21.673 18.748 -8.532 1.00 34.24 C ATOM 461 NE ARG A 126 22.110 19.801 -9.444 1.00 44.01 N ATOM 462 CZ ARG A 126 23.165 19.690 -10.243 1.00 60.52 C ATOM 463 NH1 ARG A 126 23.886 18.576 -10.244 1.00 14.05 N ATOM 464 NH2 ARG A 126 23.500 20.692 -11.045 1.00 63.52 N ATOM 0 H ARG A 126 16.813 17.290 -9.143 1.00 42.21 H new ATOM 0 HA ARG A 126 18.975 17.503 -11.151 1.00 3.33 H new ATOM 0 HB2 ARG A 126 19.159 18.796 -8.972 1.00 22.24 H new ATOM 0 HB3 ARG A 126 19.159 17.263 -8.123 1.00 22.24 H new ATOM 0 HG2 ARG A 126 21.280 16.668 -8.894 1.00 10.02 H new ATOM 0 HG3 ARG A 126 21.167 17.676 -10.323 1.00 10.02 H new ATOM 0 HD2 ARG A 126 21.023 19.176 -7.769 1.00 34.24 H new ATOM 0 HD3 ARG A 126 22.539 18.332 -8.017 1.00 34.24 H new ATOM 0 HE ARG A 126 21.576 20.670 -9.469 1.00 44.01 H new ATOM 0 HH11 ARG A 126 23.630 17.803 -9.630 1.00 14.05 H new ATOM 0 HH12 ARG A 126 24.696 18.493 -10.859 1.00 14.05 H new ATOM 0 HH21 ARG A 126 22.947 21.549 -11.049 1.00 63.52 H new ATOM 0 HH22 ARG A 126 24.311 20.605 -11.658 1.00 63.52 H new ATOM 478 N VAL A 127 19.618 15.105 -11.112 1.00 24.11 N ATOM 479 CA VAL A 127 19.879 13.674 -11.213 1.00 13.52 C ATOM 480 C VAL A 127 20.886 13.224 -10.159 1.00 54.30 C ATOM 481 O VAL A 127 22.075 13.529 -10.250 1.00 5.51 O ATOM 482 CB VAL A 127 20.410 13.297 -12.608 1.00 73.12 C ATOM 483 CG1 VAL A 127 19.302 13.395 -13.645 1.00 44.12 C ATOM 484 CG2 VAL A 127 21.587 14.182 -12.987 1.00 11.02 C ATOM 0 H VAL A 127 20.111 15.673 -11.801 1.00 24.11 H new ATOM 0 HA VAL A 127 18.929 13.166 -11.045 1.00 13.52 H new ATOM 0 HB VAL A 127 20.757 12.264 -12.579 1.00 73.12 H new ATOM 0 HG11 VAL A 127 19.696 13.125 -14.625 1.00 44.12 H new ATOM 0 HG12 VAL A 127 18.493 12.714 -13.379 1.00 44.12 H new ATOM 0 HG13 VAL A 127 18.922 14.416 -13.676 1.00 44.12 H new ATOM 0 HG21 VAL A 127 21.950 13.901 -13.976 1.00 11.02 H new ATOM 0 HG22 VAL A 127 21.269 15.225 -12.999 1.00 11.02 H new ATOM 0 HG23 VAL A 127 22.387 14.055 -12.258 1.00 11.02 H new ATOM 494 N LEU A 128 20.401 12.496 -9.159 1.00 71.14 N ATOM 495 CA LEU A 128 21.258 12.001 -8.087 1.00 3.13 C ATOM 496 C LEU A 128 21.606 10.532 -8.302 1.00 1.02 C ATOM 497 O LEU A 128 21.877 9.803 -7.347 1.00 61.13 O ATOM 498 CB LEU A 128 20.570 12.183 -6.734 1.00 15.04 C ATOM 499 CG LEU A 128 20.069 13.592 -6.418 1.00 11.42 C ATOM 500 CD1 LEU A 128 18.711 13.536 -5.734 1.00 42.44 C ATOM 501 CD2 LEU A 128 21.074 14.334 -5.549 1.00 63.21 C ATOM 0 H LEU A 128 19.419 12.235 -9.068 1.00 71.14 H new ATOM 0 HA LEU A 128 22.183 12.578 -8.098 1.00 3.13 H new ATOM 0 HB2 LEU A 128 19.723 11.499 -6.685 1.00 15.04 H new ATOM 0 HB3 LEU A 128 21.267 11.883 -5.952 1.00 15.04 H new ATOM 0 HG LEU A 128 19.959 14.135 -7.357 1.00 11.42 H new ATOM 0 HD11 LEU A 128 18.371 14.549 -5.517 1.00 42.44 H new ATOM 0 HD12 LEU A 128 17.993 13.045 -6.391 1.00 42.44 H new ATOM 0 HD13 LEU A 128 18.795 12.974 -4.804 1.00 42.44 H new ATOM 0 HD21 LEU A 128 20.700 15.335 -5.334 1.00 63.21 H new ATOM 0 HD22 LEU A 128 21.217 13.792 -4.614 1.00 63.21 H new ATOM 0 HD23 LEU A 128 22.026 14.407 -6.075 1.00 63.21 H new ATOM 513 N SER A 129 21.598 10.105 -9.560 1.00 51.10 N ATOM 514 CA SER A 129 21.911 8.722 -9.900 1.00 62.10 C ATOM 515 C SER A 129 23.308 8.613 -10.505 1.00 11.34 C ATOM 516 O SER A 129 24.073 7.707 -10.172 1.00 13.04 O ATOM 517 CB SER A 129 20.875 8.167 -10.879 1.00 2.33 C ATOM 518 OG SER A 129 19.626 7.966 -10.241 1.00 31.03 O ATOM 0 H SER A 129 21.378 10.697 -10.361 1.00 51.10 H new ATOM 0 HA SER A 129 21.884 8.135 -8.982 1.00 62.10 H new ATOM 0 HB2 SER A 129 20.753 8.857 -11.714 1.00 2.33 H new ATOM 0 HB3 SER A 129 21.231 7.224 -11.294 1.00 2.33 H new ATOM 0 HG SER A 129 18.981 7.613 -10.889 1.00 31.03 H new ATOM 524 N LEU A 130 23.634 9.544 -11.393 1.00 65.12 N ATOM 525 CA LEU A 130 24.939 9.556 -12.046 1.00 21.23 C ATOM 526 C LEU A 130 25.163 8.271 -12.838 1.00 43.43 C ATOM 527 O LEU A 130 26.299 7.899 -13.127 1.00 21.32 O ATOM 528 CB LEU A 130 26.049 9.728 -11.007 1.00 44.24 C ATOM 529 CG LEU A 130 25.866 10.876 -10.014 1.00 60.10 C ATOM 530 CD1 LEU A 130 26.725 10.654 -8.779 1.00 14.22 C ATOM 531 CD2 LEU A 130 26.205 12.207 -10.669 1.00 72.25 C ATOM 0 H LEU A 130 23.013 10.301 -11.678 1.00 65.12 H new ATOM 0 HA LEU A 130 24.964 10.397 -12.739 1.00 21.23 H new ATOM 0 HB2 LEU A 130 26.140 8.799 -10.445 1.00 44.24 H new ATOM 0 HB3 LEU A 130 26.992 9.876 -11.533 1.00 44.24 H new ATOM 0 HG LEU A 130 24.821 10.902 -9.706 1.00 60.10 H new ATOM 0 HD11 LEU A 130 26.582 11.481 -8.083 1.00 14.22 H new ATOM 0 HD12 LEU A 130 26.435 9.720 -8.297 1.00 14.22 H new ATOM 0 HD13 LEU A 130 27.774 10.602 -9.070 1.00 14.22 H new ATOM 0 HD21 LEU A 130 26.069 13.013 -9.948 1.00 72.25 H new ATOM 0 HD22 LEU A 130 27.241 12.193 -11.006 1.00 72.25 H new ATOM 0 HD23 LEU A 130 25.548 12.370 -11.523 1.00 72.25 H new ATOM 543 N ASN A 131 24.070 7.600 -13.188 1.00 30.53 N ATOM 544 CA ASN A 131 24.147 6.358 -13.948 1.00 52.31 C ATOM 545 C ASN A 131 23.387 6.478 -15.266 1.00 13.53 C ATOM 546 O ASN A 131 23.777 5.892 -16.276 1.00 50.23 O ATOM 547 CB ASN A 131 23.585 5.196 -13.126 1.00 53.55 C ATOM 548 CG ASN A 131 24.581 4.670 -12.112 1.00 11.52 C ATOM 549 OD1 ASN A 131 25.498 5.381 -11.699 1.00 2.32 O ATOM 550 ND2 ASN A 131 24.405 3.419 -11.704 1.00 31.33 N ATOM 0 H ASN A 131 23.121 7.896 -12.957 1.00 30.53 H new ATOM 0 HA ASN A 131 25.196 6.163 -14.171 1.00 52.31 H new ATOM 0 HB2 ASN A 131 22.683 5.523 -12.609 1.00 53.55 H new ATOM 0 HB3 ASN A 131 23.293 4.388 -13.797 1.00 53.55 H new ATOM 0 HD21 ASN A 131 25.043 3.011 -11.021 1.00 31.33 H new ATOM 0 HD22 ASN A 131 23.631 2.866 -12.073 1.00 31.33 H new ATOM 557 N CYS A 132 22.301 7.243 -15.247 1.00 13.12 N ATOM 558 CA CYS A 132 21.485 7.442 -16.439 1.00 0.13 C ATOM 559 C CYS A 132 22.220 8.301 -17.465 1.00 34.54 C ATOM 560 O CYS A 132 22.426 9.496 -17.254 1.00 30.30 O ATOM 561 CB CYS A 132 20.154 8.100 -16.068 1.00 14.22 C ATOM 562 SG CYS A 132 19.038 7.028 -15.106 1.00 55.13 S ATOM 0 H CYS A 132 21.965 7.735 -14.419 1.00 13.12 H new ATOM 0 HA CYS A 132 21.290 6.465 -16.881 1.00 0.13 H new ATOM 0 HB2 CYS A 132 20.355 9.005 -15.494 1.00 14.22 H new ATOM 0 HB3 CYS A 132 19.646 8.408 -16.982 1.00 14.22 H new