USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 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 1 SER N :NH3+ -121:sc= 0.112 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.0813 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -7.67! C(o=-7.7!,f=-19!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= -0.114 (180deg=-0.205) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 55:sc= 0.0163 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.34 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.931 0.187 -0.055 1.00 11.34 N ATOM 2 CA SER A 1 3.013 -0.084 -1.485 1.00 32.20 C ATOM 3 C SER A 1 3.634 -1.453 -1.743 1.00 64.34 C ATOM 4 O SER A 1 4.107 -2.116 -0.821 1.00 23.51 O ATOM 5 CB SER A 1 3.833 1.001 -2.185 1.00 53.14 C ATOM 6 OG SER A 1 5.222 0.751 -2.061 1.00 71.43 O ATOM 0 H1 SER A 1 1.939 0.350 0.211 1.00 11.34 H new ATOM 0 H2 SER A 1 3.302 -0.628 0.475 1.00 11.34 H new ATOM 0 H3 SER A 1 3.493 1.032 0.171 1.00 11.34 H new ATOM 0 HA SER A 1 2.001 -0.081 -1.889 1.00 32.20 H new ATOM 0 HB2 SER A 1 3.561 1.043 -3.240 1.00 53.14 H new ATOM 0 HB3 SER A 1 3.596 1.974 -1.755 1.00 53.14 H new ATOM 0 HG SER A 1 5.724 1.458 -2.518 1.00 71.43 H new ATOM 12 N ALA A 2 3.629 -1.870 -3.005 1.00 43.24 N ATOM 13 CA ALA A 2 4.194 -3.158 -3.387 1.00 32.30 C ATOM 14 C ALA A 2 5.695 -3.050 -3.630 1.00 3.51 C ATOM 15 O ALA A 2 6.223 -1.957 -3.840 1.00 64.44 O ATOM 16 CB ALA A 2 3.494 -3.695 -4.627 1.00 0.21 C ATOM 0 H ALA A 2 3.240 -1.334 -3.780 1.00 43.24 H new ATOM 0 HA ALA A 2 4.036 -3.854 -2.563 1.00 32.30 H new ATOM 0 HB1 ALA A 2 3.926 -4.657 -4.901 1.00 0.21 H new ATOM 0 HB2 ALA A 2 2.431 -3.820 -4.419 1.00 0.21 H new ATOM 0 HB3 ALA A 2 3.622 -2.992 -5.450 1.00 0.21 H new ATOM 22 N LYS A 3 6.379 -4.188 -3.599 1.00 30.41 N ATOM 23 CA LYS A 3 7.820 -4.222 -3.816 1.00 64.33 C ATOM 24 C LYS A 3 8.181 -5.215 -4.917 1.00 44.51 C ATOM 25 O LYS A 3 7.304 -5.835 -5.519 1.00 5.04 O ATOM 26 CB LYS A 3 8.544 -4.596 -2.521 1.00 33.44 C ATOM 27 CG LYS A 3 7.943 -5.800 -1.814 1.00 43.35 C ATOM 28 CD LYS A 3 6.928 -5.381 -0.765 1.00 14.12 C ATOM 29 CE LYS A 3 7.580 -5.186 0.595 1.00 34.55 C ATOM 30 NZ LYS A 3 6.585 -4.816 1.640 1.00 53.24 N ATOM 0 H LYS A 3 5.958 -5.101 -3.425 1.00 30.41 H new ATOM 0 HA LYS A 3 8.138 -3.227 -4.128 1.00 64.33 H new ATOM 0 HB2 LYS A 3 9.590 -4.802 -2.746 1.00 33.44 H new ATOM 0 HB3 LYS A 3 8.526 -3.741 -1.845 1.00 33.44 H new ATOM 0 HG2 LYS A 3 7.464 -6.451 -2.545 1.00 43.35 H new ATOM 0 HG3 LYS A 3 8.737 -6.380 -1.343 1.00 43.35 H new ATOM 0 HD2 LYS A 3 6.445 -4.454 -1.074 1.00 14.12 H new ATOM 0 HD3 LYS A 3 6.147 -6.138 -0.690 1.00 14.12 H new ATOM 0 HE2 LYS A 3 8.090 -6.104 0.888 1.00 34.55 H new ATOM 0 HE3 LYS A 3 8.340 -4.407 0.525 1.00 34.55 H new ATOM 0 HZ1 LYS A 3 7.069 -4.692 2.552 1.00 53.24 H new ATOM 0 HZ2 LYS A 3 6.116 -3.927 1.373 1.00 53.24 H new ATOM 0 HZ3 LYS A 3 5.874 -5.570 1.725 1.00 53.24 H new ATOM 44 N ASP A 4 9.476 -5.360 -5.174 1.00 65.24 N ATOM 45 CA ASP A 4 9.953 -6.279 -6.201 1.00 64.32 C ATOM 46 C ASP A 4 9.733 -7.728 -5.778 1.00 71.43 C ATOM 47 O ASP A 4 10.124 -8.133 -4.684 1.00 44.14 O ATOM 48 CB ASP A 4 11.437 -6.037 -6.483 1.00 60.42 C ATOM 49 CG ASP A 4 11.897 -6.697 -7.768 1.00 62.22 C ATOM 50 OD1 ASP A 4 11.032 -7.158 -8.541 1.00 34.31 O ATOM 51 OD2 ASP A 4 13.123 -6.753 -8.001 1.00 22.42 O ATOM 0 H ASP A 4 10.214 -4.853 -4.686 1.00 65.24 H new ATOM 0 HA ASP A 4 9.383 -6.094 -7.112 1.00 64.32 H new ATOM 0 HB2 ASP A 4 11.622 -4.965 -6.542 1.00 60.42 H new ATOM 0 HB3 ASP A 4 12.029 -6.417 -5.650 1.00 60.42 H new ATOM 56 N GLY A 5 9.102 -8.506 -6.653 1.00 52.33 N ATOM 57 CA GLY A 5 8.839 -9.901 -6.352 1.00 0.31 C ATOM 58 C GLY A 5 7.451 -10.120 -5.784 1.00 12.41 C ATOM 59 O GLY A 5 7.181 -11.149 -5.164 1.00 45.32 O ATOM 0 H GLY A 5 8.768 -8.195 -7.565 1.00 52.33 H new ATOM 0 HA2 GLY A 5 8.954 -10.493 -7.260 1.00 0.31 H new ATOM 0 HA3 GLY A 5 9.581 -10.262 -5.640 1.00 0.31 H new ATOM 63 N ASP A 6 6.568 -9.149 -5.994 1.00 30.45 N ATOM 64 CA ASP A 6 5.200 -9.240 -5.497 1.00 73.31 C ATOM 65 C ASP A 6 4.263 -9.770 -6.579 1.00 24.34 C ATOM 66 O ASP A 6 4.363 -9.386 -7.744 1.00 10.42 O ATOM 67 CB ASP A 6 4.718 -7.872 -5.014 1.00 11.52 C ATOM 68 CG ASP A 6 3.849 -7.968 -3.775 1.00 43.20 C ATOM 69 OD1 ASP A 6 3.094 -8.955 -3.656 1.00 12.31 O ATOM 70 OD2 ASP A 6 3.924 -7.056 -2.925 1.00 4.30 O ATOM 0 H ASP A 6 6.775 -8.291 -6.505 1.00 30.45 H new ATOM 0 HA ASP A 6 5.190 -9.937 -4.659 1.00 73.31 H new ATOM 0 HB2 ASP A 6 5.581 -7.241 -4.801 1.00 11.52 H new ATOM 0 HB3 ASP A 6 4.156 -7.386 -5.811 1.00 11.52 H new ATOM 75 N VAL A 7 3.354 -10.657 -6.185 1.00 3.42 N ATOM 76 CA VAL A 7 2.400 -11.240 -7.120 1.00 51.32 C ATOM 77 C VAL A 7 0.995 -11.264 -6.528 1.00 40.45 C ATOM 78 O VAL A 7 0.817 -11.108 -5.321 1.00 4.11 O ATOM 79 CB VAL A 7 2.804 -12.673 -7.513 1.00 72.15 C ATOM 80 CG1 VAL A 7 4.147 -12.673 -8.227 1.00 3.24 C ATOM 81 CG2 VAL A 7 2.843 -13.571 -6.286 1.00 74.02 C ATOM 0 H VAL A 7 3.259 -10.987 -5.225 1.00 3.42 H new ATOM 0 HA VAL A 7 2.405 -10.612 -8.011 1.00 51.32 H new ATOM 0 HB VAL A 7 2.055 -13.067 -8.200 1.00 72.15 H new ATOM 0 HG11 VAL A 7 4.416 -13.694 -8.497 1.00 3.24 H new ATOM 0 HG12 VAL A 7 4.079 -12.065 -9.129 1.00 3.24 H new ATOM 0 HG13 VAL A 7 4.910 -12.259 -7.567 1.00 3.24 H new ATOM 0 HG21 VAL A 7 3.130 -14.580 -6.582 1.00 74.02 H new ATOM 0 HG22 VAL A 7 3.570 -13.182 -5.573 1.00 74.02 H new ATOM 0 HG23 VAL A 7 1.857 -13.596 -5.822 1.00 74.02 H new ATOM 91 N GLU A 8 0.000 -11.460 -7.388 1.00 0.01 N ATOM 92 CA GLU A 8 -1.390 -11.504 -6.949 1.00 41.13 C ATOM 93 C GLU A 8 -2.073 -12.780 -7.432 1.00 62.24 C ATOM 94 O GLU A 8 -1.810 -13.259 -8.535 1.00 1.23 O ATOM 95 CB GLU A 8 -2.149 -10.280 -7.464 1.00 55.44 C ATOM 96 CG GLU A 8 -2.009 -9.057 -6.574 1.00 3.23 C ATOM 97 CD GLU A 8 -3.167 -8.090 -6.723 1.00 40.43 C ATOM 98 OE1 GLU A 8 -4.215 -8.317 -6.083 1.00 53.15 O ATOM 99 OE2 GLU A 8 -3.026 -7.106 -7.480 1.00 23.23 O ATOM 0 H GLU A 8 0.130 -11.591 -8.391 1.00 0.01 H new ATOM 0 HA GLU A 8 -1.401 -11.497 -5.859 1.00 41.13 H new ATOM 0 HB2 GLU A 8 -1.790 -10.034 -8.463 1.00 55.44 H new ATOM 0 HB3 GLU A 8 -3.205 -10.531 -7.558 1.00 55.44 H new ATOM 0 HG2 GLU A 8 -1.938 -9.376 -5.534 1.00 3.23 H new ATOM 0 HG3 GLU A 8 -1.078 -8.543 -6.814 1.00 3.23 H new ATOM 106 N GLY A 9 -2.952 -13.327 -6.597 1.00 45.14 N ATOM 107 CA GLY A 9 -3.658 -14.543 -6.956 1.00 13.42 C ATOM 108 C GLY A 9 -3.751 -15.521 -5.802 1.00 24.21 C ATOM 109 O GLY A 9 -3.512 -15.174 -4.645 1.00 61.21 O ATOM 0 H GLY A 9 -3.187 -12.950 -5.679 1.00 45.14 H new ATOM 0 HA2 GLY A 9 -4.662 -14.290 -7.295 1.00 13.42 H new ATOM 0 HA3 GLY A 9 -3.150 -15.021 -7.793 1.00 13.42 H new ATOM 113 N PRO A 10 -4.106 -16.777 -6.113 1.00 14.44 N ATOM 114 CA PRO A 10 -4.239 -17.834 -5.106 1.00 13.11 C ATOM 115 C PRO A 10 -2.893 -18.255 -4.526 1.00 52.41 C ATOM 116 O PRO A 10 -1.895 -18.331 -5.242 1.00 31.21 O ATOM 117 CB PRO A 10 -4.870 -18.990 -5.887 1.00 10.35 C ATOM 118 CG PRO A 10 -4.470 -18.754 -7.302 1.00 52.51 C ATOM 119 CD PRO A 10 -4.406 -17.261 -7.471 1.00 0.33 C ATOM 0 HA PRO A 10 -4.828 -17.509 -4.249 1.00 13.11 H new ATOM 0 HB2 PRO A 10 -4.508 -19.954 -5.529 1.00 10.35 H new ATOM 0 HB3 PRO A 10 -5.955 -18.996 -5.778 1.00 10.35 H new ATOM 0 HG2 PRO A 10 -3.505 -19.213 -7.516 1.00 52.51 H new ATOM 0 HG3 PRO A 10 -5.192 -19.194 -7.990 1.00 52.51 H new ATOM 0 HD2 PRO A 10 -3.632 -16.970 -8.182 1.00 0.33 H new ATOM 0 HD3 PRO A 10 -5.348 -16.858 -7.842 1.00 0.33 H new ATOM 127 N ALA A 11 -2.873 -18.527 -3.225 1.00 54.34 N ATOM 128 CA ALA A 11 -1.650 -18.942 -2.550 1.00 72.44 C ATOM 129 C ALA A 11 -1.125 -20.254 -3.124 1.00 34.31 C ATOM 130 O ALA A 11 -1.830 -21.263 -3.137 1.00 44.02 O ATOM 131 CB ALA A 11 -1.893 -19.078 -1.054 1.00 43.55 C ATOM 0 H ALA A 11 -3.690 -18.467 -2.618 1.00 54.34 H new ATOM 0 HA ALA A 11 -0.894 -18.174 -2.716 1.00 72.44 H new ATOM 0 HB1 ALA A 11 -0.971 -19.389 -0.562 1.00 43.55 H new ATOM 0 HB2 ALA A 11 -2.215 -18.119 -0.649 1.00 43.55 H new ATOM 0 HB3 ALA A 11 -2.667 -19.824 -0.878 1.00 43.55 H new ATOM 137 N GLY A 12 0.117 -20.233 -3.598 1.00 53.01 N ATOM 138 CA GLY A 12 0.714 -21.427 -4.167 1.00 40.22 C ATOM 139 C GLY A 12 0.855 -21.343 -5.674 1.00 54.11 C ATOM 140 O GLY A 12 1.264 -22.307 -6.322 1.00 34.13 O ATOM 0 H GLY A 12 0.720 -19.411 -3.598 1.00 53.01 H new ATOM 0 HA2 GLY A 12 1.696 -21.586 -3.722 1.00 40.22 H new ATOM 0 HA3 GLY A 12 0.103 -22.293 -3.910 1.00 40.22 H new ATOM 144 N CYS A 13 0.513 -20.188 -6.235 1.00 44.32 N ATOM 145 CA CYS A 13 0.601 -19.981 -7.676 1.00 22.23 C ATOM 146 C CYS A 13 2.054 -20.004 -8.141 1.00 24.31 C ATOM 147 O CYS A 13 2.957 -20.348 -7.378 1.00 3.34 O ATOM 148 CB CYS A 13 -0.048 -18.651 -8.062 1.00 13.12 C ATOM 149 SG CYS A 13 0.896 -17.183 -7.539 1.00 72.12 S ATOM 0 H CYS A 13 0.172 -19.380 -5.713 1.00 44.32 H new ATOM 0 HA CYS A 13 0.067 -20.794 -8.168 1.00 22.23 H new ATOM 0 HB2 CYS A 13 -0.175 -18.622 -9.144 1.00 13.12 H new ATOM 0 HB3 CYS A 13 -1.045 -18.604 -7.623 1.00 13.12 H new ATOM 154 N LYS A 14 2.273 -19.636 -9.399 1.00 31.13 N ATOM 155 CA LYS A 14 3.615 -19.612 -9.967 1.00 64.33 C ATOM 156 C LYS A 14 4.058 -18.182 -10.257 1.00 5.34 C ATOM 157 O LYS A 14 3.543 -17.533 -11.167 1.00 53.01 O ATOM 158 CB LYS A 14 3.662 -20.442 -11.253 1.00 11.34 C ATOM 159 CG LYS A 14 3.060 -21.828 -11.104 1.00 22.43 C ATOM 160 CD LYS A 14 3.775 -22.634 -10.032 1.00 61.31 C ATOM 161 CE LYS A 14 4.449 -23.866 -10.618 1.00 13.05 C ATOM 162 NZ LYS A 14 4.459 -25.003 -9.656 1.00 14.34 N ATOM 0 H LYS A 14 1.537 -19.350 -10.045 1.00 31.13 H new ATOM 0 HA LYS A 14 4.299 -20.045 -9.237 1.00 64.33 H new ATOM 0 HB2 LYS A 14 3.131 -19.907 -12.040 1.00 11.34 H new ATOM 0 HB3 LYS A 14 4.699 -20.538 -11.576 1.00 11.34 H new ATOM 0 HG2 LYS A 14 2.003 -21.741 -10.851 1.00 22.43 H new ATOM 0 HG3 LYS A 14 3.118 -22.355 -12.056 1.00 22.43 H new ATOM 0 HD2 LYS A 14 4.521 -22.008 -9.542 1.00 61.31 H new ATOM 0 HD3 LYS A 14 3.061 -22.938 -9.267 1.00 61.31 H new ATOM 0 HE2 LYS A 14 3.930 -24.165 -11.529 1.00 13.05 H new ATOM 0 HE3 LYS A 14 5.473 -23.620 -10.900 1.00 13.05 H new ATOM 0 HZ1 LYS A 14 4.927 -25.823 -10.093 1.00 14.34 H new ATOM 0 HZ2 LYS A 14 4.976 -24.726 -8.797 1.00 14.34 H new ATOM 0 HZ3 LYS A 14 3.481 -25.255 -9.406 1.00 14.34 H new ATOM 176 N LYS A 15 5.018 -17.695 -9.477 1.00 64.42 N ATOM 177 CA LYS A 15 5.534 -16.343 -9.651 1.00 12.42 C ATOM 178 C LYS A 15 6.396 -16.246 -10.906 1.00 12.45 C ATOM 179 O LYS A 15 6.636 -17.244 -11.584 1.00 72.52 O ATOM 180 CB LYS A 15 6.349 -15.924 -8.425 1.00 63.23 C ATOM 181 CG LYS A 15 5.497 -15.584 -7.215 1.00 23.43 C ATOM 182 CD LYS A 15 5.427 -16.746 -6.238 1.00 64.41 C ATOM 183 CE LYS A 15 4.654 -16.374 -4.983 1.00 13.32 C ATOM 184 NZ LYS A 15 4.676 -17.467 -3.972 1.00 64.11 N ATOM 0 H LYS A 15 5.454 -18.218 -8.718 1.00 64.42 H new ATOM 0 HA LYS A 15 4.685 -15.669 -9.763 1.00 12.42 H new ATOM 0 HB2 LYS A 15 7.034 -16.730 -8.162 1.00 63.23 H new ATOM 0 HB3 LYS A 15 6.960 -15.059 -8.684 1.00 63.23 H new ATOM 0 HG2 LYS A 15 5.910 -14.709 -6.712 1.00 23.43 H new ATOM 0 HG3 LYS A 15 4.491 -15.320 -7.540 1.00 23.43 H new ATOM 0 HD2 LYS A 15 4.951 -17.600 -6.720 1.00 64.41 H new ATOM 0 HD3 LYS A 15 6.436 -17.056 -5.966 1.00 64.41 H new ATOM 0 HE2 LYS A 15 5.080 -15.470 -4.549 1.00 13.32 H new ATOM 0 HE3 LYS A 15 3.622 -16.145 -5.247 1.00 13.32 H new ATOM 0 HZ1 LYS A 15 4.138 -17.174 -3.132 1.00 64.11 H new ATOM 0 HZ2 LYS A 15 4.246 -18.323 -4.377 1.00 64.11 H new ATOM 0 HZ3 LYS A 15 5.659 -17.669 -3.700 1.00 64.11 H new ATOM 198 N TYR A 16 6.859 -15.038 -11.207 1.00 45.01 N ATOM 199 CA TYR A 16 7.694 -14.811 -12.381 1.00 2.12 C ATOM 200 C TYR A 16 8.971 -15.643 -12.310 1.00 41.05 C ATOM 201 O TYR A 16 9.422 -16.018 -11.228 1.00 60.21 O ATOM 202 CB TYR A 16 8.045 -13.327 -12.504 1.00 22.23 C ATOM 203 CG TYR A 16 8.801 -12.986 -13.768 1.00 60.51 C ATOM 204 CD1 TYR A 16 8.126 -12.704 -14.949 1.00 40.04 C ATOM 205 CD2 TYR A 16 10.190 -12.948 -13.782 1.00 72.01 C ATOM 206 CE1 TYR A 16 8.812 -12.393 -16.107 1.00 42.14 C ATOM 207 CE2 TYR A 16 10.884 -12.636 -14.935 1.00 22.41 C ATOM 208 CZ TYR A 16 10.191 -12.360 -16.095 1.00 1.11 C ATOM 209 OH TYR A 16 10.879 -12.050 -17.246 1.00 22.43 O ATOM 0 H TYR A 16 6.671 -14.201 -10.655 1.00 45.01 H new ATOM 0 HA TYR A 16 7.130 -15.118 -13.262 1.00 2.12 H new ATOM 0 HB2 TYR A 16 7.126 -12.741 -12.471 1.00 22.23 H new ATOM 0 HB3 TYR A 16 8.643 -13.031 -11.642 1.00 22.23 H new ATOM 0 HD1 TYR A 16 7.046 -12.728 -14.962 1.00 40.04 H new ATOM 0 HD2 TYR A 16 10.736 -13.166 -12.876 1.00 72.01 H new ATOM 0 HE1 TYR A 16 8.272 -12.177 -17.017 1.00 42.14 H new ATOM 0 HE2 TYR A 16 11.964 -12.608 -14.928 1.00 22.41 H new ATOM 0 HH TYR A 16 11.842 -12.069 -17.067 1.00 22.43 H new ATOM 219 N ASP A 17 9.549 -15.927 -13.472 1.00 51.14 N ATOM 220 CA ASP A 17 10.775 -16.713 -13.545 1.00 1.13 C ATOM 221 C ASP A 17 10.572 -18.095 -12.931 1.00 52.31 C ATOM 222 O ASP A 17 11.444 -18.609 -12.232 1.00 23.35 O ATOM 223 CB ASP A 17 11.915 -15.986 -12.829 1.00 71.22 C ATOM 224 CG ASP A 17 12.567 -14.931 -13.702 1.00 32.45 C ATOM 225 OD1 ASP A 17 12.673 -15.157 -14.925 1.00 52.30 O ATOM 226 OD2 ASP A 17 12.972 -13.881 -13.161 1.00 11.05 O ATOM 0 H ASP A 17 9.188 -15.624 -14.377 1.00 51.14 H new ATOM 0 HA ASP A 17 11.036 -16.837 -14.596 1.00 1.13 H new ATOM 0 HB2 ASP A 17 11.531 -15.517 -11.923 1.00 71.22 H new ATOM 0 HB3 ASP A 17 12.667 -16.712 -12.518 1.00 71.22 H new ATOM 231 N VAL A 18 9.414 -18.690 -13.197 1.00 74.32 N ATOM 232 CA VAL A 18 9.095 -20.012 -12.671 1.00 62.45 C ATOM 233 C VAL A 18 8.158 -20.766 -13.609 1.00 44.31 C ATOM 234 O VAL A 18 7.275 -20.173 -14.227 1.00 15.15 O ATOM 235 CB VAL A 18 8.445 -19.921 -11.278 1.00 52.23 C ATOM 236 CG1 VAL A 18 8.062 -21.304 -10.776 1.00 33.34 C ATOM 237 CG2 VAL A 18 9.380 -19.229 -10.299 1.00 3.35 C ATOM 0 H VAL A 18 8.681 -18.278 -13.774 1.00 74.32 H new ATOM 0 HA VAL A 18 10.037 -20.555 -12.589 1.00 62.45 H new ATOM 0 HB VAL A 18 7.535 -19.326 -11.359 1.00 52.23 H new ATOM 0 HG11 VAL A 18 7.604 -21.219 -9.790 1.00 33.34 H new ATOM 0 HG12 VAL A 18 7.353 -21.759 -11.468 1.00 33.34 H new ATOM 0 HG13 VAL A 18 8.954 -21.927 -10.709 1.00 33.34 H new ATOM 0 HG21 VAL A 18 8.905 -19.173 -9.320 1.00 3.35 H new ATOM 0 HG22 VAL A 18 10.308 -19.795 -10.220 1.00 3.35 H new ATOM 0 HG23 VAL A 18 9.598 -18.222 -10.654 1.00 3.35 H new ATOM 247 N GLU A 19 8.359 -22.076 -13.710 1.00 34.12 N ATOM 248 CA GLU A 19 7.531 -22.910 -14.573 1.00 61.51 C ATOM 249 C GLU A 19 6.095 -22.967 -14.061 1.00 12.13 C ATOM 250 O GLU A 19 5.805 -22.538 -12.943 1.00 72.24 O ATOM 251 CB GLU A 19 8.109 -24.324 -14.659 1.00 63.55 C ATOM 252 CG GLU A 19 8.007 -24.940 -16.045 1.00 22.22 C ATOM 253 CD GLU A 19 6.881 -25.950 -16.153 1.00 11.20 C ATOM 254 OE1 GLU A 19 6.672 -26.710 -15.185 1.00 32.34 O ATOM 255 OE2 GLU A 19 6.209 -25.980 -17.205 1.00 42.31 O ATOM 0 H GLU A 19 9.087 -22.582 -13.206 1.00 34.12 H new ATOM 0 HA GLU A 19 7.526 -22.465 -15.568 1.00 61.51 H new ATOM 0 HB2 GLU A 19 9.156 -24.298 -14.358 1.00 63.55 H new ATOM 0 HB3 GLU A 19 7.588 -24.964 -13.947 1.00 63.55 H new ATOM 0 HG2 GLU A 19 7.853 -24.149 -16.779 1.00 22.22 H new ATOM 0 HG3 GLU A 19 8.951 -25.426 -16.293 1.00 22.22 H new ATOM 262 N CYS A 20 5.199 -23.498 -14.886 1.00 20.31 N ATOM 263 CA CYS A 20 3.793 -23.611 -14.519 1.00 14.11 C ATOM 264 C CYS A 20 3.095 -24.678 -15.358 1.00 41.52 C ATOM 265 O CYS A 20 3.639 -25.151 -16.356 1.00 22.00 O ATOM 266 CB CYS A 20 3.088 -22.265 -14.697 1.00 40.52 C ATOM 267 SG CYS A 20 3.014 -21.687 -16.423 1.00 70.04 S ATOM 0 H CYS A 20 5.422 -23.857 -15.814 1.00 20.31 H new ATOM 0 HA CYS A 20 3.740 -23.906 -13.471 1.00 14.11 H new ATOM 0 HB2 CYS A 20 2.073 -22.344 -14.308 1.00 40.52 H new ATOM 0 HB3 CYS A 20 3.602 -21.515 -14.096 1.00 40.52 H new ATOM 272 N ASP A 21 1.888 -25.050 -14.947 1.00 23.33 N ATOM 273 CA ASP A 21 1.115 -26.060 -15.661 1.00 1.23 C ATOM 274 C ASP A 21 0.136 -25.408 -16.632 1.00 13.22 C ATOM 275 O ASP A 21 -0.412 -24.341 -16.354 1.00 20.12 O ATOM 276 CB ASP A 21 0.357 -26.947 -14.671 1.00 45.34 C ATOM 277 CG ASP A 21 0.334 -28.401 -15.098 1.00 63.31 C ATOM 278 OD1 ASP A 21 1.396 -28.916 -15.508 1.00 14.13 O ATOM 279 OD2 ASP A 21 -0.745 -29.025 -15.023 1.00 54.22 O ATOM 0 H ASP A 21 1.423 -24.668 -14.123 1.00 23.33 H new ATOM 0 HA ASP A 21 1.809 -26.677 -16.232 1.00 1.23 H new ATOM 0 HB2 ASP A 21 0.820 -26.867 -13.688 1.00 45.34 H new ATOM 0 HB3 ASP A 21 -0.666 -26.584 -14.572 1.00 45.34 H new ATOM 284 N SER A 22 -0.079 -26.056 -17.772 1.00 61.02 N ATOM 285 CA SER A 22 -0.988 -25.537 -18.787 1.00 14.10 C ATOM 286 C SER A 22 -0.582 -24.129 -19.211 1.00 52.14 C ATOM 287 O SER A 22 -1.409 -23.345 -19.675 1.00 75.20 O ATOM 288 CB SER A 22 -2.424 -25.528 -18.259 1.00 32.42 C ATOM 289 OG SER A 22 -2.955 -26.841 -18.203 1.00 22.25 O ATOM 0 H SER A 22 0.364 -26.942 -18.016 1.00 61.02 H new ATOM 0 HA SER A 22 -0.932 -26.190 -19.658 1.00 14.10 H new ATOM 0 HB2 SER A 22 -2.447 -25.080 -17.265 1.00 32.42 H new ATOM 0 HB3 SER A 22 -3.048 -24.907 -18.902 1.00 32.42 H new ATOM 0 HG SER A 22 -3.873 -26.808 -17.861 1.00 22.25 H new ATOM 295 N GLY A 23 0.700 -23.815 -19.049 1.00 34.03 N ATOM 296 CA GLY A 23 1.195 -22.502 -19.419 1.00 74.12 C ATOM 297 C GLY A 23 0.417 -21.381 -18.757 1.00 64.55 C ATOM 298 O GLY A 23 0.367 -20.265 -19.272 1.00 72.15 O ATOM 0 H GLY A 23 1.404 -24.447 -18.668 1.00 34.03 H new ATOM 0 HA2 GLY A 23 2.247 -22.423 -19.143 1.00 74.12 H new ATOM 0 HA3 GLY A 23 1.140 -22.388 -20.502 1.00 74.12 H new ATOM 302 N GLU A 24 -0.191 -21.680 -17.614 1.00 21.22 N ATOM 303 CA GLU A 24 -0.972 -20.689 -16.883 1.00 4.10 C ATOM 304 C GLU A 24 -0.141 -20.054 -15.771 1.00 41.25 C ATOM 305 O GLU A 24 0.452 -20.751 -14.948 1.00 62.51 O ATOM 306 CB GLU A 24 -2.228 -21.331 -16.292 1.00 72.40 C ATOM 307 CG GLU A 24 -3.287 -21.664 -17.330 1.00 12.04 C ATOM 308 CD GLU A 24 -4.289 -22.689 -16.833 1.00 42.52 C ATOM 309 OE1 GLU A 24 -3.974 -23.400 -15.856 1.00 12.31 O ATOM 310 OE2 GLU A 24 -5.386 -22.780 -17.422 1.00 14.55 O ATOM 0 H GLU A 24 -0.158 -22.600 -17.174 1.00 21.22 H new ATOM 0 HA GLU A 24 -1.268 -19.908 -17.584 1.00 4.10 H new ATOM 0 HB2 GLU A 24 -1.947 -22.244 -15.767 1.00 72.40 H new ATOM 0 HB3 GLU A 24 -2.657 -20.656 -15.551 1.00 72.40 H new ATOM 0 HG2 GLU A 24 -3.814 -20.752 -17.611 1.00 12.04 H new ATOM 0 HG3 GLU A 24 -2.802 -22.042 -18.230 1.00 12.04 H new ATOM 317 N CYS A 25 -0.103 -18.726 -15.755 1.00 4.33 N ATOM 318 CA CYS A 25 0.655 -17.995 -14.746 1.00 43.35 C ATOM 319 C CYS A 25 -0.278 -17.355 -13.723 1.00 2.53 C ATOM 320 O CYS A 25 -1.497 -17.347 -13.897 1.00 2.43 O ATOM 321 CB CYS A 25 1.519 -16.919 -15.408 1.00 61.21 C ATOM 322 SG CYS A 25 2.907 -17.578 -16.386 1.00 64.33 S ATOM 0 H CYS A 25 -0.588 -18.134 -16.429 1.00 4.33 H new ATOM 0 HA CYS A 25 1.302 -18.704 -14.229 1.00 43.35 H new ATOM 0 HB2 CYS A 25 0.889 -16.310 -16.056 1.00 61.21 H new ATOM 0 HB3 CYS A 25 1.914 -16.259 -14.636 1.00 61.21 H new ATOM 327 N CYS A 26 0.303 -16.818 -12.655 1.00 23.22 N ATOM 328 CA CYS A 26 -0.474 -16.176 -11.602 1.00 51.42 C ATOM 329 C CYS A 26 -1.380 -15.092 -12.180 1.00 1.44 C ATOM 330 O CYS A 26 -1.232 -14.697 -13.336 1.00 22.11 O ATOM 331 CB CYS A 26 0.456 -15.571 -10.549 1.00 43.41 C ATOM 332 SG CYS A 26 -0.098 -15.826 -8.833 1.00 10.43 S ATOM 0 H CYS A 26 1.311 -16.815 -12.496 1.00 23.22 H new ATOM 0 HA CYS A 26 -1.099 -16.935 -11.131 1.00 51.42 H new ATOM 0 HB2 CYS A 26 1.450 -16.003 -10.667 1.00 43.41 H new ATOM 0 HB3 CYS A 26 0.549 -14.501 -10.734 1.00 43.41 H new ATOM 337 N GLN A 27 -2.316 -14.615 -11.366 1.00 35.53 N ATOM 338 CA GLN A 27 -3.246 -13.578 -11.796 1.00 11.21 C ATOM 339 C GLN A 27 -2.496 -12.356 -12.315 1.00 4.43 C ATOM 340 O GLN A 27 -2.614 -11.991 -13.485 1.00 21.32 O ATOM 341 CB GLN A 27 -4.164 -13.175 -10.641 1.00 10.15 C ATOM 342 CG GLN A 27 -4.869 -14.351 -9.985 1.00 71.30 C ATOM 343 CD GLN A 27 -5.656 -15.186 -10.976 1.00 65.31 C ATOM 344 OE1 GLN A 27 -5.086 -15.974 -11.732 1.00 44.53 O ATOM 345 NE2 GLN A 27 -6.973 -15.019 -10.978 1.00 21.13 N ATOM 0 H GLN A 27 -2.450 -14.930 -10.405 1.00 35.53 H new ATOM 0 HA GLN A 27 -3.851 -13.982 -12.607 1.00 11.21 H new ATOM 0 HB2 GLN A 27 -3.577 -12.648 -9.888 1.00 10.15 H new ATOM 0 HB3 GLN A 27 -4.912 -12.474 -11.010 1.00 10.15 H new ATOM 0 HG2 GLN A 27 -4.131 -14.982 -9.490 1.00 71.30 H new ATOM 0 HG3 GLN A 27 -5.542 -13.981 -9.212 1.00 71.30 H new ATOM 0 HE21 GLN A 27 -7.404 -14.355 -10.334 1.00 21.13 H new ATOM 0 HE22 GLN A 27 -7.554 -15.555 -11.623 1.00 21.13 H new ATOM 354 N LYS A 28 -1.723 -11.725 -11.436 1.00 70.25 N ATOM 355 CA LYS A 28 -0.952 -10.544 -11.805 1.00 3.13 C ATOM 356 C LYS A 28 0.376 -10.505 -11.054 1.00 73.23 C ATOM 357 O LYS A 28 0.588 -11.268 -10.112 1.00 62.13 O ATOM 358 CB LYS A 28 -1.753 -9.274 -11.510 1.00 53.14 C ATOM 359 CG LYS A 28 -2.725 -8.898 -12.615 1.00 73.45 C ATOM 360 CD LYS A 28 -3.840 -8.005 -12.098 1.00 0.11 C ATOM 361 CE LYS A 28 -5.029 -8.821 -11.613 1.00 43.34 C ATOM 362 NZ LYS A 28 -5.929 -9.209 -12.734 1.00 41.24 N ATOM 0 H LYS A 28 -1.614 -12.012 -10.463 1.00 70.25 H new ATOM 0 HA LYS A 28 -0.744 -10.596 -12.874 1.00 3.13 H new ATOM 0 HB2 LYS A 28 -2.307 -9.411 -10.581 1.00 53.14 H new ATOM 0 HB3 LYS A 28 -1.061 -8.447 -11.349 1.00 53.14 H new ATOM 0 HG2 LYS A 28 -2.189 -8.386 -13.414 1.00 73.45 H new ATOM 0 HG3 LYS A 28 -3.153 -9.802 -13.047 1.00 73.45 H new ATOM 0 HD2 LYS A 28 -3.464 -7.388 -11.282 1.00 0.11 H new ATOM 0 HD3 LYS A 28 -4.161 -7.327 -12.889 1.00 0.11 H new ATOM 0 HE2 LYS A 28 -4.672 -9.718 -11.107 1.00 43.34 H new ATOM 0 HE3 LYS A 28 -5.591 -8.243 -10.879 1.00 43.34 H new ATOM 0 HZ1 LYS A 28 -6.727 -9.764 -12.363 1.00 41.24 H new ATOM 0 HZ2 LYS A 28 -6.290 -8.353 -13.201 1.00 41.24 H new ATOM 0 HZ3 LYS A 28 -5.400 -9.782 -13.422 1.00 41.24 H new ATOM 376 N GLN A 29 1.264 -9.611 -11.477 1.00 73.45 N ATOM 377 CA GLN A 29 2.570 -9.474 -10.844 1.00 12.21 C ATOM 378 C GLN A 29 3.076 -8.039 -10.945 1.00 55.43 C ATOM 379 O GLN A 29 2.916 -7.385 -11.976 1.00 61.05 O ATOM 380 CB GLN A 29 3.576 -10.428 -11.489 1.00 21.41 C ATOM 381 CG GLN A 29 4.987 -10.285 -10.942 1.00 63.21 C ATOM 382 CD GLN A 29 5.689 -11.619 -10.782 1.00 22.23 C ATOM 383 OE1 GLN A 29 5.203 -12.650 -11.249 1.00 44.43 O ATOM 384 NE2 GLN A 29 6.839 -11.607 -10.118 1.00 63.31 N ATOM 0 H GLN A 29 1.103 -8.971 -12.255 1.00 73.45 H new ATOM 0 HA GLN A 29 2.463 -9.729 -9.790 1.00 12.21 H new ATOM 0 HB2 GLN A 29 3.239 -11.454 -11.339 1.00 21.41 H new ATOM 0 HB3 GLN A 29 3.593 -10.252 -12.565 1.00 21.41 H new ATOM 0 HG2 GLN A 29 5.569 -9.650 -11.610 1.00 63.21 H new ATOM 0 HG3 GLN A 29 4.949 -9.781 -9.976 1.00 63.21 H new ATOM 0 HE21 GLN A 29 7.205 -10.730 -9.748 1.00 63.31 H new ATOM 0 HE22 GLN A 29 7.356 -12.475 -9.978 1.00 63.31 H new ATOM 393 N TYR A 30 3.685 -7.554 -9.869 1.00 70.11 N ATOM 394 CA TYR A 30 4.212 -6.195 -9.836 1.00 14.12 C ATOM 395 C TYR A 30 5.545 -6.109 -10.573 1.00 55.11 C ATOM 396 O TYR A 30 6.577 -6.553 -10.068 1.00 73.14 O ATOM 397 CB TYR A 30 4.385 -5.728 -8.390 1.00 11.14 C ATOM 398 CG TYR A 30 4.439 -4.224 -8.241 1.00 61.12 C ATOM 399 CD1 TYR A 30 3.421 -3.420 -8.740 1.00 20.34 C ATOM 400 CD2 TYR A 30 5.508 -3.607 -7.604 1.00 22.02 C ATOM 401 CE1 TYR A 30 3.466 -2.046 -8.607 1.00 43.10 C ATOM 402 CE2 TYR A 30 5.561 -2.234 -7.465 1.00 42.44 C ATOM 403 CZ TYR A 30 4.538 -1.457 -7.969 1.00 22.42 C ATOM 404 OH TYR A 30 4.588 -0.089 -7.834 1.00 51.12 O ATOM 0 H TYR A 30 3.826 -8.082 -9.008 1.00 70.11 H new ATOM 0 HA TYR A 30 3.497 -5.543 -10.339 1.00 14.12 H new ATOM 0 HB2 TYR A 30 3.560 -6.115 -7.791 1.00 11.14 H new ATOM 0 HB3 TYR A 30 5.301 -6.158 -7.986 1.00 11.14 H new ATOM 0 HD1 TYR A 30 2.580 -3.878 -9.240 1.00 20.34 H new ATOM 0 HD2 TYR A 30 6.312 -4.212 -7.211 1.00 22.02 H new ATOM 0 HE1 TYR A 30 2.666 -1.436 -9.000 1.00 43.10 H new ATOM 0 HE2 TYR A 30 6.399 -1.771 -6.965 1.00 42.44 H new ATOM 0 HH TYR A 30 5.408 0.163 -7.360 1.00 51.12 H new ATOM 414 N LEU A 31 5.515 -5.534 -11.770 1.00 52.21 N ATOM 415 CA LEU A 31 6.720 -5.387 -12.579 1.00 21.51 C ATOM 416 C LEU A 31 6.828 -3.975 -13.144 1.00 44.12 C ATOM 417 O LEU A 31 5.846 -3.412 -13.626 1.00 54.14 O ATOM 418 CB LEU A 31 6.720 -6.407 -13.719 1.00 54.24 C ATOM 419 CG LEU A 31 6.788 -7.877 -13.305 1.00 73.34 C ATOM 420 CD1 LEU A 31 5.948 -8.734 -14.240 1.00 64.41 C ATOM 421 CD2 LEU A 31 8.231 -8.360 -13.288 1.00 12.02 C ATOM 0 H LEU A 31 4.669 -5.162 -12.202 1.00 52.21 H new ATOM 0 HA LEU A 31 7.583 -5.568 -11.938 1.00 21.51 H new ATOM 0 HB2 LEU A 31 5.818 -6.259 -14.312 1.00 54.24 H new ATOM 0 HB3 LEU A 31 7.568 -6.194 -14.370 1.00 54.24 H new ATOM 0 HG LEU A 31 6.383 -7.970 -12.297 1.00 73.34 H new ATOM 0 HD11 LEU A 31 6.008 -9.777 -13.930 1.00 64.41 H new ATOM 0 HD12 LEU A 31 4.910 -8.404 -14.202 1.00 64.41 H new ATOM 0 HD13 LEU A 31 6.323 -8.636 -15.259 1.00 64.41 H new ATOM 0 HD21 LEU A 31 8.260 -9.408 -12.991 1.00 12.02 H new ATOM 0 HD22 LEU A 31 8.662 -8.252 -14.283 1.00 12.02 H new ATOM 0 HD23 LEU A 31 8.805 -7.766 -12.577 1.00 12.02 H new ATOM 433 N TRP A 32 8.028 -3.410 -13.083 1.00 45.41 N ATOM 434 CA TRP A 32 8.266 -2.063 -13.591 1.00 74.12 C ATOM 435 C TRP A 32 7.369 -1.050 -12.888 1.00 31.21 C ATOM 436 O TRP A 32 6.888 -0.099 -13.505 1.00 23.04 O ATOM 437 CB TRP A 32 8.024 -2.015 -15.101 1.00 34.53 C ATOM 438 CG TRP A 32 9.177 -2.536 -15.904 1.00 20.12 C ATOM 439 CD1 TRP A 32 9.735 -3.780 -15.826 1.00 75.41 C ATOM 440 CD2 TRP A 32 9.915 -1.826 -16.904 1.00 54.44 C ATOM 441 NE1 TRP A 32 10.774 -3.886 -16.718 1.00 64.21 N ATOM 442 CE2 TRP A 32 10.905 -2.701 -17.392 1.00 54.03 C ATOM 443 CE3 TRP A 32 9.834 -0.536 -17.437 1.00 72.32 C ATOM 444 CZ2 TRP A 32 11.806 -2.326 -18.385 1.00 54.22 C ATOM 445 CZ3 TRP A 32 10.729 -0.165 -18.422 1.00 60.44 C ATOM 446 CH2 TRP A 32 11.704 -1.058 -18.889 1.00 12.52 C ATOM 0 H TRP A 32 8.852 -3.863 -12.687 1.00 45.41 H new ATOM 0 HA TRP A 32 9.305 -1.803 -13.388 1.00 74.12 H new ATOM 0 HB2 TRP A 32 7.133 -2.597 -15.338 1.00 34.53 H new ATOM 0 HB3 TRP A 32 7.820 -0.986 -15.397 1.00 34.53 H new ATOM 0 HD1 TRP A 32 9.407 -4.565 -15.161 1.00 75.41 H new ATOM 0 HE1 TRP A 32 11.354 -4.713 -16.856 1.00 64.21 H new ATOM 0 HE3 TRP A 32 9.085 0.158 -17.085 1.00 72.32 H new ATOM 0 HZ2 TRP A 32 12.559 -3.012 -18.745 1.00 54.22 H new ATOM 0 HZ3 TRP A 32 10.677 0.830 -18.839 1.00 60.44 H new ATOM 0 HH2 TRP A 32 12.388 -0.739 -19.662 1.00 12.52 H new ATOM 457 N TYR A 33 7.148 -1.260 -11.595 1.00 55.11 N ATOM 458 CA TYR A 33 6.306 -0.366 -10.809 1.00 1.42 C ATOM 459 C TYR A 33 4.870 -0.377 -11.323 1.00 52.41 C ATOM 460 O TYR A 33 4.167 0.632 -11.259 1.00 54.03 O ATOM 461 CB TYR A 33 6.863 1.059 -10.848 1.00 72.44 C ATOM 462 CG TYR A 33 8.344 1.138 -10.556 1.00 42.01 C ATOM 463 CD1 TYR A 33 8.868 0.624 -9.377 1.00 23.23 C ATOM 464 CD2 TYR A 33 9.220 1.727 -11.460 1.00 71.43 C ATOM 465 CE1 TYR A 33 10.221 0.695 -9.105 1.00 51.03 C ATOM 466 CE2 TYR A 33 10.574 1.801 -11.198 1.00 22.10 C ATOM 467 CZ TYR A 33 11.070 1.284 -10.019 1.00 52.21 C ATOM 468 OH TYR A 33 12.418 1.356 -9.753 1.00 60.21 O ATOM 0 H TYR A 33 7.540 -2.041 -11.069 1.00 55.11 H new ATOM 0 HA TYR A 33 6.306 -0.721 -9.778 1.00 1.42 H new ATOM 0 HB2 TYR A 33 6.672 1.488 -11.832 1.00 72.44 H new ATOM 0 HB3 TYR A 33 6.325 1.670 -10.123 1.00 72.44 H new ATOM 0 HD1 TYR A 33 8.206 0.161 -8.660 1.00 23.23 H new ATOM 0 HD2 TYR A 33 8.835 2.134 -12.383 1.00 71.43 H new ATOM 0 HE1 TYR A 33 10.611 0.292 -8.182 1.00 51.03 H new ATOM 0 HE2 TYR A 33 11.241 2.261 -11.912 1.00 22.10 H new ATOM 0 HH TYR A 33 12.875 1.799 -10.498 1.00 60.21 H new ATOM 478 N LYS A 34 4.440 -1.526 -11.833 1.00 12.22 N ATOM 479 CA LYS A 34 3.087 -1.672 -12.357 1.00 61.41 C ATOM 480 C LYS A 34 2.675 -3.140 -12.396 1.00 71.43 C ATOM 481 O LYS A 34 3.463 -4.006 -12.778 1.00 11.24 O ATOM 482 CB LYS A 34 2.993 -1.068 -13.760 1.00 4.32 C ATOM 483 CG LYS A 34 2.614 0.403 -13.764 1.00 1.10 C ATOM 484 CD LYS A 34 2.134 0.851 -15.134 1.00 53.21 C ATOM 485 CE LYS A 34 3.279 1.390 -15.977 1.00 51.54 C ATOM 486 NZ LYS A 34 2.900 1.517 -17.412 1.00 14.52 N ATOM 0 H LYS A 34 5.009 -2.370 -11.895 1.00 12.22 H new ATOM 0 HA LYS A 34 2.407 -1.139 -11.692 1.00 61.41 H new ATOM 0 HB2 LYS A 34 3.952 -1.189 -14.264 1.00 4.32 H new ATOM 0 HB3 LYS A 34 2.257 -1.626 -14.338 1.00 4.32 H new ATOM 0 HG2 LYS A 34 1.831 0.580 -13.027 1.00 1.10 H new ATOM 0 HG3 LYS A 34 3.474 1.002 -13.465 1.00 1.10 H new ATOM 0 HD2 LYS A 34 1.665 0.012 -15.649 1.00 53.21 H new ATOM 0 HD3 LYS A 34 1.371 1.621 -15.020 1.00 53.21 H new ATOM 0 HE2 LYS A 34 3.584 2.364 -15.595 1.00 51.54 H new ATOM 0 HE3 LYS A 34 4.140 0.728 -15.886 1.00 51.54 H new ATOM 0 HZ1 LYS A 34 3.731 1.806 -17.966 1.00 14.52 H new ATOM 0 HZ2 LYS A 34 2.552 0.601 -17.762 1.00 14.52 H new ATOM 0 HZ3 LYS A 34 2.152 2.232 -17.511 1.00 14.52 H new ATOM 500 N TRP A 35 1.437 -3.413 -12.001 1.00 54.14 N ATOM 501 CA TRP A 35 0.920 -4.777 -11.993 1.00 51.21 C ATOM 502 C TRP A 35 0.603 -5.247 -13.408 1.00 74.33 C ATOM 503 O TRP A 35 -0.377 -4.811 -14.012 1.00 54.11 O ATOM 504 CB TRP A 35 -0.333 -4.864 -11.120 1.00 72.14 C ATOM 505 CG TRP A 35 -0.066 -4.603 -9.669 1.00 43.41 C ATOM 506 CD1 TRP A 35 -0.265 -3.430 -8.997 1.00 61.42 C ATOM 507 CD2 TRP A 35 0.452 -5.533 -8.712 1.00 32.11 C ATOM 508 NE1 TRP A 35 0.098 -3.576 -7.680 1.00 33.21 N ATOM 509 CE2 TRP A 35 0.540 -4.857 -7.479 1.00 52.02 C ATOM 510 CE3 TRP A 35 0.847 -6.872 -8.775 1.00 45.24 C ATOM 511 CZ2 TRP A 35 1.008 -5.476 -6.323 1.00 42.41 C ATOM 512 CZ3 TRP A 35 1.312 -7.484 -7.627 1.00 64.22 C ATOM 513 CH2 TRP A 35 1.389 -6.787 -6.414 1.00 51.22 C ATOM 0 H TRP A 35 0.772 -2.708 -11.682 1.00 54.14 H new ATOM 0 HA TRP A 35 1.689 -5.428 -11.578 1.00 51.21 H new ATOM 0 HB2 TRP A 35 -1.069 -4.146 -11.481 1.00 72.14 H new ATOM 0 HB3 TRP A 35 -0.774 -5.855 -11.228 1.00 72.14 H new ATOM 0 HD1 TRP A 35 -0.651 -2.522 -9.436 1.00 61.42 H new ATOM 0 HE1 TRP A 35 0.047 -2.848 -6.967 1.00 33.21 H new ATOM 0 HE3 TRP A 35 0.790 -7.419 -9.705 1.00 45.24 H new ATOM 0 HZ2 TRP A 35 1.068 -4.940 -5.387 1.00 42.41 H new ATOM 0 HZ3 TRP A 35 1.622 -8.518 -7.665 1.00 64.22 H new ATOM 0 HH2 TRP A 35 1.756 -7.294 -5.534 1.00 51.22 H new ATOM 524 N ARG A 36 1.437 -6.140 -13.932 1.00 0.43 N ATOM 525 CA ARG A 36 1.245 -6.668 -15.277 1.00 30.13 C ATOM 526 C ARG A 36 0.970 -8.168 -15.237 1.00 72.52 C ATOM 527 O ARG A 36 1.372 -8.874 -14.312 1.00 62.10 O ATOM 528 CB ARG A 36 2.477 -6.387 -16.139 1.00 22.32 C ATOM 529 CG ARG A 36 3.056 -4.996 -15.939 1.00 24.44 C ATOM 530 CD ARG A 36 4.282 -4.773 -16.811 1.00 11.54 C ATOM 531 NE ARG A 36 4.717 -3.379 -16.796 1.00 1.55 N ATOM 532 CZ ARG A 36 4.162 -2.427 -17.539 1.00 25.43 C ATOM 533 NH1 ARG A 36 3.156 -2.719 -18.351 1.00 40.32 N ATOM 534 NH2 ARG A 36 4.614 -1.182 -17.470 1.00 2.34 N ATOM 0 H ARG A 36 2.252 -6.513 -13.445 1.00 0.43 H new ATOM 0 HA ARG A 36 0.381 -6.169 -15.717 1.00 30.13 H new ATOM 0 HB2 ARG A 36 3.245 -7.127 -15.913 1.00 22.32 H new ATOM 0 HB3 ARG A 36 2.212 -6.514 -17.189 1.00 22.32 H new ATOM 0 HG2 ARG A 36 2.299 -4.248 -16.175 1.00 24.44 H new ATOM 0 HG3 ARG A 36 3.323 -4.859 -14.891 1.00 24.44 H new ATOM 0 HD2 ARG A 36 5.095 -5.410 -16.463 1.00 11.54 H new ATOM 0 HD3 ARG A 36 4.058 -5.072 -17.835 1.00 11.54 H new ATOM 0 HE ARG A 36 5.489 -3.122 -16.181 1.00 1.55 H new ATOM 0 HH11 ARG A 36 2.806 -3.676 -18.406 1.00 40.32 H new ATOM 0 HH12 ARG A 36 2.731 -1.987 -18.920 1.00 40.32 H new ATOM 0 HH21 ARG A 36 5.388 -0.954 -16.846 1.00 2.34 H new ATOM 0 HH22 ARG A 36 4.187 -0.452 -18.041 1.00 2.34 H new ATOM 548 N PRO A 37 0.267 -8.669 -16.264 1.00 41.23 N ATOM 549 CA PRO A 37 -0.078 -10.090 -16.370 1.00 44.42 C ATOM 550 C PRO A 37 1.141 -10.962 -16.651 1.00 72.43 C ATOM 551 O PRO A 37 2.246 -10.457 -16.854 1.00 32.14 O ATOM 552 CB PRO A 37 -1.050 -10.132 -17.552 1.00 4.21 C ATOM 553 CG PRO A 37 -0.699 -8.940 -18.374 1.00 1.44 C ATOM 554 CD PRO A 37 -0.245 -7.886 -17.402 1.00 4.13 C ATOM 0 HA PRO A 37 -0.498 -10.478 -15.442 1.00 44.42 H new ATOM 0 HB2 PRO A 37 -0.939 -11.054 -18.123 1.00 4.21 H new ATOM 0 HB3 PRO A 37 -2.086 -10.089 -17.215 1.00 4.21 H new ATOM 0 HG2 PRO A 37 0.089 -9.177 -19.089 1.00 1.44 H new ATOM 0 HG3 PRO A 37 -1.558 -8.596 -18.950 1.00 1.44 H new ATOM 0 HD2 PRO A 37 0.528 -7.249 -17.832 1.00 4.13 H new ATOM 0 HD3 PRO A 37 -1.066 -7.234 -17.104 1.00 4.13 H new ATOM 562 N LEU A 38 0.933 -12.274 -16.663 1.00 72.30 N ATOM 563 CA LEU A 38 2.015 -13.218 -16.920 1.00 70.23 C ATOM 564 C LEU A 38 1.578 -14.290 -17.913 1.00 73.51 C ATOM 565 O LEU A 38 0.384 -14.520 -18.109 1.00 40.50 O ATOM 566 CB LEU A 38 2.470 -13.871 -15.614 1.00 72.51 C ATOM 567 CG LEU A 38 3.107 -12.939 -14.584 1.00 4.23 C ATOM 568 CD1 LEU A 38 3.414 -13.693 -13.299 1.00 1.30 C ATOM 569 CD2 LEU A 38 4.371 -12.306 -15.147 1.00 42.34 C ATOM 0 H LEU A 38 0.025 -12.708 -16.498 1.00 72.30 H new ATOM 0 HA LEU A 38 2.850 -12.667 -17.353 1.00 70.23 H new ATOM 0 HB2 LEU A 38 1.608 -14.354 -15.153 1.00 72.51 H new ATOM 0 HB3 LEU A 38 3.186 -14.657 -15.854 1.00 72.51 H new ATOM 0 HG LEU A 38 2.397 -12.144 -14.354 1.00 4.23 H new ATOM 0 HD11 LEU A 38 3.867 -13.013 -12.578 1.00 1.30 H new ATOM 0 HD12 LEU A 38 2.490 -14.098 -12.885 1.00 1.30 H new ATOM 0 HD13 LEU A 38 4.105 -14.509 -13.512 1.00 1.30 H new ATOM 0 HD21 LEU A 38 4.811 -11.646 -14.400 1.00 42.34 H new ATOM 0 HD22 LEU A 38 5.085 -13.088 -15.406 1.00 42.34 H new ATOM 0 HD23 LEU A 38 4.124 -11.731 -16.039 1.00 42.34 H new ATOM 581 N ASP A 39 2.552 -14.946 -18.535 1.00 54.32 N ATOM 582 CA ASP A 39 2.268 -15.997 -19.505 1.00 54.24 C ATOM 583 C ASP A 39 3.508 -16.845 -19.766 1.00 44.04 C ATOM 584 O ASP A 39 4.558 -16.327 -20.149 1.00 61.43 O ATOM 585 CB ASP A 39 1.765 -15.389 -20.816 1.00 5.42 C ATOM 586 CG ASP A 39 1.569 -16.430 -21.900 1.00 32.24 C ATOM 587 OD1 ASP A 39 0.949 -17.476 -21.612 1.00 64.25 O ATOM 588 OD2 ASP A 39 2.033 -16.199 -23.035 1.00 65.23 O ATOM 0 H ASP A 39 3.545 -14.768 -18.385 1.00 54.32 H new ATOM 0 HA ASP A 39 1.491 -16.640 -19.090 1.00 54.24 H new ATOM 0 HB2 ASP A 39 0.821 -14.874 -20.636 1.00 5.42 H new ATOM 0 HB3 ASP A 39 2.476 -14.639 -21.161 1.00 5.42 H new ATOM 593 N CYS A 40 3.381 -18.151 -19.556 1.00 3.21 N ATOM 594 CA CYS A 40 4.492 -19.072 -19.767 1.00 13.45 C ATOM 595 C CYS A 40 4.952 -19.044 -21.221 1.00 65.41 C ATOM 596 O CYS A 40 4.260 -19.538 -22.112 1.00 2.25 O ATOM 597 CB CYS A 40 4.084 -20.493 -19.376 1.00 33.52 C ATOM 598 SG CYS A 40 4.419 -20.911 -17.635 1.00 32.24 S ATOM 0 H CYS A 40 2.519 -18.596 -19.240 1.00 3.21 H new ATOM 0 HA CYS A 40 5.322 -18.753 -19.136 1.00 13.45 H new ATOM 0 HB2 CYS A 40 3.019 -20.620 -19.570 1.00 33.52 H new ATOM 0 HB3 CYS A 40 4.612 -21.200 -20.016 1.00 33.52 H new ATOM 603 N ARG A 41 6.126 -18.465 -21.454 1.00 14.25 N ATOM 604 CA ARG A 41 6.679 -18.372 -22.799 1.00 73.23 C ATOM 605 C ARG A 41 7.981 -19.160 -22.907 1.00 73.54 C ATOM 606 O ARG A 41 8.773 -19.203 -21.966 1.00 44.31 O ATOM 607 CB ARG A 41 6.923 -16.909 -23.174 1.00 21.23 C ATOM 608 CG ARG A 41 5.699 -16.215 -23.749 1.00 24.11 C ATOM 609 CD ARG A 41 5.578 -16.450 -25.246 1.00 61.14 C ATOM 610 NE ARG A 41 6.258 -15.415 -26.020 1.00 1.52 N ATOM 611 CZ ARG A 41 6.172 -15.308 -27.341 1.00 60.41 C ATOM 612 NH1 ARG A 41 5.438 -16.170 -28.032 1.00 45.23 N ATOM 613 NH2 ARG A 41 6.820 -14.339 -27.974 1.00 2.44 N ATOM 0 H ARG A 41 6.712 -18.053 -20.728 1.00 14.25 H new ATOM 0 HA ARG A 41 5.956 -18.801 -23.492 1.00 73.23 H new ATOM 0 HB2 ARG A 41 7.255 -16.367 -22.289 1.00 21.23 H new ATOM 0 HB3 ARG A 41 7.733 -16.860 -23.901 1.00 21.23 H new ATOM 0 HG2 ARG A 41 4.803 -16.581 -23.248 1.00 24.11 H new ATOM 0 HG3 ARG A 41 5.760 -15.145 -23.551 1.00 24.11 H new ATOM 0 HD2 ARG A 41 5.999 -17.424 -25.495 1.00 61.14 H new ATOM 0 HD3 ARG A 41 4.525 -16.477 -25.525 1.00 61.14 H new ATOM 0 HE ARG A 41 6.831 -14.737 -25.518 1.00 1.52 H new ATOM 0 HH11 ARG A 41 4.938 -16.917 -27.549 1.00 45.23 H new ATOM 0 HH12 ARG A 41 5.373 -16.086 -29.046 1.00 45.23 H new ATOM 0 HH21 ARG A 41 7.386 -13.674 -27.446 1.00 2.44 H new ATOM 0 HH22 ARG A 41 6.753 -14.259 -28.989 1.00 2.44 H new ATOM 627 N CYS A 42 8.195 -19.784 -24.061 1.00 74.21 N ATOM 628 CA CYS A 42 9.399 -20.572 -24.293 1.00 61.11 C ATOM 629 C CYS A 42 10.394 -19.803 -25.158 1.00 73.31 C ATOM 630 O CYS A 42 10.217 -19.685 -26.371 1.00 53.04 O ATOM 631 CB CYS A 42 9.043 -21.900 -24.964 1.00 24.53 C ATOM 632 SG CYS A 42 7.742 -22.842 -24.105 1.00 13.12 S ATOM 0 H CYS A 42 7.549 -19.759 -24.850 1.00 74.21 H new ATOM 0 HA CYS A 42 9.863 -20.773 -23.328 1.00 61.11 H new ATOM 0 HB2 CYS A 42 8.719 -21.703 -25.986 1.00 24.53 H new ATOM 0 HB3 CYS A 42 9.941 -22.515 -25.027 1.00 24.53 H new ATOM 637 N LEU A 43 11.440 -19.283 -24.526 1.00 52.22 N ATOM 638 CA LEU A 43 12.464 -18.525 -25.237 1.00 60.31 C ATOM 639 C LEU A 43 13.845 -18.790 -24.646 1.00 42.34 C ATOM 640 O LEU A 43 13.982 -19.050 -23.451 1.00 32.32 O ATOM 641 CB LEU A 43 12.151 -17.029 -25.181 1.00 73.13 C ATOM 642 CG LEU A 43 11.848 -16.458 -23.795 1.00 62.05 C ATOM 643 CD1 LEU A 43 13.127 -15.983 -23.123 1.00 70.21 C ATOM 644 CD2 LEU A 43 10.842 -15.321 -23.895 1.00 50.23 C ATOM 0 H LEU A 43 11.602 -19.372 -23.523 1.00 52.22 H new ATOM 0 HA LEU A 43 12.465 -18.850 -26.277 1.00 60.31 H new ATOM 0 HB2 LEU A 43 12.998 -16.485 -25.599 1.00 73.13 H new ATOM 0 HB3 LEU A 43 11.296 -16.833 -25.828 1.00 73.13 H new ATOM 0 HG LEU A 43 11.413 -17.249 -23.184 1.00 62.05 H new ATOM 0 HD11 LEU A 43 12.892 -15.580 -22.138 1.00 70.21 H new ATOM 0 HD12 LEU A 43 13.816 -16.821 -23.017 1.00 70.21 H new ATOM 0 HD13 LEU A 43 13.591 -15.207 -23.732 1.00 70.21 H new ATOM 0 HD21 LEU A 43 10.638 -14.927 -22.899 1.00 50.23 H new ATOM 0 HD22 LEU A 43 11.250 -14.529 -24.523 1.00 50.23 H new ATOM 0 HD23 LEU A 43 9.916 -15.692 -24.335 1.00 50.23 H new ATOM 656 N LYS A 44 14.868 -18.719 -25.492 1.00 10.34 N ATOM 657 CA LYS A 44 16.240 -18.946 -25.054 1.00 21.50 C ATOM 658 C LYS A 44 17.168 -17.857 -25.582 1.00 73.04 C ATOM 659 O LYS A 44 17.028 -17.408 -26.720 1.00 1.41 O ATOM 660 CB LYS A 44 16.727 -20.319 -25.526 1.00 55.51 C ATOM 661 CG LYS A 44 16.672 -20.498 -27.033 1.00 54.24 C ATOM 662 CD LYS A 44 17.996 -20.139 -27.686 1.00 60.22 C ATOM 663 CE LYS A 44 17.795 -19.597 -29.093 1.00 2.20 C ATOM 664 NZ LYS A 44 18.889 -18.668 -29.491 1.00 22.12 N ATOM 0 H LYS A 44 14.772 -18.506 -26.485 1.00 10.34 H new ATOM 0 HA LYS A 44 16.257 -18.915 -23.965 1.00 21.50 H new ATOM 0 HB2 LYS A 44 17.753 -20.467 -25.188 1.00 55.51 H new ATOM 0 HB3 LYS A 44 16.121 -21.092 -25.054 1.00 55.51 H new ATOM 0 HG2 LYS A 44 16.418 -21.531 -27.268 1.00 54.24 H new ATOM 0 HG3 LYS A 44 15.880 -19.873 -27.446 1.00 54.24 H new ATOM 0 HD2 LYS A 44 18.512 -19.395 -27.079 1.00 60.22 H new ATOM 0 HD3 LYS A 44 18.636 -21.021 -27.723 1.00 60.22 H new ATOM 0 HE2 LYS A 44 17.748 -20.427 -29.799 1.00 2.20 H new ATOM 0 HE3 LYS A 44 16.839 -19.077 -29.149 1.00 2.20 H new ATOM 0 HZ1 LYS A 44 18.715 -18.320 -30.456 1.00 22.12 H new ATOM 0 HZ2 LYS A 44 18.918 -17.863 -28.833 1.00 22.12 H new ATOM 0 HZ3 LYS A 44 19.799 -19.171 -29.463 1.00 22.12 H new ATOM 678 N SER A 45 18.115 -17.438 -24.750 1.00 2.31 N ATOM 679 CA SER A 45 19.065 -16.399 -25.133 1.00 35.31 C ATOM 680 C SER A 45 20.491 -16.941 -25.134 1.00 11.33 C ATOM 681 O SER A 45 21.217 -16.811 -24.149 1.00 13.01 O ATOM 682 CB SER A 45 18.960 -15.207 -24.180 1.00 41.32 C ATOM 683 OG SER A 45 18.826 -15.637 -22.837 1.00 21.42 O ATOM 0 H SER A 45 18.246 -17.802 -23.806 1.00 2.31 H new ATOM 0 HA SER A 45 18.820 -16.070 -26.143 1.00 35.31 H new ATOM 0 HB2 SER A 45 19.847 -14.580 -24.278 1.00 41.32 H new ATOM 0 HB3 SER A 45 18.103 -14.592 -24.455 1.00 41.32 H new ATOM 0 HG SER A 45 19.570 -16.233 -22.608 1.00 21.42 H new ATOM 689 N GLY A 46 20.886 -17.549 -26.248 1.00 51.12 N ATOM 690 CA GLY A 46 22.223 -18.102 -26.358 1.00 3.43 C ATOM 691 C GLY A 46 22.462 -19.238 -25.384 1.00 25.14 C ATOM 692 O GLY A 46 23.606 -19.545 -25.045 1.00 72.45 O ATOM 0 H GLY A 46 20.304 -17.669 -27.077 1.00 51.12 H new ATOM 0 HA2 GLY A 46 22.382 -18.460 -27.375 1.00 3.43 H new ATOM 0 HA3 GLY A 46 22.955 -17.314 -26.179 1.00 3.43 H new ATOM 696 N PHE A 47 21.381 -19.863 -24.929 1.00 64.44 N ATOM 697 CA PHE A 47 21.479 -20.971 -23.986 1.00 12.24 C ATOM 698 C PHE A 47 21.527 -22.308 -24.719 1.00 42.13 C ATOM 699 O PHE A 47 21.350 -22.368 -25.936 1.00 42.12 O ATOM 700 CB PHE A 47 20.294 -20.950 -23.018 1.00 53.21 C ATOM 701 CG PHE A 47 20.500 -20.044 -21.838 1.00 34.34 C ATOM 702 CD1 PHE A 47 21.621 -20.176 -21.034 1.00 50.53 C ATOM 703 CD2 PHE A 47 19.572 -19.061 -21.531 1.00 62.54 C ATOM 704 CE1 PHE A 47 21.812 -19.344 -19.947 1.00 63.01 C ATOM 705 CE2 PHE A 47 19.758 -18.227 -20.446 1.00 4.34 C ATOM 706 CZ PHE A 47 20.881 -18.368 -19.653 1.00 54.31 C ATOM 0 H PHE A 47 20.427 -19.621 -25.198 1.00 64.44 H new ATOM 0 HA PHE A 47 22.404 -20.854 -23.421 1.00 12.24 H new ATOM 0 HB2 PHE A 47 19.401 -20.634 -23.557 1.00 53.21 H new ATOM 0 HB3 PHE A 47 20.109 -21.963 -22.660 1.00 53.21 H new ATOM 0 HD1 PHE A 47 22.353 -20.937 -21.259 1.00 50.53 H new ATOM 0 HD2 PHE A 47 18.693 -18.946 -22.148 1.00 62.54 H new ATOM 0 HE1 PHE A 47 22.689 -19.457 -19.328 1.00 63.01 H new ATOM 0 HE2 PHE A 47 19.027 -17.466 -20.218 1.00 4.34 H new ATOM 0 HZ PHE A 47 21.030 -17.716 -18.805 1.00 54.31 H new ATOM 716 N PHE A 48 21.769 -23.379 -23.970 1.00 50.41 N ATOM 717 CA PHE A 48 21.843 -24.715 -24.548 1.00 74.32 C ATOM 718 C PHE A 48 20.464 -25.369 -24.585 1.00 40.52 C ATOM 719 O PHE A 48 19.983 -25.769 -25.645 1.00 64.22 O ATOM 720 CB PHE A 48 22.811 -25.588 -23.747 1.00 44.32 C ATOM 721 CG PHE A 48 24.222 -25.071 -23.745 1.00 14.33 C ATOM 722 CD1 PHE A 48 24.601 -24.060 -22.877 1.00 3.23 C ATOM 723 CD2 PHE A 48 25.167 -25.595 -24.611 1.00 23.31 C ATOM 724 CE1 PHE A 48 25.898 -23.582 -22.872 1.00 3.15 C ATOM 725 CE2 PHE A 48 26.466 -25.122 -24.610 1.00 12.21 C ATOM 726 CZ PHE A 48 26.831 -24.113 -23.740 1.00 64.11 C ATOM 0 H PHE A 48 21.917 -23.347 -22.961 1.00 50.41 H new ATOM 0 HA PHE A 48 22.210 -24.621 -25.570 1.00 74.32 H new ATOM 0 HB2 PHE A 48 22.457 -25.660 -22.719 1.00 44.32 H new ATOM 0 HB3 PHE A 48 22.803 -26.597 -24.158 1.00 44.32 H new ATOM 0 HD1 PHE A 48 23.875 -23.641 -22.196 1.00 3.23 H new ATOM 0 HD2 PHE A 48 24.886 -26.382 -25.295 1.00 23.31 H new ATOM 0 HE1 PHE A 48 26.181 -22.794 -22.190 1.00 3.15 H new ATOM 0 HE2 PHE A 48 27.194 -25.541 -25.288 1.00 12.21 H new ATOM 0 HZ PHE A 48 27.845 -23.740 -23.739 1.00 64.11 H new ATOM 736 N SER A 49 19.834 -25.473 -23.420 1.00 13.34 N ATOM 737 CA SER A 49 18.512 -26.081 -23.317 1.00 25.22 C ATOM 738 C SER A 49 17.458 -25.035 -22.970 1.00 52.54 C ATOM 739 O SER A 49 17.367 -24.583 -21.829 1.00 32.11 O ATOM 740 CB SER A 49 18.518 -27.186 -22.259 1.00 35.13 C ATOM 741 OG SER A 49 17.266 -27.850 -22.208 1.00 44.33 O ATOM 0 H SER A 49 20.217 -25.144 -22.534 1.00 13.34 H new ATOM 0 HA SER A 49 18.262 -26.515 -24.285 1.00 25.22 H new ATOM 0 HB2 SER A 49 19.306 -27.905 -22.484 1.00 35.13 H new ATOM 0 HB3 SER A 49 18.746 -26.758 -21.283 1.00 35.13 H new ATOM 0 HG SER A 49 17.296 -28.553 -21.525 1.00 44.33 H new ATOM 747 N SER A 50 16.663 -24.653 -23.965 1.00 73.10 N ATOM 748 CA SER A 50 15.616 -23.657 -23.768 1.00 43.20 C ATOM 749 C SER A 50 14.620 -24.117 -22.708 1.00 63.41 C ATOM 750 O SER A 50 14.267 -25.295 -22.641 1.00 2.05 O ATOM 751 CB SER A 50 14.887 -23.385 -25.085 1.00 43.22 C ATOM 752 OG SER A 50 15.761 -23.531 -26.191 1.00 41.53 O ATOM 0 H SER A 50 16.724 -25.018 -24.915 1.00 73.10 H new ATOM 0 HA SER A 50 16.086 -22.736 -23.424 1.00 43.20 H new ATOM 0 HB2 SER A 50 14.047 -24.072 -25.188 1.00 43.22 H new ATOM 0 HB3 SER A 50 14.474 -22.376 -25.074 1.00 43.22 H new ATOM 0 HG SER A 50 15.271 -23.354 -27.021 1.00 41.53 H new ATOM 758 N LYS A 51 14.170 -23.180 -21.881 1.00 44.10 N ATOM 759 CA LYS A 51 13.214 -23.486 -20.824 1.00 31.30 C ATOM 760 C LYS A 51 12.019 -22.541 -20.881 1.00 14.51 C ATOM 761 O LYS A 51 12.167 -21.352 -21.166 1.00 5.23 O ATOM 762 CB LYS A 51 13.889 -23.391 -19.454 1.00 12.52 C ATOM 763 CG LYS A 51 13.050 -23.958 -18.322 1.00 22.03 C ATOM 764 CD LYS A 51 13.908 -24.325 -17.122 1.00 52.22 C ATOM 765 CE LYS A 51 14.286 -23.095 -16.311 1.00 30.34 C ATOM 766 NZ LYS A 51 13.259 -22.772 -15.282 1.00 31.21 N ATOM 0 H LYS A 51 14.453 -22.201 -21.923 1.00 44.10 H new ATOM 0 HA LYS A 51 12.856 -24.504 -20.976 1.00 31.30 H new ATOM 0 HB2 LYS A 51 14.841 -23.921 -19.490 1.00 12.52 H new ATOM 0 HB3 LYS A 51 14.113 -22.346 -19.241 1.00 12.52 H new ATOM 0 HG2 LYS A 51 12.299 -23.227 -18.023 1.00 22.03 H new ATOM 0 HG3 LYS A 51 12.515 -24.841 -18.671 1.00 22.03 H new ATOM 0 HD2 LYS A 51 13.368 -25.028 -16.488 1.00 52.22 H new ATOM 0 HD3 LYS A 51 14.812 -24.831 -17.461 1.00 52.22 H new ATOM 0 HE2 LYS A 51 15.247 -23.262 -15.825 1.00 30.34 H new ATOM 0 HE3 LYS A 51 14.411 -22.243 -16.980 1.00 30.34 H new ATOM 0 HZ1 LYS A 51 13.553 -21.928 -14.751 1.00 31.21 H new ATOM 0 HZ2 LYS A 51 12.347 -22.588 -15.747 1.00 31.21 H new ATOM 0 HZ3 LYS A 51 13.158 -23.575 -14.628 1.00 31.21 H new ATOM 780 N CYS A 52 10.833 -23.075 -20.607 1.00 23.12 N ATOM 781 CA CYS A 52 9.612 -22.279 -20.626 1.00 21.15 C ATOM 782 C CYS A 52 9.258 -21.792 -19.223 1.00 64.51 C ATOM 783 O CYS A 52 9.136 -22.587 -18.291 1.00 34.21 O ATOM 784 CB CYS A 52 8.454 -23.097 -21.201 1.00 21.15 C ATOM 785 SG CYS A 52 8.819 -23.876 -22.806 1.00 42.25 S ATOM 0 H CYS A 52 10.692 -24.057 -20.369 1.00 23.12 H new ATOM 0 HA CYS A 52 9.784 -21.410 -21.261 1.00 21.15 H new ATOM 0 HB2 CYS A 52 8.182 -23.873 -20.486 1.00 21.15 H new ATOM 0 HB3 CYS A 52 7.585 -22.448 -21.313 1.00 21.15 H new ATOM 790 N VAL A 53 9.096 -20.481 -19.081 1.00 53.24 N ATOM 791 CA VAL A 53 8.755 -19.887 -17.794 1.00 32.51 C ATOM 792 C VAL A 53 7.783 -18.725 -17.964 1.00 60.35 C ATOM 793 O VAL A 53 7.565 -18.241 -19.076 1.00 25.43 O ATOM 794 CB VAL A 53 10.011 -19.388 -17.056 1.00 41.20 C ATOM 795 CG1 VAL A 53 10.996 -20.528 -16.845 1.00 15.11 C ATOM 796 CG2 VAL A 53 10.661 -18.247 -17.824 1.00 10.30 C ATOM 0 H VAL A 53 9.195 -19.809 -19.842 1.00 53.24 H new ATOM 0 HA VAL A 53 8.281 -20.669 -17.201 1.00 32.51 H new ATOM 0 HB VAL A 53 9.711 -19.014 -16.077 1.00 41.20 H new ATOM 0 HG11 VAL A 53 11.877 -20.156 -16.322 1.00 15.11 H new ATOM 0 HG12 VAL A 53 10.525 -21.311 -16.250 1.00 15.11 H new ATOM 0 HG13 VAL A 53 11.293 -20.936 -17.811 1.00 15.11 H new ATOM 0 HG21 VAL A 53 11.547 -17.906 -17.289 1.00 10.30 H new ATOM 0 HG22 VAL A 53 10.948 -18.594 -18.817 1.00 10.30 H new ATOM 0 HG23 VAL A 53 9.954 -17.422 -17.918 1.00 10.30 H new ATOM 806 N CYS A 54 7.201 -18.281 -16.856 1.00 13.31 N ATOM 807 CA CYS A 54 6.251 -17.175 -16.881 1.00 3.40 C ATOM 808 C CYS A 54 6.918 -15.897 -17.382 1.00 2.42 C ATOM 809 O CYS A 54 8.019 -15.550 -16.954 1.00 1.14 O ATOM 810 CB CYS A 54 5.667 -16.945 -15.486 1.00 11.12 C ATOM 811 SG CYS A 54 4.378 -18.143 -15.013 1.00 43.41 S ATOM 0 H CYS A 54 7.370 -18.670 -15.928 1.00 13.31 H new ATOM 0 HA CYS A 54 5.445 -17.437 -17.566 1.00 3.40 H new ATOM 0 HB2 CYS A 54 6.474 -16.988 -14.754 1.00 11.12 H new ATOM 0 HB3 CYS A 54 5.248 -15.940 -15.440 1.00 11.12 H new ATOM 816 N ARG A 55 6.243 -15.201 -18.291 1.00 1.32 N ATOM 817 CA ARG A 55 6.770 -13.962 -18.851 1.00 20.12 C ATOM 818 C ARG A 55 5.687 -12.889 -18.911 1.00 41.22 C ATOM 819 O ARG A 55 4.536 -13.172 -19.242 1.00 73.54 O ATOM 820 CB ARG A 55 7.336 -14.210 -20.250 1.00 72.23 C ATOM 821 CG ARG A 55 8.626 -15.013 -20.252 1.00 62.30 C ATOM 822 CD ARG A 55 9.777 -14.221 -19.651 1.00 55.44 C ATOM 823 NE ARG A 55 10.638 -13.641 -20.679 1.00 34.50 N ATOM 824 CZ ARG A 55 11.888 -13.253 -20.456 1.00 41.54 C ATOM 825 NH1 ARG A 55 12.421 -13.381 -19.249 1.00 53.40 N ATOM 826 NH2 ARG A 55 12.609 -12.735 -21.443 1.00 13.30 N ATOM 0 H ARG A 55 5.330 -15.474 -18.655 1.00 1.32 H new ATOM 0 HA ARG A 55 7.570 -13.610 -18.200 1.00 20.12 H new ATOM 0 HB2 ARG A 55 6.590 -14.735 -20.846 1.00 72.23 H new ATOM 0 HB3 ARG A 55 7.514 -13.251 -20.736 1.00 72.23 H new ATOM 0 HG2 ARG A 55 8.483 -15.934 -19.687 1.00 62.30 H new ATOM 0 HG3 ARG A 55 8.875 -15.301 -21.273 1.00 62.30 H new ATOM 0 HD2 ARG A 55 9.380 -13.426 -19.020 1.00 55.44 H new ATOM 0 HD3 ARG A 55 10.369 -14.873 -19.008 1.00 55.44 H new ATOM 0 HE ARG A 55 10.258 -13.528 -21.619 1.00 34.50 H new ATOM 0 HH11 ARG A 55 11.870 -13.779 -18.488 1.00 53.40 H new ATOM 0 HH12 ARG A 55 13.382 -13.082 -19.081 1.00 53.40 H new ATOM 0 HH21 ARG A 55 12.203 -12.635 -22.373 1.00 13.30 H new ATOM 0 HH22 ARG A 55 13.569 -12.437 -21.271 1.00 13.30 H new ATOM 840 N ASP A 56 6.064 -11.657 -18.589 1.00 2.52 N ATOM 841 CA ASP A 56 5.126 -10.540 -18.607 1.00 32.41 C ATOM 842 C ASP A 56 4.680 -10.229 -20.032 1.00 54.30 C ATOM 843 O ASP A 56 5.505 -10.079 -20.933 1.00 53.53 O ATOM 844 CB ASP A 56 5.762 -9.301 -17.976 1.00 3.10 C ATOM 845 CG ASP A 56 6.864 -8.715 -18.836 1.00 43.52 C ATOM 846 OD1 ASP A 56 7.821 -9.450 -19.157 1.00 2.15 O ATOM 847 OD2 ASP A 56 6.770 -7.520 -19.188 1.00 44.24 O ATOM 0 H ASP A 56 7.013 -11.406 -18.312 1.00 2.52 H new ATOM 0 HA ASP A 56 4.249 -10.824 -18.025 1.00 32.41 H new ATOM 0 HB2 ASP A 56 4.994 -8.546 -17.811 1.00 3.10 H new ATOM 0 HB3 ASP A 56 6.168 -9.562 -16.999 1.00 3.10 H new ATOM 852 N VAL A 57 3.368 -10.134 -20.229 1.00 4.22 N ATOM 853 CA VAL A 57 2.812 -9.840 -21.544 1.00 60.22 C ATOM 854 C VAL A 57 1.998 -8.551 -21.521 1.00 70.43 C ATOM 855 O VAL A 57 1.863 -7.908 -20.480 1.00 64.53 O ATOM 856 CB VAL A 57 1.918 -10.990 -22.045 1.00 22.30 C ATOM 857 CG1 VAL A 57 2.745 -12.244 -22.285 1.00 45.25 C ATOM 858 CG2 VAL A 57 0.797 -11.263 -21.054 1.00 20.42 C ATOM 0 H VAL A 57 2.671 -10.256 -19.494 1.00 4.22 H new ATOM 0 HA VAL A 57 3.655 -9.722 -22.225 1.00 60.22 H new ATOM 0 HB VAL A 57 1.470 -10.692 -22.993 1.00 22.30 H new ATOM 0 HG11 VAL A 57 2.096 -13.045 -22.638 1.00 45.25 H new ATOM 0 HG12 VAL A 57 3.509 -12.038 -23.035 1.00 45.25 H new ATOM 0 HG13 VAL A 57 3.223 -12.548 -21.354 1.00 45.25 H new ATOM 0 HG21 VAL A 57 0.175 -12.078 -21.424 1.00 20.42 H new ATOM 0 HG22 VAL A 57 1.223 -11.540 -20.090 1.00 20.42 H new ATOM 0 HG23 VAL A 57 0.188 -10.366 -20.937 1.00 20.42 H new TER 868 VAL A 57