USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=9 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+ 180:sc= 0 (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 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.533 K(o=-0.53,f=-4.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.56! C(o=-5.6!,f=-12!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= -0.709 USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.624) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.006 -0.666 -1.248 1.00 21.43 N ATOM 2 CA SER A 1 1.347 -0.404 -1.756 1.00 43.42 C ATOM 3 C SER A 1 2.165 -1.690 -1.821 1.00 43.32 C ATOM 4 O SER A 1 2.707 -2.145 -0.815 1.00 31.35 O ATOM 5 CB SER A 1 2.059 0.623 -0.872 1.00 73.33 C ATOM 6 OG SER A 1 1.585 1.933 -1.130 1.00 13.15 O ATOM 0 H1 SER A 1 -0.532 0.223 -1.213 1.00 21.43 H new ATOM 0 H2 SER A 1 -0.478 -1.339 -1.876 1.00 21.43 H new ATOM 0 H3 SER A 1 0.070 -1.070 -0.292 1.00 21.43 H new ATOM 0 HA SER A 1 1.254 -0.002 -2.765 1.00 43.42 H new ATOM 0 HB2 SER A 1 1.901 0.376 0.178 1.00 73.33 H new ATOM 0 HB3 SER A 1 3.133 0.580 -1.051 1.00 73.33 H new ATOM 0 HG SER A 1 2.054 2.570 -0.552 1.00 13.15 H new ATOM 12 N ALA A 2 2.250 -2.270 -3.014 1.00 31.12 N ATOM 13 CA ALA A 2 3.003 -3.502 -3.212 1.00 72.31 C ATOM 14 C ALA A 2 4.472 -3.208 -3.494 1.00 63.35 C ATOM 15 O ALA A 2 4.847 -2.068 -3.768 1.00 12.34 O ATOM 16 CB ALA A 2 2.397 -4.314 -4.348 1.00 3.13 C ATOM 0 H ALA A 2 1.807 -1.906 -3.858 1.00 31.12 H new ATOM 0 HA ALA A 2 2.947 -4.085 -2.293 1.00 72.31 H new ATOM 0 HB1 ALA A 2 2.969 -5.232 -4.485 1.00 3.13 H new ATOM 0 HB2 ALA A 2 1.364 -4.563 -4.106 1.00 3.13 H new ATOM 0 HB3 ALA A 2 2.423 -3.729 -5.268 1.00 3.13 H new ATOM 22 N LYS A 3 5.302 -4.244 -3.426 1.00 73.02 N ATOM 23 CA LYS A 3 6.731 -4.098 -3.675 1.00 50.01 C ATOM 24 C LYS A 3 7.208 -5.108 -4.714 1.00 24.15 C ATOM 25 O LYS A 3 6.442 -5.961 -5.162 1.00 51.43 O ATOM 26 CB LYS A 3 7.517 -4.278 -2.374 1.00 40.43 C ATOM 27 CG LYS A 3 7.416 -5.676 -1.791 1.00 32.23 C ATOM 28 CD LYS A 3 7.634 -5.670 -0.287 1.00 33.01 C ATOM 29 CE LYS A 3 6.392 -5.198 0.454 1.00 2.02 C ATOM 30 NZ LYS A 3 6.716 -4.708 1.822 1.00 10.55 N ATOM 0 H LYS A 3 5.009 -5.195 -3.200 1.00 73.02 H new ATOM 0 HA LYS A 3 6.907 -3.094 -4.062 1.00 50.01 H new ATOM 0 HB2 LYS A 3 8.566 -4.045 -2.558 1.00 40.43 H new ATOM 0 HB3 LYS A 3 7.155 -3.560 -1.638 1.00 40.43 H new ATOM 0 HG2 LYS A 3 6.435 -6.095 -2.016 1.00 32.23 H new ATOM 0 HG3 LYS A 3 8.155 -6.323 -2.264 1.00 32.23 H new ATOM 0 HD2 LYS A 3 7.899 -6.673 0.047 1.00 33.01 H new ATOM 0 HD3 LYS A 3 8.474 -5.020 -0.043 1.00 33.01 H new ATOM 0 HE2 LYS A 3 5.912 -4.401 -0.113 1.00 2.02 H new ATOM 0 HE3 LYS A 3 5.676 -6.017 0.522 1.00 2.02 H new ATOM 0 HZ1 LYS A 3 5.844 -4.395 2.294 1.00 10.55 H new ATOM 0 HZ2 LYS A 3 7.151 -5.476 2.372 1.00 10.55 H new ATOM 0 HZ3 LYS A 3 7.380 -3.910 1.757 1.00 10.55 H new ATOM 44 N ASP A 4 8.478 -5.007 -5.090 1.00 24.21 N ATOM 45 CA ASP A 4 9.059 -5.914 -6.074 1.00 13.14 C ATOM 46 C ASP A 4 8.979 -7.360 -5.593 1.00 41.35 C ATOM 47 O ASP A 4 9.576 -7.722 -4.580 1.00 51.25 O ATOM 48 CB ASP A 4 10.514 -5.535 -6.352 1.00 22.23 C ATOM 49 CG ASP A 4 10.988 -6.014 -7.710 1.00 33.11 C ATOM 50 OD1 ASP A 4 10.492 -7.061 -8.175 1.00 71.33 O ATOM 51 OD2 ASP A 4 11.855 -5.342 -8.307 1.00 72.23 O ATOM 0 H ASP A 4 9.125 -4.306 -4.729 1.00 24.21 H new ATOM 0 HA ASP A 4 8.487 -5.825 -6.997 1.00 13.14 H new ATOM 0 HB2 ASP A 4 10.622 -4.452 -6.294 1.00 22.23 H new ATOM 0 HB3 ASP A 4 11.152 -5.960 -5.577 1.00 22.23 H new ATOM 56 N GLY A 5 8.236 -8.182 -6.328 1.00 63.23 N ATOM 57 CA GLY A 5 8.091 -9.579 -5.961 1.00 42.40 C ATOM 58 C GLY A 5 6.698 -9.905 -5.459 1.00 45.44 C ATOM 59 O GLY A 5 6.492 -10.923 -4.800 1.00 35.24 O ATOM 0 H GLY A 5 7.732 -7.906 -7.171 1.00 63.23 H new ATOM 0 HA2 GLY A 5 8.318 -10.204 -6.825 1.00 42.40 H new ATOM 0 HA3 GLY A 5 8.819 -9.826 -5.189 1.00 42.40 H new ATOM 63 N ASP A 6 5.741 -9.038 -5.771 1.00 4.42 N ATOM 64 CA ASP A 6 4.361 -9.238 -5.347 1.00 14.03 C ATOM 65 C ASP A 6 3.498 -9.713 -6.512 1.00 32.24 C ATOM 66 O ASP A 6 3.560 -9.160 -7.610 1.00 31.42 O ATOM 67 CB ASP A 6 3.789 -7.943 -4.768 1.00 3.41 C ATOM 68 CG ASP A 6 4.222 -7.709 -3.334 1.00 34.13 C ATOM 69 OD1 ASP A 6 5.378 -8.042 -3.001 1.00 61.54 O ATOM 70 OD2 ASP A 6 3.403 -7.194 -2.543 1.00 41.13 O ATOM 0 H ASP A 6 5.896 -8.190 -6.316 1.00 4.42 H new ATOM 0 HA ASP A 6 4.353 -10.007 -4.574 1.00 14.03 H new ATOM 0 HB2 ASP A 6 4.108 -7.101 -5.383 1.00 3.41 H new ATOM 0 HB3 ASP A 6 2.701 -7.977 -4.815 1.00 3.41 H new ATOM 75 N VAL A 7 2.694 -10.743 -6.265 1.00 12.54 N ATOM 76 CA VAL A 7 1.818 -11.293 -7.293 1.00 2.45 C ATOM 77 C VAL A 7 0.375 -11.359 -6.807 1.00 14.21 C ATOM 78 O VAL A 7 0.099 -11.172 -5.622 1.00 41.44 O ATOM 79 CB VAL A 7 2.270 -12.702 -7.719 1.00 51.12 C ATOM 80 CG1 VAL A 7 3.676 -12.660 -8.298 1.00 51.31 C ATOM 81 CG2 VAL A 7 2.198 -13.663 -6.542 1.00 74.24 C ATOM 0 H VAL A 7 2.631 -11.213 -5.362 1.00 12.54 H new ATOM 0 HA VAL A 7 1.878 -10.625 -8.152 1.00 2.45 H new ATOM 0 HB VAL A 7 1.594 -13.062 -8.495 1.00 51.12 H new ATOM 0 HG11 VAL A 7 3.978 -13.665 -8.593 1.00 51.31 H new ATOM 0 HG12 VAL A 7 3.691 -12.006 -9.170 1.00 51.31 H new ATOM 0 HG13 VAL A 7 4.368 -12.279 -7.547 1.00 51.31 H new ATOM 0 HG21 VAL A 7 2.521 -14.654 -6.861 1.00 74.24 H new ATOM 0 HG22 VAL A 7 2.849 -13.309 -5.743 1.00 74.24 H new ATOM 0 HG23 VAL A 7 1.172 -13.716 -6.177 1.00 74.24 H new ATOM 91 N GLU A 8 -0.543 -11.627 -7.731 1.00 11.13 N ATOM 92 CA GLU A 8 -1.959 -11.718 -7.396 1.00 14.52 C ATOM 93 C GLU A 8 -2.495 -13.120 -7.670 1.00 43.02 C ATOM 94 O GLU A 8 -2.171 -13.732 -8.688 1.00 15.55 O ATOM 95 CB GLU A 8 -2.762 -10.688 -8.194 1.00 61.12 C ATOM 96 CG GLU A 8 -4.192 -10.522 -7.708 1.00 40.54 C ATOM 97 CD GLU A 8 -4.782 -9.176 -8.082 1.00 40.41 C ATOM 98 OE1 GLU A 8 -4.123 -8.146 -7.826 1.00 21.50 O ATOM 99 OE2 GLU A 8 -5.903 -9.152 -8.631 1.00 74.03 O ATOM 0 H GLU A 8 -0.331 -11.785 -8.716 1.00 11.13 H new ATOM 0 HA GLU A 8 -2.068 -11.508 -6.332 1.00 14.52 H new ATOM 0 HB2 GLU A 8 -2.255 -9.724 -8.141 1.00 61.12 H new ATOM 0 HB3 GLU A 8 -2.776 -10.984 -9.243 1.00 61.12 H new ATOM 0 HG2 GLU A 8 -4.810 -11.315 -8.130 1.00 40.54 H new ATOM 0 HG3 GLU A 8 -4.220 -10.638 -6.625 1.00 40.54 H new ATOM 106 N GLY A 9 -3.316 -13.624 -6.754 1.00 3.35 N ATOM 107 CA GLY A 9 -3.882 -14.950 -6.914 1.00 31.22 C ATOM 108 C GLY A 9 -3.737 -15.797 -5.665 1.00 64.43 C ATOM 109 O GLY A 9 -3.455 -15.295 -4.577 1.00 45.34 O ATOM 0 H GLY A 9 -3.599 -13.137 -5.904 1.00 3.35 H new ATOM 0 HA2 GLY A 9 -4.938 -14.862 -7.169 1.00 31.22 H new ATOM 0 HA3 GLY A 9 -3.393 -15.452 -7.749 1.00 31.22 H new ATOM 113 N PRO A 10 -3.933 -17.116 -5.814 1.00 13.10 N ATOM 114 CA PRO A 10 -3.829 -18.062 -4.700 1.00 25.54 C ATOM 115 C PRO A 10 -2.392 -18.232 -4.216 1.00 14.00 C ATOM 116 O PRO A 10 -1.461 -18.298 -5.018 1.00 33.32 O ATOM 117 CB PRO A 10 -4.350 -19.372 -5.296 1.00 62.15 C ATOM 118 CG PRO A 10 -4.108 -19.244 -6.761 1.00 5.12 C ATOM 119 CD PRO A 10 -4.272 -17.784 -7.082 1.00 34.14 C ATOM 0 HA PRO A 10 -4.386 -17.724 -3.826 1.00 25.54 H new ATOM 0 HB2 PRO A 10 -3.824 -20.232 -4.882 1.00 62.15 H new ATOM 0 HB3 PRO A 10 -5.409 -19.511 -5.080 1.00 62.15 H new ATOM 0 HG2 PRO A 10 -3.109 -19.591 -7.023 1.00 5.12 H new ATOM 0 HG3 PRO A 10 -4.815 -19.850 -7.328 1.00 5.12 H new ATOM 0 HD2 PRO A 10 -3.609 -17.473 -7.890 1.00 34.14 H new ATOM 0 HD3 PRO A 10 -5.289 -17.554 -7.398 1.00 34.14 H new ATOM 127 N ALA A 11 -2.220 -18.302 -2.900 1.00 54.20 N ATOM 128 CA ALA A 11 -0.898 -18.466 -2.310 1.00 64.11 C ATOM 129 C ALA A 11 -0.247 -19.765 -2.774 1.00 40.23 C ATOM 130 O ALA A 11 -0.802 -20.848 -2.594 1.00 1.35 O ATOM 131 CB ALA A 11 -0.989 -18.433 -0.792 1.00 0.43 C ATOM 0 H ALA A 11 -2.980 -18.248 -2.222 1.00 54.20 H new ATOM 0 HA ALA A 11 -0.274 -17.637 -2.644 1.00 64.11 H new ATOM 0 HB1 ALA A 11 0.006 -18.557 -0.365 1.00 0.43 H new ATOM 0 HB2 ALA A 11 -1.404 -17.477 -0.473 1.00 0.43 H new ATOM 0 HB3 ALA A 11 -1.634 -19.242 -0.449 1.00 0.43 H new ATOM 137 N GLY A 12 0.934 -19.648 -3.375 1.00 32.43 N ATOM 138 CA GLY A 12 1.640 -20.821 -3.856 1.00 71.23 C ATOM 139 C GLY A 12 1.682 -20.892 -5.370 1.00 35.12 C ATOM 140 O GLY A 12 2.224 -21.839 -5.940 1.00 22.11 O ATOM 0 H GLY A 12 1.414 -18.762 -3.537 1.00 32.43 H new ATOM 0 HA2 GLY A 12 2.658 -20.813 -3.467 1.00 71.23 H new ATOM 0 HA3 GLY A 12 1.157 -21.717 -3.467 1.00 71.23 H new ATOM 144 N CYS A 13 1.106 -19.889 -6.024 1.00 15.24 N ATOM 145 CA CYS A 13 1.077 -19.841 -7.480 1.00 75.34 C ATOM 146 C CYS A 13 2.483 -19.668 -8.047 1.00 52.10 C ATOM 147 O CYS A 13 3.473 -19.774 -7.324 1.00 25.32 O ATOM 148 CB CYS A 13 0.178 -18.698 -7.956 1.00 45.25 C ATOM 149 SG CYS A 13 0.883 -17.039 -7.690 1.00 52.04 S ATOM 0 H CYS A 13 0.653 -19.098 -5.567 1.00 15.24 H new ATOM 0 HA CYS A 13 0.673 -20.786 -7.842 1.00 75.34 H new ATOM 0 HB2 CYS A 13 -0.026 -18.829 -9.019 1.00 45.25 H new ATOM 0 HB3 CYS A 13 -0.779 -18.762 -7.438 1.00 45.25 H new ATOM 154 N LYS A 14 2.562 -19.400 -9.346 1.00 62.00 N ATOM 155 CA LYS A 14 3.846 -19.210 -10.011 1.00 54.05 C ATOM 156 C LYS A 14 4.247 -17.738 -10.010 1.00 32.43 C ATOM 157 O LYS A 14 3.395 -16.852 -9.938 1.00 3.04 O ATOM 158 CB LYS A 14 3.780 -19.730 -11.449 1.00 52.13 C ATOM 159 CG LYS A 14 4.372 -21.118 -11.622 1.00 0.11 C ATOM 160 CD LYS A 14 3.749 -22.114 -10.658 1.00 5.44 C ATOM 161 CE LYS A 14 3.691 -23.510 -11.259 1.00 1.44 C ATOM 162 NZ LYS A 14 3.415 -24.547 -10.226 1.00 44.13 N ATOM 0 H LYS A 14 1.752 -19.309 -9.959 1.00 62.00 H new ATOM 0 HA LYS A 14 4.599 -19.774 -9.461 1.00 54.05 H new ATOM 0 HB2 LYS A 14 2.740 -19.745 -11.774 1.00 52.13 H new ATOM 0 HB3 LYS A 14 4.308 -19.035 -12.102 1.00 52.13 H new ATOM 0 HG2 LYS A 14 4.216 -21.456 -12.647 1.00 0.11 H new ATOM 0 HG3 LYS A 14 5.449 -21.078 -11.460 1.00 0.11 H new ATOM 0 HD2 LYS A 14 4.327 -22.138 -9.734 1.00 5.44 H new ATOM 0 HD3 LYS A 14 2.743 -21.788 -10.396 1.00 5.44 H new ATOM 0 HE2 LYS A 14 2.916 -23.544 -12.024 1.00 1.44 H new ATOM 0 HE3 LYS A 14 4.637 -23.732 -11.753 1.00 1.44 H new ATOM 0 HZ1 LYS A 14 3.383 -25.485 -10.675 1.00 44.13 H new ATOM 0 HZ2 LYS A 14 4.168 -24.532 -9.509 1.00 44.13 H new ATOM 0 HZ3 LYS A 14 2.501 -24.350 -9.772 1.00 44.13 H new ATOM 176 N LYS A 15 5.549 -17.485 -10.091 1.00 15.41 N ATOM 177 CA LYS A 15 6.063 -16.121 -10.102 1.00 4.54 C ATOM 178 C LYS A 15 6.948 -15.882 -11.321 1.00 71.43 C ATOM 179 O LYS A 15 7.201 -16.798 -12.105 1.00 0.22 O ATOM 180 CB LYS A 15 6.855 -15.842 -8.822 1.00 24.40 C ATOM 181 CG LYS A 15 5.980 -15.537 -7.619 1.00 33.30 C ATOM 182 CD LYS A 15 6.653 -15.950 -6.321 1.00 13.45 C ATOM 183 CE LYS A 15 7.365 -14.777 -5.665 1.00 1.50 C ATOM 184 NZ LYS A 15 8.204 -15.210 -4.513 1.00 72.24 N ATOM 0 H LYS A 15 6.267 -18.207 -10.150 1.00 15.41 H new ATOM 0 HA LYS A 15 5.213 -15.440 -10.153 1.00 4.54 H new ATOM 0 HB2 LYS A 15 7.480 -16.706 -8.596 1.00 24.40 H new ATOM 0 HB3 LYS A 15 7.525 -15.000 -8.996 1.00 24.40 H new ATOM 0 HG2 LYS A 15 5.757 -14.470 -7.591 1.00 33.30 H new ATOM 0 HG3 LYS A 15 5.028 -16.059 -7.719 1.00 33.30 H new ATOM 0 HD2 LYS A 15 5.908 -16.354 -5.636 1.00 13.45 H new ATOM 0 HD3 LYS A 15 7.369 -16.747 -6.519 1.00 13.45 H new ATOM 0 HE2 LYS A 15 7.992 -14.275 -6.402 1.00 1.50 H new ATOM 0 HE3 LYS A 15 6.628 -14.050 -5.324 1.00 1.50 H new ATOM 0 HZ1 LYS A 15 8.672 -14.381 -4.094 1.00 72.24 H new ATOM 0 HZ2 LYS A 15 7.603 -15.667 -3.798 1.00 72.24 H new ATOM 0 HZ3 LYS A 15 8.924 -15.885 -4.842 1.00 72.24 H new ATOM 198 N TYR A 16 7.416 -14.649 -11.475 1.00 0.20 N ATOM 199 CA TYR A 16 8.272 -14.291 -12.600 1.00 13.31 C ATOM 200 C TYR A 16 9.480 -15.219 -12.683 1.00 12.24 C ATOM 201 O TYR A 16 10.076 -15.572 -11.665 1.00 60.21 O ATOM 202 CB TYR A 16 8.737 -12.839 -12.472 1.00 25.33 C ATOM 203 CG TYR A 16 9.698 -12.413 -13.559 1.00 22.42 C ATOM 204 CD1 TYR A 16 9.242 -12.104 -14.834 1.00 54.02 C ATOM 205 CD2 TYR A 16 11.062 -12.321 -13.311 1.00 61.32 C ATOM 206 CE1 TYR A 16 10.116 -11.715 -15.831 1.00 34.01 C ATOM 207 CE2 TYR A 16 11.943 -11.932 -14.301 1.00 41.23 C ATOM 208 CZ TYR A 16 11.465 -11.630 -15.559 1.00 42.04 C ATOM 209 OH TYR A 16 12.340 -11.243 -16.549 1.00 32.02 O ATOM 0 H TYR A 16 7.217 -13.880 -10.835 1.00 0.20 H new ATOM 0 HA TYR A 16 7.690 -14.400 -13.515 1.00 13.31 H new ATOM 0 HB2 TYR A 16 7.866 -12.184 -12.492 1.00 25.33 H new ATOM 0 HB3 TYR A 16 9.216 -12.704 -11.502 1.00 25.33 H new ATOM 0 HD1 TYR A 16 8.186 -12.169 -15.050 1.00 54.02 H new ATOM 0 HD2 TYR A 16 11.440 -12.558 -12.327 1.00 61.32 H new ATOM 0 HE1 TYR A 16 9.745 -11.479 -16.817 1.00 34.01 H new ATOM 0 HE2 TYR A 16 13.000 -11.865 -14.091 1.00 41.23 H new ATOM 0 HH TYR A 16 13.253 -11.233 -16.193 1.00 32.02 H new ATOM 219 N ASP A 17 9.835 -15.609 -13.902 1.00 20.24 N ATOM 220 CA ASP A 17 10.973 -16.495 -14.120 1.00 11.24 C ATOM 221 C ASP A 17 10.775 -17.823 -13.395 1.00 54.33 C ATOM 222 O ASP A 17 11.673 -18.307 -12.707 1.00 44.05 O ATOM 223 CB ASP A 17 12.264 -15.828 -13.643 1.00 42.33 C ATOM 224 CG ASP A 17 12.838 -14.875 -14.674 1.00 15.45 C ATOM 225 OD1 ASP A 17 12.110 -14.522 -15.625 1.00 72.41 O ATOM 226 OD2 ASP A 17 14.014 -14.482 -14.529 1.00 2.53 O ATOM 0 H ASP A 17 9.352 -15.326 -14.754 1.00 20.24 H new ATOM 0 HA ASP A 17 11.048 -16.693 -15.189 1.00 11.24 H new ATOM 0 HB2 ASP A 17 12.069 -15.284 -12.719 1.00 42.33 H new ATOM 0 HB3 ASP A 17 13.002 -16.596 -13.411 1.00 42.33 H new ATOM 231 N VAL A 18 9.591 -18.406 -13.554 1.00 31.43 N ATOM 232 CA VAL A 18 9.274 -19.678 -12.915 1.00 61.31 C ATOM 233 C VAL A 18 8.410 -20.548 -13.821 1.00 54.20 C ATOM 234 O VAL A 18 7.435 -20.075 -14.405 1.00 63.12 O ATOM 235 CB VAL A 18 8.544 -19.467 -11.575 1.00 70.24 C ATOM 236 CG1 VAL A 18 8.328 -20.797 -10.870 1.00 33.13 C ATOM 237 CG2 VAL A 18 9.322 -18.505 -10.691 1.00 23.13 C ATOM 0 H VAL A 18 8.836 -18.018 -14.119 1.00 31.43 H new ATOM 0 HA VAL A 18 10.222 -20.183 -12.728 1.00 61.31 H new ATOM 0 HB VAL A 18 7.567 -19.028 -11.778 1.00 70.24 H new ATOM 0 HG11 VAL A 18 7.811 -20.628 -9.925 1.00 33.13 H new ATOM 0 HG12 VAL A 18 7.726 -21.450 -11.502 1.00 33.13 H new ATOM 0 HG13 VAL A 18 9.292 -21.267 -10.677 1.00 33.13 H new ATOM 0 HG21 VAL A 18 8.792 -18.367 -9.749 1.00 23.13 H new ATOM 0 HG22 VAL A 18 10.313 -18.913 -10.494 1.00 23.13 H new ATOM 0 HG23 VAL A 18 9.419 -17.544 -11.196 1.00 23.13 H new ATOM 247 N GLU A 19 8.773 -21.822 -13.932 1.00 44.44 N ATOM 248 CA GLU A 19 8.030 -22.757 -14.768 1.00 22.40 C ATOM 249 C GLU A 19 6.595 -22.908 -14.272 1.00 71.01 C ATOM 250 O GLU A 19 6.307 -22.695 -13.094 1.00 24.22 O ATOM 251 CB GLU A 19 8.722 -24.122 -14.784 1.00 31.15 C ATOM 252 CG GLU A 19 8.473 -24.916 -16.055 1.00 32.32 C ATOM 253 CD GLU A 19 7.367 -25.941 -15.895 1.00 20.51 C ATOM 254 OE1 GLU A 19 7.254 -26.525 -14.797 1.00 24.34 O ATOM 255 OE2 GLU A 19 6.615 -26.160 -16.867 1.00 71.33 O ATOM 0 H GLU A 19 9.576 -22.230 -13.454 1.00 44.44 H new ATOM 0 HA GLU A 19 8.006 -22.358 -15.782 1.00 22.40 H new ATOM 0 HB2 GLU A 19 9.795 -23.977 -14.661 1.00 31.15 H new ATOM 0 HB3 GLU A 19 8.378 -24.704 -13.929 1.00 31.15 H new ATOM 0 HG2 GLU A 19 8.214 -24.231 -16.862 1.00 32.32 H new ATOM 0 HG3 GLU A 19 9.393 -25.422 -16.349 1.00 32.32 H new ATOM 262 N CYS A 20 5.697 -23.276 -15.180 1.00 1.10 N ATOM 263 CA CYS A 20 4.291 -23.455 -14.837 1.00 43.54 C ATOM 264 C CYS A 20 3.675 -24.592 -15.646 1.00 32.51 C ATOM 265 O CYS A 20 4.267 -25.074 -16.612 1.00 5.33 O ATOM 266 CB CYS A 20 3.516 -22.159 -15.086 1.00 33.33 C ATOM 267 SG CYS A 20 3.294 -21.752 -16.847 1.00 53.33 S ATOM 0 H CYS A 20 5.918 -23.456 -16.159 1.00 1.10 H new ATOM 0 HA CYS A 20 4.230 -23.710 -13.779 1.00 43.54 H new ATOM 0 HB2 CYS A 20 2.536 -22.239 -14.616 1.00 33.33 H new ATOM 0 HB3 CYS A 20 4.038 -21.336 -14.597 1.00 33.33 H new ATOM 272 N ASP A 21 2.482 -25.017 -15.244 1.00 71.23 N ATOM 273 CA ASP A 21 1.784 -26.097 -15.932 1.00 34.45 C ATOM 274 C ASP A 21 0.763 -25.542 -16.920 1.00 61.32 C ATOM 275 O ASP A 21 0.127 -24.520 -16.663 1.00 31.52 O ATOM 276 CB ASP A 21 1.088 -27.009 -14.919 1.00 41.13 C ATOM 277 CG ASP A 21 1.127 -28.467 -15.331 1.00 74.44 C ATOM 278 OD1 ASP A 21 2.137 -28.887 -15.934 1.00 12.24 O ATOM 279 OD2 ASP A 21 0.146 -29.189 -15.053 1.00 22.25 O ATOM 0 H ASP A 21 1.978 -24.630 -14.446 1.00 71.23 H new ATOM 0 HA ASP A 21 2.521 -26.678 -16.487 1.00 34.45 H new ATOM 0 HB2 ASP A 21 1.565 -26.897 -13.945 1.00 41.13 H new ATOM 0 HB3 ASP A 21 0.051 -26.695 -14.804 1.00 41.13 H new ATOM 284 N SER A 22 0.613 -26.222 -18.052 1.00 62.25 N ATOM 285 CA SER A 22 -0.326 -25.794 -19.082 1.00 74.43 C ATOM 286 C SER A 22 -0.014 -24.375 -19.547 1.00 64.55 C ATOM 287 O SER A 22 -0.881 -23.675 -20.068 1.00 71.40 O ATOM 288 CB SER A 22 -1.761 -25.866 -18.555 1.00 42.02 C ATOM 289 OG SER A 22 -2.172 -27.210 -18.377 1.00 31.25 O ATOM 0 H SER A 22 1.130 -27.072 -18.279 1.00 62.25 H new ATOM 0 HA SER A 22 -0.224 -26.467 -19.933 1.00 74.43 H new ATOM 0 HB2 SER A 22 -1.831 -25.333 -17.607 1.00 42.02 H new ATOM 0 HB3 SER A 22 -2.433 -25.366 -19.252 1.00 42.02 H new ATOM 0 HG SER A 22 -3.091 -27.229 -18.038 1.00 31.25 H new ATOM 295 N GLY A 23 1.234 -23.958 -19.355 1.00 50.32 N ATOM 296 CA GLY A 23 1.641 -22.625 -19.760 1.00 14.42 C ATOM 297 C GLY A 23 0.801 -21.541 -19.113 1.00 74.03 C ATOM 298 O GLY A 23 0.701 -20.431 -19.634 1.00 45.32 O ATOM 0 H GLY A 23 1.970 -24.519 -18.926 1.00 50.32 H new ATOM 0 HA2 GLY A 23 2.688 -22.473 -19.499 1.00 14.42 H new ATOM 0 HA3 GLY A 23 1.567 -22.539 -20.844 1.00 14.42 H new ATOM 302 N GLU A 24 0.193 -21.865 -17.976 1.00 3.32 N ATOM 303 CA GLU A 24 -0.645 -20.910 -17.260 1.00 25.14 C ATOM 304 C GLU A 24 0.139 -20.232 -16.139 1.00 40.35 C ATOM 305 O GLU A 24 0.749 -20.897 -15.302 1.00 31.12 O ATOM 306 CB GLU A 24 -1.876 -21.611 -16.683 1.00 74.00 C ATOM 307 CG GLU A 24 -2.931 -20.653 -16.155 1.00 4.41 C ATOM 308 CD GLU A 24 -4.034 -21.361 -15.393 1.00 4.03 C ATOM 309 OE1 GLU A 24 -4.456 -22.450 -15.835 1.00 12.34 O ATOM 310 OE2 GLU A 24 -4.474 -20.826 -14.354 1.00 1.14 O ATOM 0 H GLU A 24 0.265 -22.780 -17.531 1.00 3.32 H new ATOM 0 HA GLU A 24 -0.968 -20.147 -17.968 1.00 25.14 H new ATOM 0 HB2 GLU A 24 -2.321 -22.239 -17.455 1.00 74.00 H new ATOM 0 HB3 GLU A 24 -1.562 -22.273 -15.876 1.00 74.00 H new ATOM 0 HG2 GLU A 24 -2.457 -19.920 -15.502 1.00 4.41 H new ATOM 0 HG3 GLU A 24 -3.366 -20.103 -16.989 1.00 4.41 H new ATOM 317 N CYS A 25 0.118 -18.903 -16.132 1.00 23.14 N ATOM 318 CA CYS A 25 0.827 -18.133 -15.117 1.00 14.24 C ATOM 319 C CYS A 25 -0.151 -17.520 -14.118 1.00 52.12 C ATOM 320 O CYS A 25 -1.364 -17.541 -14.328 1.00 15.42 O ATOM 321 CB CYS A 25 1.661 -17.031 -15.773 1.00 15.54 C ATOM 322 SG CYS A 25 3.289 -17.586 -16.370 1.00 61.44 S ATOM 0 H CYS A 25 -0.382 -18.337 -16.818 1.00 23.14 H new ATOM 0 HA CYS A 25 1.491 -18.811 -14.580 1.00 14.24 H new ATOM 0 HB2 CYS A 25 1.101 -16.616 -16.611 1.00 15.54 H new ATOM 0 HB3 CYS A 25 1.805 -16.223 -15.055 1.00 15.54 H new ATOM 327 N CYS A 26 0.385 -16.975 -13.032 1.00 3.43 N ATOM 328 CA CYS A 26 -0.438 -16.356 -12.000 1.00 1.22 C ATOM 329 C CYS A 26 -1.344 -15.283 -12.597 1.00 44.23 C ATOM 330 O CYS A 26 -1.254 -14.973 -13.785 1.00 0.41 O ATOM 331 CB CYS A 26 0.446 -15.744 -10.911 1.00 62.22 C ATOM 332 SG CYS A 26 -0.158 -16.027 -9.216 1.00 73.32 S ATOM 0 H CYS A 26 1.387 -16.949 -12.843 1.00 3.43 H new ATOM 0 HA CYS A 26 -1.064 -17.131 -11.558 1.00 1.22 H new ATOM 0 HB2 CYS A 26 1.451 -16.156 -11.000 1.00 62.22 H new ATOM 0 HB3 CYS A 26 0.525 -14.670 -11.083 1.00 62.22 H new ATOM 337 N GLN A 27 -2.214 -14.721 -11.765 1.00 52.42 N ATOM 338 CA GLN A 27 -3.136 -13.683 -12.212 1.00 11.15 C ATOM 339 C GLN A 27 -2.377 -12.463 -12.722 1.00 4.32 C ATOM 340 O GLN A 27 -2.455 -12.117 -13.901 1.00 34.21 O ATOM 341 CB GLN A 27 -4.071 -13.276 -11.071 1.00 24.42 C ATOM 342 CG GLN A 27 -4.796 -14.449 -10.431 1.00 60.32 C ATOM 343 CD GLN A 27 -5.915 -14.988 -11.301 1.00 1.13 C ATOM 344 OE1 GLN A 27 -5.783 -15.069 -12.522 1.00 53.33 O ATOM 345 NE2 GLN A 27 -7.025 -15.360 -10.674 1.00 61.32 N ATOM 0 H GLN A 27 -2.300 -14.966 -10.779 1.00 52.42 H new ATOM 0 HA GLN A 27 -3.729 -14.088 -13.032 1.00 11.15 H new ATOM 0 HB2 GLN A 27 -3.493 -12.756 -10.307 1.00 24.42 H new ATOM 0 HB3 GLN A 27 -4.807 -12.568 -11.451 1.00 24.42 H new ATOM 0 HG2 GLN A 27 -4.081 -15.247 -10.229 1.00 60.32 H new ATOM 0 HG3 GLN A 27 -5.206 -14.138 -9.470 1.00 60.32 H new ATOM 0 HE21 GLN A 27 -7.091 -15.275 -9.660 1.00 61.32 H new ATOM 0 HE22 GLN A 27 -7.812 -15.731 -11.207 1.00 61.32 H new ATOM 354 N LYS A 28 -1.641 -11.813 -11.826 1.00 50.22 N ATOM 355 CA LYS A 28 -0.866 -10.631 -12.185 1.00 23.13 C ATOM 356 C LYS A 28 0.355 -10.487 -11.282 1.00 63.10 C ATOM 357 O LYS A 28 0.451 -11.142 -10.245 1.00 25.23 O ATOM 358 CB LYS A 28 -1.736 -9.376 -12.087 1.00 70.14 C ATOM 359 CG LYS A 28 -2.972 -9.423 -12.969 1.00 32.22 C ATOM 360 CD LYS A 28 -3.790 -8.148 -12.850 1.00 74.44 C ATOM 361 CE LYS A 28 -5.277 -8.422 -13.022 1.00 23.11 C ATOM 362 NZ LYS A 28 -5.992 -7.254 -13.607 1.00 62.42 N ATOM 0 H LYS A 28 -1.565 -12.085 -10.846 1.00 50.22 H new ATOM 0 HA LYS A 28 -0.525 -10.750 -13.213 1.00 23.13 H new ATOM 0 HB2 LYS A 28 -2.044 -9.238 -11.051 1.00 70.14 H new ATOM 0 HB3 LYS A 28 -1.138 -8.507 -12.360 1.00 70.14 H new ATOM 0 HG2 LYS A 28 -2.674 -9.570 -14.007 1.00 32.22 H new ATOM 0 HG3 LYS A 28 -3.587 -10.279 -12.690 1.00 32.22 H new ATOM 0 HD2 LYS A 28 -3.613 -7.691 -11.877 1.00 74.44 H new ATOM 0 HD3 LYS A 28 -3.461 -7.432 -13.603 1.00 74.44 H new ATOM 0 HE2 LYS A 28 -5.414 -9.291 -13.665 1.00 23.11 H new ATOM 0 HE3 LYS A 28 -5.715 -8.669 -12.055 1.00 23.11 H new ATOM 0 HZ1 LYS A 28 -7.002 -7.480 -13.708 1.00 62.42 H new ATOM 0 HZ2 LYS A 28 -5.883 -6.431 -12.981 1.00 62.42 H new ATOM 0 HZ3 LYS A 28 -5.591 -7.034 -14.541 1.00 62.42 H new ATOM 376 N GLN A 29 1.284 -9.625 -11.684 1.00 20.25 N ATOM 377 CA GLN A 29 2.498 -9.395 -10.909 1.00 61.53 C ATOM 378 C GLN A 29 2.896 -7.924 -10.944 1.00 52.53 C ATOM 379 O GLN A 29 2.576 -7.206 -11.893 1.00 23.33 O ATOM 380 CB GLN A 29 3.642 -10.258 -11.447 1.00 14.24 C ATOM 381 CG GLN A 29 4.927 -10.133 -10.644 1.00 53.23 C ATOM 382 CD GLN A 29 5.739 -11.413 -10.640 1.00 11.20 C ATOM 383 OE1 GLN A 29 5.216 -12.495 -10.908 1.00 55.33 O ATOM 384 NE2 GLN A 29 7.026 -11.297 -10.335 1.00 10.43 N ATOM 0 H GLN A 29 1.219 -9.075 -12.541 1.00 20.25 H new ATOM 0 HA GLN A 29 2.297 -9.673 -9.874 1.00 61.53 H new ATOM 0 HB2 GLN A 29 3.327 -11.302 -11.453 1.00 14.24 H new ATOM 0 HB3 GLN A 29 3.841 -9.979 -12.482 1.00 14.24 H new ATOM 0 HG2 GLN A 29 5.531 -9.325 -11.056 1.00 53.23 H new ATOM 0 HG3 GLN A 29 4.684 -9.858 -9.618 1.00 53.23 H new ATOM 0 HE21 GLN A 29 7.418 -10.381 -10.119 1.00 10.43 H new ATOM 0 HE22 GLN A 29 7.622 -12.124 -10.316 1.00 10.43 H new ATOM 393 N TYR A 30 3.594 -7.480 -9.905 1.00 53.30 N ATOM 394 CA TYR A 30 4.033 -6.092 -9.816 1.00 33.25 C ATOM 395 C TYR A 30 5.405 -5.913 -10.457 1.00 2.50 C ATOM 396 O TYR A 30 6.435 -6.152 -9.826 1.00 22.55 O ATOM 397 CB TYR A 30 4.078 -5.643 -8.354 1.00 53.21 C ATOM 398 CG TYR A 30 4.055 -4.141 -8.182 1.00 4.25 C ATOM 399 CD1 TYR A 30 3.093 -3.363 -8.815 1.00 23.53 C ATOM 400 CD2 TYR A 30 4.997 -3.499 -7.386 1.00 54.14 C ATOM 401 CE1 TYR A 30 3.069 -1.991 -8.661 1.00 3.24 C ATOM 402 CE2 TYR A 30 4.979 -2.127 -7.225 1.00 63.03 C ATOM 403 CZ TYR A 30 4.014 -1.377 -7.865 1.00 30.44 C ATOM 404 OH TYR A 30 3.994 -0.010 -7.708 1.00 23.41 O ATOM 0 H TYR A 30 3.868 -8.061 -9.113 1.00 53.30 H new ATOM 0 HA TYR A 30 3.316 -5.475 -10.357 1.00 33.25 H new ATOM 0 HB2 TYR A 30 3.229 -6.074 -7.824 1.00 53.21 H new ATOM 0 HB3 TYR A 30 4.980 -6.040 -7.888 1.00 53.21 H new ATOM 0 HD1 TYR A 30 2.351 -3.840 -9.438 1.00 23.53 H new ATOM 0 HD2 TYR A 30 5.755 -4.083 -6.885 1.00 54.14 H new ATOM 0 HE1 TYR A 30 2.315 -1.402 -9.161 1.00 3.24 H new ATOM 0 HE2 TYR A 30 5.717 -1.644 -6.601 1.00 63.03 H new ATOM 0 HH TYR A 30 4.726 0.262 -7.116 1.00 23.41 H new ATOM 414 N LEU A 31 5.411 -5.488 -11.716 1.00 25.13 N ATOM 415 CA LEU A 31 6.657 -5.274 -12.445 1.00 32.50 C ATOM 416 C LEU A 31 6.724 -3.857 -13.004 1.00 42.10 C ATOM 417 O LEU A 31 5.738 -3.338 -13.526 1.00 14.42 O ATOM 418 CB LEU A 31 6.786 -6.290 -13.582 1.00 13.13 C ATOM 419 CG LEU A 31 6.881 -7.757 -13.163 1.00 61.51 C ATOM 420 CD1 LEU A 31 6.293 -8.658 -14.238 1.00 34.42 C ATOM 421 CD2 LEU A 31 8.327 -8.138 -12.878 1.00 52.05 C ATOM 0 H LEU A 31 4.568 -5.285 -12.253 1.00 25.13 H new ATOM 0 HA LEU A 31 7.485 -5.409 -11.749 1.00 32.50 H new ATOM 0 HB2 LEU A 31 5.927 -6.177 -14.243 1.00 13.13 H new ATOM 0 HB3 LEU A 31 7.672 -6.041 -14.166 1.00 13.13 H new ATOM 0 HG LEU A 31 6.304 -7.892 -12.248 1.00 61.51 H new ATOM 0 HD11 LEU A 31 6.369 -9.699 -13.922 1.00 34.42 H new ATOM 0 HD12 LEU A 31 5.245 -8.402 -14.394 1.00 34.42 H new ATOM 0 HD13 LEU A 31 6.843 -8.520 -15.169 1.00 34.42 H new ATOM 0 HD21 LEU A 31 8.375 -9.186 -12.581 1.00 52.05 H new ATOM 0 HD22 LEU A 31 8.927 -7.987 -13.776 1.00 52.05 H new ATOM 0 HD23 LEU A 31 8.716 -7.514 -12.073 1.00 52.05 H new ATOM 433 N TRP A 32 7.894 -3.238 -12.893 1.00 71.00 N ATOM 434 CA TRP A 32 8.090 -1.881 -13.390 1.00 4.23 C ATOM 435 C TRP A 32 7.120 -0.911 -12.723 1.00 63.53 C ATOM 436 O TRP A 32 6.590 -0.007 -13.369 1.00 72.42 O ATOM 437 CB TRP A 32 7.909 -1.840 -14.908 1.00 22.11 C ATOM 438 CG TRP A 32 9.117 -2.308 -15.663 1.00 14.40 C ATOM 439 CD1 TRP A 32 9.866 -3.420 -15.404 1.00 14.35 C ATOM 440 CD2 TRP A 32 9.715 -1.675 -16.799 1.00 52.43 C ATOM 441 NE1 TRP A 32 10.894 -3.516 -16.310 1.00 75.22 N ATOM 442 CE2 TRP A 32 10.823 -2.458 -17.178 1.00 35.35 C ATOM 443 CE3 TRP A 32 9.422 -0.524 -17.535 1.00 55.44 C ATOM 444 CZ2 TRP A 32 11.635 -2.125 -18.258 1.00 25.43 C ATOM 445 CZ3 TRP A 32 10.230 -0.194 -18.607 1.00 35.31 C ATOM 446 CH2 TRP A 32 11.325 -0.993 -18.961 1.00 2.05 C ATOM 0 H TRP A 32 8.721 -3.654 -12.464 1.00 71.00 H new ATOM 0 HA TRP A 32 9.107 -1.575 -13.145 1.00 4.23 H new ATOM 0 HB2 TRP A 32 7.055 -2.460 -15.182 1.00 22.11 H new ATOM 0 HB3 TRP A 32 7.672 -0.820 -15.211 1.00 22.11 H new ATOM 0 HD1 TRP A 32 9.678 -4.121 -14.604 1.00 14.35 H new ATOM 0 HE1 TRP A 32 11.597 -4.255 -16.333 1.00 75.22 H new ATOM 0 HE3 TRP A 32 8.579 0.097 -17.271 1.00 55.44 H new ATOM 0 HZ2 TRP A 32 12.480 -2.739 -18.532 1.00 25.43 H new ATOM 0 HZ3 TRP A 32 10.014 0.695 -19.181 1.00 35.31 H new ATOM 0 HH2 TRP A 32 11.936 -0.710 -19.805 1.00 2.05 H new ATOM 457 N TYR A 33 6.893 -1.105 -11.429 1.00 71.21 N ATOM 458 CA TYR A 33 5.984 -0.249 -10.676 1.00 44.41 C ATOM 459 C TYR A 33 4.586 -0.270 -11.285 1.00 14.21 C ATOM 460 O TYR A 33 3.888 0.745 -11.305 1.00 24.20 O ATOM 461 CB TYR A 33 6.515 1.185 -10.639 1.00 40.52 C ATOM 462 CG TYR A 33 7.627 1.394 -9.636 1.00 41.12 C ATOM 463 CD1 TYR A 33 8.945 1.091 -9.957 1.00 54.15 C ATOM 464 CD2 TYR A 33 7.360 1.893 -8.367 1.00 65.02 C ATOM 465 CE1 TYR A 33 9.964 1.279 -9.044 1.00 51.32 C ATOM 466 CE2 TYR A 33 8.374 2.086 -7.448 1.00 74.22 C ATOM 467 CZ TYR A 33 9.673 1.777 -7.791 1.00 44.31 C ATOM 468 OH TYR A 33 10.685 1.967 -6.878 1.00 23.41 O ATOM 0 H TYR A 33 7.326 -1.847 -10.879 1.00 71.21 H new ATOM 0 HA TYR A 33 5.922 -0.633 -9.658 1.00 44.41 H new ATOM 0 HB2 TYR A 33 6.877 1.455 -11.631 1.00 40.52 H new ATOM 0 HB3 TYR A 33 5.693 1.862 -10.404 1.00 40.52 H new ATOM 0 HD1 TYR A 33 9.176 0.702 -10.938 1.00 54.15 H new ATOM 0 HD2 TYR A 33 6.343 2.134 -8.094 1.00 65.02 H new ATOM 0 HE1 TYR A 33 10.983 1.038 -9.309 1.00 51.32 H new ATOM 0 HE2 TYR A 33 8.150 2.477 -6.466 1.00 74.22 H new ATOM 0 HH TYR A 33 10.312 2.325 -6.045 1.00 23.41 H new ATOM 478 N LYS A 34 4.181 -1.434 -11.781 1.00 31.25 N ATOM 479 CA LYS A 34 2.865 -1.592 -12.389 1.00 2.41 C ATOM 480 C LYS A 34 2.444 -3.057 -12.402 1.00 74.41 C ATOM 481 O LYS A 34 3.281 -3.953 -12.516 1.00 51.54 O ATOM 482 CB LYS A 34 2.871 -1.039 -13.816 1.00 1.20 C ATOM 483 CG LYS A 34 1.579 -0.340 -14.203 1.00 2.12 C ATOM 484 CD LYS A 34 1.668 0.266 -15.594 1.00 33.15 C ATOM 485 CE LYS A 34 2.306 1.646 -15.561 1.00 13.24 C ATOM 486 NZ LYS A 34 2.277 2.302 -16.897 1.00 45.31 N ATOM 0 H LYS A 34 4.746 -2.283 -11.774 1.00 31.25 H new ATOM 0 HA LYS A 34 2.146 -1.032 -11.791 1.00 2.41 H new ATOM 0 HB2 LYS A 34 3.699 -0.338 -13.922 1.00 1.20 H new ATOM 0 HB3 LYS A 34 3.055 -1.857 -14.513 1.00 1.20 H new ATOM 0 HG2 LYS A 34 0.754 -1.052 -14.167 1.00 2.12 H new ATOM 0 HG3 LYS A 34 1.356 0.443 -13.478 1.00 2.12 H new ATOM 0 HD2 LYS A 34 2.250 -0.390 -16.241 1.00 33.15 H new ATOM 0 HD3 LYS A 34 0.670 0.336 -16.026 1.00 33.15 H new ATOM 0 HE2 LYS A 34 1.782 2.271 -14.838 1.00 13.24 H new ATOM 0 HE3 LYS A 34 3.338 1.561 -15.220 1.00 13.24 H new ATOM 0 HZ1 LYS A 34 2.721 3.240 -16.833 1.00 45.31 H new ATOM 0 HZ2 LYS A 34 2.799 1.718 -17.582 1.00 45.31 H new ATOM 0 HZ3 LYS A 34 1.291 2.406 -17.211 1.00 45.31 H new ATOM 500 N TRP A 35 1.142 -3.295 -12.286 1.00 1.32 N ATOM 501 CA TRP A 35 0.610 -4.653 -12.286 1.00 1.21 C ATOM 502 C TRP A 35 0.441 -5.171 -13.710 1.00 14.12 C ATOM 503 O TRP A 35 -0.464 -4.748 -14.430 1.00 61.42 O ATOM 504 CB TRP A 35 -0.731 -4.697 -11.551 1.00 25.32 C ATOM 505 CG TRP A 35 -0.598 -4.553 -10.065 1.00 32.42 C ATOM 506 CD1 TRP A 35 -0.911 -3.454 -9.317 1.00 23.42 C ATOM 507 CD2 TRP A 35 -0.117 -5.542 -9.148 1.00 4.23 C ATOM 508 NE1 TRP A 35 -0.652 -3.700 -7.990 1.00 14.02 N ATOM 509 CE2 TRP A 35 -0.165 -4.974 -7.860 1.00 14.34 C ATOM 510 CE3 TRP A 35 0.349 -6.852 -9.289 1.00 11.23 C ATOM 511 CZ2 TRP A 35 0.235 -5.671 -6.723 1.00 61.21 C ATOM 512 CZ3 TRP A 35 0.746 -7.543 -8.160 1.00 4.42 C ATOM 513 CH2 TRP A 35 0.687 -6.952 -6.891 1.00 32.05 C ATOM 0 H TRP A 35 0.436 -2.565 -12.191 1.00 1.32 H new ATOM 0 HA TRP A 35 1.321 -5.296 -11.768 1.00 1.21 H new ATOM 0 HB2 TRP A 35 -1.372 -3.901 -11.930 1.00 25.32 H new ATOM 0 HB3 TRP A 35 -1.229 -5.640 -11.774 1.00 25.32 H new ATOM 0 HD1 TRP A 35 -1.304 -2.528 -9.710 1.00 23.42 H new ATOM 0 HE1 TRP A 35 -0.799 -3.041 -7.226 1.00 14.02 H new ATOM 0 HE3 TRP A 35 0.398 -7.316 -10.263 1.00 11.23 H new ATOM 0 HZ2 TRP A 35 0.190 -5.217 -5.744 1.00 61.21 H new ATOM 0 HZ3 TRP A 35 1.108 -8.556 -8.257 1.00 4.42 H new ATOM 0 HH2 TRP A 35 1.005 -7.519 -6.028 1.00 32.05 H new ATOM 524 N ARG A 36 1.316 -6.088 -14.109 1.00 54.03 N ATOM 525 CA ARG A 36 1.262 -6.663 -15.448 1.00 44.41 C ATOM 526 C ARG A 36 1.014 -8.167 -15.385 1.00 5.14 C ATOM 527 O ARG A 36 1.342 -8.834 -14.403 1.00 62.01 O ATOM 528 CB ARG A 36 2.565 -6.381 -16.199 1.00 50.13 C ATOM 529 CG ARG A 36 3.093 -4.970 -15.995 1.00 21.43 C ATOM 530 CD ARG A 36 4.337 -4.715 -16.831 1.00 51.54 C ATOM 531 NE ARG A 36 4.772 -3.323 -16.753 1.00 41.45 N ATOM 532 CZ ARG A 36 4.233 -2.343 -17.470 1.00 14.32 C ATOM 533 NH1 ARG A 36 3.242 -2.601 -18.313 1.00 23.02 N ATOM 534 NH2 ARG A 36 4.683 -1.101 -17.343 1.00 62.13 N ATOM 0 H ARG A 36 2.070 -6.449 -13.525 1.00 54.03 H new ATOM 0 HA ARG A 36 0.434 -6.198 -15.983 1.00 44.41 H new ATOM 0 HB2 ARG A 36 3.323 -7.094 -15.874 1.00 50.13 H new ATOM 0 HB3 ARG A 36 2.404 -6.549 -17.264 1.00 50.13 H new ATOM 0 HG2 ARG A 36 2.320 -4.249 -16.261 1.00 21.43 H new ATOM 0 HG3 ARG A 36 3.324 -4.815 -14.941 1.00 21.43 H new ATOM 0 HD2 ARG A 36 5.142 -5.366 -16.491 1.00 51.54 H new ATOM 0 HD3 ARG A 36 4.135 -4.974 -17.870 1.00 51.54 H new ATOM 0 HE ARG A 36 5.531 -3.090 -16.113 1.00 41.45 H new ATOM 0 HH11 ARG A 36 2.892 -3.554 -18.412 1.00 23.02 H new ATOM 0 HH12 ARG A 36 2.830 -1.847 -18.862 1.00 23.02 H new ATOM 0 HH21 ARG A 36 5.444 -0.898 -16.694 1.00 62.13 H new ATOM 0 HH22 ARG A 36 4.268 -0.349 -17.894 1.00 62.13 H new ATOM 548 N PRO A 37 0.421 -8.715 -16.456 1.00 3.14 N ATOM 549 CA PRO A 37 0.116 -10.146 -16.546 1.00 2.21 C ATOM 550 C PRO A 37 1.373 -10.999 -16.683 1.00 54.00 C ATOM 551 O PRO A 37 2.482 -10.475 -16.798 1.00 34.34 O ATOM 552 CB PRO A 37 -0.740 -10.247 -17.811 1.00 45.10 C ATOM 553 CG PRO A 37 -0.337 -9.073 -18.636 1.00 23.44 C ATOM 554 CD PRO A 37 0.003 -7.980 -17.661 1.00 44.22 C ATOM 0 HA PRO A 37 -0.381 -10.515 -15.648 1.00 2.21 H new ATOM 0 HB2 PRO A 37 -0.558 -11.183 -18.339 1.00 45.10 H new ATOM 0 HB3 PRO A 37 -1.803 -10.217 -17.573 1.00 45.10 H new ATOM 0 HG2 PRO A 37 0.519 -9.314 -19.266 1.00 23.44 H new ATOM 0 HG3 PRO A 37 -1.145 -8.766 -19.300 1.00 23.44 H new ATOM 0 HD2 PRO A 37 0.800 -7.339 -18.038 1.00 44.22 H new ATOM 0 HD3 PRO A 37 -0.855 -7.338 -17.462 1.00 44.22 H new ATOM 562 N LEU A 38 1.192 -12.315 -16.671 1.00 65.10 N ATOM 563 CA LEU A 38 2.312 -13.242 -16.795 1.00 4.32 C ATOM 564 C LEU A 38 1.975 -14.378 -17.755 1.00 24.01 C ATOM 565 O LEU A 38 0.813 -14.755 -17.902 1.00 71.41 O ATOM 566 CB LEU A 38 2.683 -13.810 -15.424 1.00 25.11 C ATOM 567 CG LEU A 38 3.351 -12.837 -14.452 1.00 44.41 C ATOM 568 CD1 LEU A 38 3.687 -13.535 -13.143 1.00 53.24 C ATOM 569 CD2 LEU A 38 4.604 -12.236 -15.075 1.00 35.53 C ATOM 0 H LEU A 38 0.281 -12.764 -16.577 1.00 65.10 H new ATOM 0 HA LEU A 38 3.164 -12.693 -17.197 1.00 4.32 H new ATOM 0 HB2 LEU A 38 1.777 -14.195 -14.956 1.00 25.11 H new ATOM 0 HB3 LEU A 38 3.351 -14.659 -15.573 1.00 25.11 H new ATOM 0 HG LEU A 38 2.651 -12.029 -14.240 1.00 44.41 H new ATOM 0 HD11 LEU A 38 4.162 -12.826 -12.464 1.00 53.24 H new ATOM 0 HD12 LEU A 38 2.772 -13.916 -12.689 1.00 53.24 H new ATOM 0 HD13 LEU A 38 4.368 -14.364 -13.337 1.00 53.24 H new ATOM 0 HD21 LEU A 38 5.066 -11.546 -14.369 1.00 35.53 H new ATOM 0 HD22 LEU A 38 5.308 -13.032 -15.318 1.00 35.53 H new ATOM 0 HD23 LEU A 38 4.336 -11.699 -15.985 1.00 35.53 H new ATOM 581 N ASP A 39 3.000 -14.920 -18.404 1.00 32.41 N ATOM 582 CA ASP A 39 2.813 -16.017 -19.348 1.00 0.55 C ATOM 583 C ASP A 39 4.109 -16.799 -19.535 1.00 1.10 C ATOM 584 O ASP A 39 5.185 -16.216 -19.667 1.00 45.51 O ATOM 585 CB ASP A 39 2.327 -15.480 -20.695 1.00 32.51 C ATOM 586 CG ASP A 39 1.744 -16.569 -21.575 1.00 0.12 C ATOM 587 OD1 ASP A 39 0.594 -16.985 -21.321 1.00 60.11 O ATOM 588 OD2 ASP A 39 2.437 -17.004 -22.518 1.00 5.24 O ATOM 0 H ASP A 39 3.968 -14.618 -18.294 1.00 32.41 H new ATOM 0 HA ASP A 39 2.059 -16.691 -18.941 1.00 0.55 H new ATOM 0 HB2 ASP A 39 1.573 -14.711 -20.526 1.00 32.51 H new ATOM 0 HB3 ASP A 39 3.158 -15.003 -21.214 1.00 32.51 H new ATOM 593 N CYS A 40 3.999 -18.123 -19.545 1.00 32.15 N ATOM 594 CA CYS A 40 5.161 -18.987 -19.714 1.00 41.42 C ATOM 595 C CYS A 40 5.635 -18.982 -21.165 1.00 4.44 C ATOM 596 O CYS A 40 4.950 -19.486 -22.054 1.00 63.52 O ATOM 597 CB CYS A 40 4.829 -20.415 -19.280 1.00 32.43 C ATOM 598 SG CYS A 40 4.951 -20.694 -17.484 1.00 0.25 S ATOM 0 H CYS A 40 3.116 -18.622 -19.438 1.00 32.15 H new ATOM 0 HA CYS A 40 5.964 -18.601 -19.086 1.00 41.42 H new ATOM 0 HB2 CYS A 40 3.817 -20.657 -19.606 1.00 32.43 H new ATOM 0 HB3 CYS A 40 5.502 -21.104 -19.790 1.00 32.43 H new ATOM 603 N ARG A 41 6.812 -18.408 -21.395 1.00 11.05 N ATOM 604 CA ARG A 41 7.378 -18.336 -22.736 1.00 73.23 C ATOM 605 C ARG A 41 8.754 -18.993 -22.782 1.00 21.22 C ATOM 606 O ARG A 41 9.531 -18.897 -21.832 1.00 25.34 O ATOM 607 CB ARG A 41 7.481 -16.880 -23.192 1.00 52.51 C ATOM 608 CG ARG A 41 6.159 -16.293 -23.660 1.00 0.31 C ATOM 609 CD ARG A 41 5.731 -16.879 -24.996 1.00 41.12 C ATOM 610 NE ARG A 41 4.296 -16.734 -25.223 1.00 34.21 N ATOM 611 CZ ARG A 41 3.720 -15.592 -25.581 1.00 14.05 C ATOM 612 NH1 ARG A 41 4.453 -14.501 -25.752 1.00 1.13 N ATOM 613 NH2 ARG A 41 2.407 -15.540 -25.768 1.00 40.32 N ATOM 0 H ARG A 41 7.392 -17.986 -20.669 1.00 11.05 H new ATOM 0 HA ARG A 41 6.714 -18.875 -23.412 1.00 73.23 H new ATOM 0 HB2 ARG A 41 7.866 -16.277 -22.370 1.00 52.51 H new ATOM 0 HB3 ARG A 41 8.206 -16.813 -24.003 1.00 52.51 H new ATOM 0 HG2 ARG A 41 5.389 -16.487 -22.913 1.00 0.31 H new ATOM 0 HG3 ARG A 41 6.252 -15.211 -23.749 1.00 0.31 H new ATOM 0 HD2 ARG A 41 6.277 -16.385 -25.800 1.00 41.12 H new ATOM 0 HD3 ARG A 41 5.999 -17.935 -25.031 1.00 41.12 H new ATOM 0 HE ARG A 41 3.703 -17.555 -25.100 1.00 34.21 H new ATOM 0 HH11 ARG A 41 5.462 -14.537 -25.609 1.00 1.13 H new ATOM 0 HH12 ARG A 41 4.008 -13.625 -26.027 1.00 1.13 H new ATOM 0 HH21 ARG A 41 1.840 -16.377 -25.637 1.00 40.32 H new ATOM 0 HH22 ARG A 41 1.965 -14.663 -26.043 1.00 40.32 H new ATOM 627 N CYS A 42 9.049 -19.661 -23.892 1.00 73.21 N ATOM 628 CA CYS A 42 10.330 -20.335 -24.062 1.00 60.53 C ATOM 629 C CYS A 42 11.298 -19.470 -24.864 1.00 51.00 C ATOM 630 O CYS A 42 11.215 -19.400 -26.091 1.00 65.31 O ATOM 631 CB CYS A 42 10.133 -21.682 -24.762 1.00 53.41 C ATOM 632 SG CYS A 42 8.751 -22.668 -24.101 1.00 2.11 S ATOM 0 H CYS A 42 8.417 -19.750 -24.688 1.00 73.21 H new ATOM 0 HA CYS A 42 10.756 -20.505 -23.073 1.00 60.53 H new ATOM 0 HB2 CYS A 42 9.964 -21.506 -25.824 1.00 53.41 H new ATOM 0 HB3 CYS A 42 11.052 -22.262 -24.677 1.00 53.41 H new ATOM 637 N LEU A 43 12.215 -18.812 -24.163 1.00 35.33 N ATOM 638 CA LEU A 43 13.199 -17.951 -24.808 1.00 65.32 C ATOM 639 C LEU A 43 14.536 -18.009 -24.076 1.00 3.21 C ATOM 640 O LEU A 43 14.616 -17.720 -22.882 1.00 14.42 O ATOM 641 CB LEU A 43 12.692 -16.509 -24.855 1.00 3.11 C ATOM 642 CG LEU A 43 12.198 -15.928 -23.530 1.00 2.24 C ATOM 643 CD1 LEU A 43 13.302 -15.132 -22.851 1.00 42.32 C ATOM 644 CD2 LEU A 43 10.971 -15.057 -23.754 1.00 14.13 C ATOM 0 H LEU A 43 12.297 -18.859 -23.147 1.00 35.33 H new ATOM 0 HA LEU A 43 13.347 -18.310 -25.826 1.00 65.32 H new ATOM 0 HB2 LEU A 43 13.495 -15.875 -25.230 1.00 3.11 H new ATOM 0 HB3 LEU A 43 11.879 -16.454 -25.578 1.00 3.11 H new ATOM 0 HG LEU A 43 11.918 -16.754 -22.875 1.00 2.24 H new ATOM 0 HD11 LEU A 43 12.932 -14.726 -21.910 1.00 42.32 H new ATOM 0 HD12 LEU A 43 14.153 -15.784 -22.655 1.00 42.32 H new ATOM 0 HD13 LEU A 43 13.613 -14.314 -23.501 1.00 42.32 H new ATOM 0 HD21 LEU A 43 10.633 -14.652 -22.800 1.00 14.13 H new ATOM 0 HD22 LEU A 43 11.224 -14.238 -24.427 1.00 14.13 H new ATOM 0 HD23 LEU A 43 10.175 -15.656 -24.196 1.00 14.13 H new ATOM 656 N LYS A 44 15.586 -18.382 -24.800 1.00 31.21 N ATOM 657 CA LYS A 44 16.921 -18.475 -24.221 1.00 42.45 C ATOM 658 C LYS A 44 17.988 -18.143 -25.260 1.00 1.11 C ATOM 659 O LYS A 44 17.803 -18.383 -26.453 1.00 34.32 O ATOM 660 CB LYS A 44 17.160 -19.878 -23.660 1.00 0.14 C ATOM 661 CG LYS A 44 16.452 -20.134 -22.341 1.00 14.34 C ATOM 662 CD LYS A 44 17.079 -19.340 -21.207 1.00 43.54 C ATOM 663 CE LYS A 44 16.291 -19.493 -19.916 1.00 21.23 C ATOM 664 NZ LYS A 44 17.060 -19.009 -18.736 1.00 12.12 N ATOM 0 H LYS A 44 15.538 -18.625 -25.789 1.00 31.21 H new ATOM 0 HA LYS A 44 16.989 -17.750 -23.410 1.00 42.45 H new ATOM 0 HB2 LYS A 44 16.826 -20.614 -24.391 1.00 0.14 H new ATOM 0 HB3 LYS A 44 18.231 -20.028 -23.523 1.00 0.14 H new ATOM 0 HG2 LYS A 44 15.399 -19.867 -22.434 1.00 14.34 H new ATOM 0 HG3 LYS A 44 16.491 -21.198 -22.107 1.00 14.34 H new ATOM 0 HD2 LYS A 44 18.104 -19.675 -21.050 1.00 43.54 H new ATOM 0 HD3 LYS A 44 17.127 -18.286 -21.482 1.00 43.54 H new ATOM 0 HE2 LYS A 44 15.356 -18.938 -19.993 1.00 21.23 H new ATOM 0 HE3 LYS A 44 16.028 -20.541 -19.773 1.00 21.23 H new ATOM 0 HZ1 LYS A 44 16.488 -19.130 -17.876 1.00 12.12 H new ATOM 0 HZ2 LYS A 44 17.940 -19.556 -18.647 1.00 12.12 H new ATOM 0 HZ3 LYS A 44 17.289 -18.002 -18.860 1.00 12.12 H new ATOM 678 N SER A 45 19.106 -17.591 -24.798 1.00 54.01 N ATOM 679 CA SER A 45 20.201 -17.224 -25.688 1.00 24.43 C ATOM 680 C SER A 45 21.491 -17.932 -25.282 1.00 34.22 C ATOM 681 O SER A 45 22.050 -17.666 -24.219 1.00 42.21 O ATOM 682 CB SER A 45 20.412 -15.709 -25.674 1.00 61.23 C ATOM 683 OG SER A 45 20.176 -15.173 -24.384 1.00 54.22 O ATOM 0 H SER A 45 19.277 -17.388 -23.813 1.00 54.01 H new ATOM 0 HA SER A 45 19.936 -17.537 -26.698 1.00 24.43 H new ATOM 0 HB2 SER A 45 21.430 -15.478 -25.987 1.00 61.23 H new ATOM 0 HB3 SER A 45 19.743 -15.239 -26.395 1.00 61.23 H new ATOM 0 HG SER A 45 20.319 -14.204 -24.401 1.00 54.22 H new ATOM 689 N GLY A 46 21.956 -18.837 -26.138 1.00 5.13 N ATOM 690 CA GLY A 46 23.176 -19.570 -25.852 1.00 11.23 C ATOM 691 C GLY A 46 22.937 -21.060 -25.710 1.00 0.13 C ATOM 692 O GLY A 46 23.718 -21.871 -26.208 1.00 33.44 O ATOM 0 H GLY A 46 21.510 -19.076 -27.024 1.00 5.13 H new ATOM 0 HA2 GLY A 46 23.897 -19.395 -26.651 1.00 11.23 H new ATOM 0 HA3 GLY A 46 23.619 -19.187 -24.933 1.00 11.23 H new ATOM 696 N PHE A 47 21.856 -21.422 -25.027 1.00 51.20 N ATOM 697 CA PHE A 47 21.518 -22.825 -24.818 1.00 54.14 C ATOM 698 C PHE A 47 20.531 -23.310 -25.877 1.00 11.44 C ATOM 699 O PHE A 47 19.671 -22.555 -26.331 1.00 73.34 O ATOM 700 CB PHE A 47 20.925 -23.026 -23.422 1.00 62.51 C ATOM 701 CG PHE A 47 21.881 -22.695 -22.312 1.00 21.31 C ATOM 702 CD1 PHE A 47 23.025 -23.452 -22.116 1.00 61.21 C ATOM 703 CD2 PHE A 47 21.636 -21.627 -21.464 1.00 41.15 C ATOM 704 CE1 PHE A 47 23.906 -23.150 -21.095 1.00 32.03 C ATOM 705 CE2 PHE A 47 22.513 -21.320 -20.442 1.00 5.34 C ATOM 706 CZ PHE A 47 23.650 -22.082 -20.257 1.00 44.23 C ATOM 0 H PHE A 47 21.199 -20.763 -24.609 1.00 51.20 H new ATOM 0 HA PHE A 47 22.433 -23.410 -24.904 1.00 54.14 H new ATOM 0 HB2 PHE A 47 20.035 -22.405 -23.321 1.00 62.51 H new ATOM 0 HB3 PHE A 47 20.604 -24.063 -23.318 1.00 62.51 H new ATOM 0 HD1 PHE A 47 23.230 -24.288 -22.769 1.00 61.21 H new ATOM 0 HD2 PHE A 47 20.749 -21.027 -21.604 1.00 41.15 H new ATOM 0 HE1 PHE A 47 24.794 -23.748 -20.952 1.00 32.03 H new ATOM 0 HE2 PHE A 47 22.310 -20.485 -19.788 1.00 5.34 H new ATOM 0 HZ PHE A 47 24.337 -21.843 -19.459 1.00 44.23 H new ATOM 716 N PHE A 48 20.662 -24.574 -26.265 1.00 2.25 N ATOM 717 CA PHE A 48 19.784 -25.160 -27.270 1.00 70.13 C ATOM 718 C PHE A 48 18.369 -25.330 -26.724 1.00 63.23 C ATOM 719 O PHE A 48 17.407 -24.812 -27.291 1.00 61.42 O ATOM 720 CB PHE A 48 20.331 -26.513 -27.730 1.00 5.11 C ATOM 721 CG PHE A 48 21.321 -26.408 -28.855 1.00 71.21 C ATOM 722 CD1 PHE A 48 22.533 -25.762 -28.672 1.00 32.23 C ATOM 723 CD2 PHE A 48 21.039 -26.955 -30.096 1.00 72.44 C ATOM 724 CE1 PHE A 48 23.446 -25.664 -29.705 1.00 32.31 C ATOM 725 CE2 PHE A 48 21.948 -26.861 -31.133 1.00 71.11 C ATOM 726 CZ PHE A 48 23.152 -26.214 -30.937 1.00 43.35 C ATOM 0 H PHE A 48 21.368 -25.212 -25.898 1.00 2.25 H new ATOM 0 HA PHE A 48 19.747 -24.482 -28.123 1.00 70.13 H new ATOM 0 HB2 PHE A 48 20.806 -27.011 -26.884 1.00 5.11 H new ATOM 0 HB3 PHE A 48 19.500 -27.144 -28.046 1.00 5.11 H new ATOM 0 HD1 PHE A 48 22.767 -25.330 -27.710 1.00 32.23 H new ATOM 0 HD2 PHE A 48 20.098 -27.461 -30.255 1.00 72.44 H new ATOM 0 HE1 PHE A 48 24.387 -25.158 -29.549 1.00 32.31 H new ATOM 0 HE2 PHE A 48 21.717 -27.293 -32.095 1.00 71.11 H new ATOM 0 HZ PHE A 48 23.863 -26.138 -31.746 1.00 43.35 H new ATOM 736 N SER A 49 18.252 -26.060 -25.620 1.00 35.22 N ATOM 737 CA SER A 49 16.955 -26.303 -24.999 1.00 33.03 C ATOM 738 C SER A 49 16.553 -25.133 -24.105 1.00 73.43 C ATOM 739 O SER A 49 17.000 -25.028 -22.963 1.00 73.03 O ATOM 740 CB SER A 49 16.991 -27.595 -24.181 1.00 24.34 C ATOM 741 OG SER A 49 17.780 -28.583 -24.822 1.00 3.43 O ATOM 0 H SER A 49 19.039 -26.493 -25.137 1.00 35.22 H new ATOM 0 HA SER A 49 16.214 -26.404 -25.792 1.00 33.03 H new ATOM 0 HB2 SER A 49 17.394 -27.390 -23.189 1.00 24.34 H new ATOM 0 HB3 SER A 49 15.977 -27.969 -24.042 1.00 24.34 H new ATOM 0 HG SER A 49 17.788 -29.398 -24.278 1.00 3.43 H new ATOM 747 N SER A 50 15.706 -24.257 -24.635 1.00 15.43 N ATOM 748 CA SER A 50 15.245 -23.092 -23.888 1.00 2.21 C ATOM 749 C SER A 50 14.203 -23.491 -22.848 1.00 11.44 C ATOM 750 O SER A 50 13.286 -24.261 -23.133 1.00 53.45 O ATOM 751 CB SER A 50 14.658 -22.048 -24.840 1.00 63.34 C ATOM 752 OG SER A 50 13.296 -22.321 -25.118 1.00 54.43 O ATOM 0 H SER A 50 15.325 -24.331 -25.578 1.00 15.43 H new ATOM 0 HA SER A 50 16.102 -22.661 -23.371 1.00 2.21 H new ATOM 0 HB2 SER A 50 14.751 -21.056 -24.399 1.00 63.34 H new ATOM 0 HB3 SER A 50 15.227 -22.038 -25.769 1.00 63.34 H new ATOM 0 HG SER A 50 12.943 -21.639 -25.727 1.00 54.43 H new ATOM 758 N LYS A 51 14.351 -22.961 -21.638 1.00 53.21 N ATOM 759 CA LYS A 51 13.423 -23.259 -20.553 1.00 42.42 C ATOM 760 C LYS A 51 12.242 -22.293 -20.567 1.00 21.52 C ATOM 761 O LYS A 51 12.419 -21.082 -20.694 1.00 40.53 O ATOM 762 CB LYS A 51 14.142 -23.182 -19.205 1.00 23.45 C ATOM 763 CG LYS A 51 13.203 -23.212 -18.012 1.00 35.14 C ATOM 764 CD LYS A 51 12.419 -24.513 -17.951 1.00 50.43 C ATOM 765 CE LYS A 51 12.891 -25.395 -16.806 1.00 21.10 C ATOM 766 NZ LYS A 51 12.168 -25.094 -15.539 1.00 60.14 N ATOM 0 H LYS A 51 15.105 -22.323 -21.384 1.00 53.21 H new ATOM 0 HA LYS A 51 13.044 -24.271 -20.699 1.00 42.42 H new ATOM 0 HB2 LYS A 51 14.841 -24.015 -19.128 1.00 23.45 H new ATOM 0 HB3 LYS A 51 14.732 -22.266 -19.169 1.00 23.45 H new ATOM 0 HG2 LYS A 51 13.777 -23.088 -17.093 1.00 35.14 H new ATOM 0 HG3 LYS A 51 12.511 -22.372 -18.071 1.00 35.14 H new ATOM 0 HD2 LYS A 51 11.358 -24.294 -17.830 1.00 50.43 H new ATOM 0 HD3 LYS A 51 12.528 -25.049 -18.894 1.00 50.43 H new ATOM 0 HE2 LYS A 51 12.742 -26.442 -17.069 1.00 21.10 H new ATOM 0 HE3 LYS A 51 13.961 -25.253 -16.656 1.00 21.10 H new ATOM 0 HZ1 LYS A 51 12.806 -25.242 -14.731 1.00 60.14 H new ATOM 0 HZ2 LYS A 51 11.847 -24.105 -15.549 1.00 60.14 H new ATOM 0 HZ3 LYS A 51 11.346 -25.724 -15.450 1.00 60.14 H new ATOM 780 N CYS A 52 11.037 -22.838 -20.433 1.00 44.02 N ATOM 781 CA CYS A 52 9.827 -22.026 -20.429 1.00 12.31 C ATOM 782 C CYS A 52 9.513 -21.524 -19.022 1.00 61.41 C ATOM 783 O CYS A 52 9.392 -22.312 -18.083 1.00 40.53 O ATOM 784 CB CYS A 52 8.645 -22.832 -20.970 1.00 74.12 C ATOM 785 SG CYS A 52 9.019 -23.777 -22.482 1.00 21.11 S ATOM 0 H CYS A 52 10.873 -23.839 -20.326 1.00 44.02 H new ATOM 0 HA CYS A 52 9.996 -21.164 -21.074 1.00 12.31 H new ATOM 0 HB2 CYS A 52 8.306 -23.522 -20.198 1.00 74.12 H new ATOM 0 HB3 CYS A 52 7.818 -22.152 -21.175 1.00 74.12 H new ATOM 790 N VAL A 53 9.382 -20.209 -18.884 1.00 44.22 N ATOM 791 CA VAL A 53 9.082 -19.602 -17.593 1.00 55.42 C ATOM 792 C VAL A 53 8.188 -18.377 -17.757 1.00 21.14 C ATOM 793 O VAL A 53 8.124 -17.781 -18.832 1.00 50.31 O ATOM 794 CB VAL A 53 10.368 -19.190 -16.853 1.00 41.33 C ATOM 795 CG1 VAL A 53 11.208 -20.413 -16.520 1.00 35.53 C ATOM 796 CG2 VAL A 53 11.166 -18.196 -17.685 1.00 34.42 C ATOM 0 H VAL A 53 9.479 -19.543 -19.651 1.00 44.22 H new ATOM 0 HA VAL A 53 8.559 -20.355 -17.003 1.00 55.42 H new ATOM 0 HB VAL A 53 10.088 -18.705 -15.918 1.00 41.33 H new ATOM 0 HG11 VAL A 53 12.113 -20.102 -15.997 1.00 35.53 H new ATOM 0 HG12 VAL A 53 10.634 -21.086 -15.883 1.00 35.53 H new ATOM 0 HG13 VAL A 53 11.480 -20.929 -17.441 1.00 35.53 H new ATOM 0 HG21 VAL A 53 12.072 -17.916 -17.147 1.00 34.42 H new ATOM 0 HG22 VAL A 53 11.436 -18.653 -18.637 1.00 34.42 H new ATOM 0 HG23 VAL A 53 10.562 -17.307 -17.867 1.00 34.42 H new ATOM 806 N CYS A 54 7.500 -18.006 -16.682 1.00 74.43 N ATOM 807 CA CYS A 54 6.609 -16.852 -16.705 1.00 32.50 C ATOM 808 C CYS A 54 7.385 -15.572 -17.001 1.00 74.22 C ATOM 809 O CYS A 54 8.415 -15.302 -16.385 1.00 24.13 O ATOM 810 CB CYS A 54 5.877 -16.721 -15.368 1.00 10.51 C ATOM 811 SG CYS A 54 4.704 -18.071 -15.026 1.00 33.50 S ATOM 0 H CYS A 54 7.543 -18.488 -15.784 1.00 74.43 H new ATOM 0 HA CYS A 54 5.878 -17.004 -17.499 1.00 32.50 H new ATOM 0 HB2 CYS A 54 6.613 -16.682 -14.565 1.00 10.51 H new ATOM 0 HB3 CYS A 54 5.338 -15.774 -15.352 1.00 10.51 H new ATOM 816 N ARG A 55 6.881 -14.788 -17.949 1.00 3.23 N ATOM 817 CA ARG A 55 7.527 -13.537 -18.328 1.00 11.24 C ATOM 818 C ARG A 55 6.489 -12.462 -18.640 1.00 64.52 C ATOM 819 O ARG A 55 5.381 -12.766 -19.081 1.00 14.31 O ATOM 820 CB ARG A 55 8.434 -13.753 -19.540 1.00 71.24 C ATOM 821 CG ARG A 55 9.532 -14.778 -19.305 1.00 14.20 C ATOM 822 CD ARG A 55 10.567 -14.267 -18.316 1.00 24.14 C ATOM 823 NE ARG A 55 11.652 -13.550 -18.980 1.00 63.13 N ATOM 824 CZ ARG A 55 12.678 -14.153 -19.571 1.00 50.11 C ATOM 825 NH1 ARG A 55 12.758 -15.476 -19.580 1.00 72.32 N ATOM 826 NH2 ARG A 55 13.626 -13.432 -20.155 1.00 44.40 N ATOM 0 H ARG A 55 6.028 -14.997 -18.468 1.00 3.23 H new ATOM 0 HA ARG A 55 8.132 -13.200 -17.486 1.00 11.24 H new ATOM 0 HB2 ARG A 55 7.826 -14.073 -20.386 1.00 71.24 H new ATOM 0 HB3 ARG A 55 8.890 -12.802 -19.816 1.00 71.24 H new ATOM 0 HG2 ARG A 55 9.094 -15.703 -18.930 1.00 14.20 H new ATOM 0 HG3 ARG A 55 10.018 -15.016 -20.251 1.00 14.20 H new ATOM 0 HD2 ARG A 55 10.084 -13.607 -17.595 1.00 24.14 H new ATOM 0 HD3 ARG A 55 10.977 -15.106 -17.755 1.00 24.14 H new ATOM 0 HE ARG A 55 11.621 -12.531 -18.991 1.00 63.13 H new ATOM 0 HH11 ARG A 55 12.031 -16.034 -19.133 1.00 72.32 H new ATOM 0 HH12 ARG A 55 13.547 -15.936 -20.034 1.00 72.32 H new ATOM 0 HH21 ARG A 55 13.568 -12.414 -20.151 1.00 44.40 H new ATOM 0 HH22 ARG A 55 14.413 -13.896 -20.608 1.00 44.40 H new ATOM 840 N ASP A 56 6.857 -11.207 -18.408 1.00 61.24 N ATOM 841 CA ASP A 56 5.959 -10.087 -18.666 1.00 30.44 C ATOM 842 C ASP A 56 5.710 -9.923 -20.162 1.00 1.14 C ATOM 843 O ASP A 56 6.649 -9.785 -20.946 1.00 53.52 O ATOM 844 CB ASP A 56 6.541 -8.796 -18.088 1.00 34.33 C ATOM 845 CG ASP A 56 7.792 -8.348 -18.817 1.00 0.04 C ATOM 846 OD1 ASP A 56 8.893 -8.794 -18.433 1.00 4.53 O ATOM 847 OD2 ASP A 56 7.670 -7.551 -19.770 1.00 41.24 O ATOM 0 H ASP A 56 7.771 -10.939 -18.042 1.00 61.24 H new ATOM 0 HA ASP A 56 5.007 -10.297 -18.179 1.00 30.44 H new ATOM 0 HB2 ASP A 56 5.791 -8.007 -18.141 1.00 34.33 H new ATOM 0 HB3 ASP A 56 6.772 -8.945 -17.033 1.00 34.33 H new ATOM 852 N VAL A 57 4.439 -9.940 -20.550 1.00 61.15 N ATOM 853 CA VAL A 57 4.066 -9.793 -21.952 1.00 64.03 C ATOM 854 C VAL A 57 3.475 -8.414 -22.222 1.00 35.22 C ATOM 855 O VAL A 57 2.950 -7.765 -21.317 1.00 51.23 O ATOM 856 CB VAL A 57 3.049 -10.868 -22.379 1.00 24.45 C ATOM 857 CG1 VAL A 57 3.679 -12.252 -22.322 1.00 45.32 C ATOM 858 CG2 VAL A 57 1.807 -10.803 -21.503 1.00 22.22 C ATOM 0 H VAL A 57 3.650 -10.054 -19.913 1.00 61.15 H new ATOM 0 HA VAL A 57 4.978 -9.915 -22.536 1.00 64.03 H new ATOM 0 HB VAL A 57 2.751 -10.673 -23.409 1.00 24.45 H new ATOM 0 HG11 VAL A 57 2.946 -12.998 -22.627 1.00 45.32 H new ATOM 0 HG12 VAL A 57 4.536 -12.290 -22.994 1.00 45.32 H new ATOM 0 HG13 VAL A 57 4.007 -12.461 -21.304 1.00 45.32 H new ATOM 0 HG21 VAL A 57 1.099 -11.569 -21.818 1.00 22.22 H new ATOM 0 HG22 VAL A 57 2.086 -10.973 -20.463 1.00 22.22 H new ATOM 0 HG23 VAL A 57 1.345 -9.820 -21.599 1.00 22.22 H new TER 868 VAL A 57