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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot -49:sc= 0.659 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+ -164:sc=-0.00481 (180deg=-0.101) USER MOD Single : A 16 TYR OH : rot 180:sc= 0.172 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -4.39! C(o=-4.4!,f=-15!) 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 USER MOD Single : A 51 LYS NZ :NH3+ -159:sc=-0.00549 (180deg=-0.815) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 1.159 -1.506 -0.836 1.00 64.55 N ATOM 2 CA SER A 1 2.600 -1.300 -0.745 1.00 61.25 C ATOM 3 C SER A 1 3.355 -2.410 -1.472 1.00 14.42 C ATOM 4 O SER A 1 4.253 -3.035 -0.910 1.00 3.21 O ATOM 5 CB SER A 1 3.037 -1.245 0.720 1.00 62.24 C ATOM 6 OG SER A 1 4.437 -1.050 0.827 1.00 33.43 O ATOM 0 H1 SER A 1 0.666 -0.739 -0.335 1.00 64.55 H new ATOM 0 H2 SER A 1 0.871 -1.507 -1.835 1.00 64.55 H new ATOM 0 H3 SER A 1 0.911 -2.418 -0.403 1.00 64.55 H new ATOM 0 HA SER A 1 2.837 -0.350 -1.223 1.00 61.25 H new ATOM 0 HB2 SER A 1 2.514 -0.435 1.229 1.00 62.24 H new ATOM 0 HB3 SER A 1 2.756 -2.171 1.222 1.00 62.24 H new ATOM 0 HG SER A 1 4.902 -1.688 0.246 1.00 33.43 H new ATOM 12 N ALA A 2 2.982 -2.648 -2.725 1.00 13.20 N ATOM 13 CA ALA A 2 3.624 -3.680 -3.530 1.00 15.31 C ATOM 14 C ALA A 2 5.117 -3.410 -3.679 1.00 20.23 C ATOM 15 O ALA A 2 5.561 -2.264 -3.617 1.00 10.51 O ATOM 16 CB ALA A 2 2.963 -3.769 -4.897 1.00 74.55 C ATOM 0 H ALA A 2 2.239 -2.140 -3.205 1.00 13.20 H new ATOM 0 HA ALA A 2 3.504 -4.634 -3.017 1.00 15.31 H new ATOM 0 HB1 ALA A 2 3.452 -4.543 -5.488 1.00 74.55 H new ATOM 0 HB2 ALA A 2 1.908 -4.017 -4.776 1.00 74.55 H new ATOM 0 HB3 ALA A 2 3.054 -2.811 -5.408 1.00 74.55 H new ATOM 22 N LYS A 3 5.889 -4.474 -3.874 1.00 52.04 N ATOM 23 CA LYS A 3 7.333 -4.353 -4.033 1.00 22.23 C ATOM 24 C LYS A 3 7.863 -5.399 -5.009 1.00 11.13 C ATOM 25 O LYS A 3 7.094 -6.161 -5.595 1.00 15.14 O ATOM 26 CB LYS A 3 8.030 -4.505 -2.679 1.00 12.04 C ATOM 27 CG LYS A 3 7.731 -5.823 -1.985 1.00 63.03 C ATOM 28 CD LYS A 3 8.705 -6.089 -0.849 1.00 40.34 C ATOM 29 CE LYS A 3 8.555 -5.064 0.265 1.00 72.14 C ATOM 30 NZ LYS A 3 9.423 -5.383 1.432 1.00 14.21 N ATOM 0 H LYS A 3 5.538 -5.430 -3.926 1.00 52.04 H new ATOM 0 HA LYS A 3 7.547 -3.363 -4.437 1.00 22.23 H new ATOM 0 HB2 LYS A 3 9.107 -4.416 -2.822 1.00 12.04 H new ATOM 0 HB3 LYS A 3 7.726 -3.685 -2.029 1.00 12.04 H new ATOM 0 HG2 LYS A 3 6.713 -5.808 -1.596 1.00 63.03 H new ATOM 0 HG3 LYS A 3 7.784 -6.636 -2.709 1.00 63.03 H new ATOM 0 HD2 LYS A 3 8.536 -7.089 -0.450 1.00 40.34 H new ATOM 0 HD3 LYS A 3 9.726 -6.067 -1.231 1.00 40.34 H new ATOM 0 HE2 LYS A 3 8.807 -4.074 -0.116 1.00 72.14 H new ATOM 0 HE3 LYS A 3 7.514 -5.026 0.586 1.00 72.14 H new ATOM 0 HZ1 LYS A 3 9.292 -4.662 2.170 1.00 14.21 H new ATOM 0 HZ2 LYS A 3 9.165 -6.317 1.811 1.00 14.21 H new ATOM 0 HZ3 LYS A 3 10.419 -5.394 1.131 1.00 14.21 H new ATOM 44 N ASP A 4 9.180 -5.430 -5.177 1.00 61.45 N ATOM 45 CA ASP A 4 9.813 -6.385 -6.081 1.00 13.14 C ATOM 46 C ASP A 4 9.596 -7.816 -5.597 1.00 45.44 C ATOM 47 O ASP A 4 10.065 -8.197 -4.526 1.00 22.30 O ATOM 48 CB ASP A 4 11.310 -6.094 -6.198 1.00 14.43 C ATOM 49 CG ASP A 4 11.995 -6.984 -7.215 1.00 72.43 C ATOM 50 OD1 ASP A 4 11.431 -7.174 -8.313 1.00 14.51 O ATOM 51 OD2 ASP A 4 13.095 -7.493 -6.914 1.00 20.13 O ATOM 0 H ASP A 4 9.830 -4.806 -4.700 1.00 61.45 H new ATOM 0 HA ASP A 4 9.353 -6.279 -7.063 1.00 13.14 H new ATOM 0 HB2 ASP A 4 11.453 -5.050 -6.478 1.00 14.43 H new ATOM 0 HB3 ASP A 4 11.781 -6.231 -5.224 1.00 14.43 H new ATOM 56 N GLY A 5 8.882 -8.603 -6.396 1.00 12.02 N ATOM 57 CA GLY A 5 8.615 -9.982 -6.032 1.00 33.21 C ATOM 58 C GLY A 5 7.202 -10.184 -5.520 1.00 41.25 C ATOM 59 O GLY A 5 6.912 -11.177 -4.854 1.00 72.51 O ATOM 0 H GLY A 5 8.484 -8.310 -7.288 1.00 12.02 H new ATOM 0 HA2 GLY A 5 8.779 -10.622 -6.899 1.00 33.21 H new ATOM 0 HA3 GLY A 5 9.324 -10.296 -5.266 1.00 33.21 H new ATOM 63 N ASP A 6 6.322 -9.239 -5.831 1.00 11.41 N ATOM 64 CA ASP A 6 4.932 -9.316 -5.398 1.00 34.45 C ATOM 65 C ASP A 6 4.021 -9.700 -6.560 1.00 12.23 C ATOM 66 O ASP A 6 4.198 -9.229 -7.683 1.00 45.50 O ATOM 67 CB ASP A 6 4.485 -7.980 -4.803 1.00 30.04 C ATOM 68 CG ASP A 6 4.919 -7.815 -3.359 1.00 75.12 C ATOM 69 OD1 ASP A 6 6.063 -8.196 -3.037 1.00 30.12 O ATOM 70 OD2 ASP A 6 4.113 -7.306 -2.552 1.00 10.31 O ATOM 0 H ASP A 6 6.547 -8.410 -6.382 1.00 11.41 H new ATOM 0 HA ASP A 6 4.859 -10.088 -4.632 1.00 34.45 H new ATOM 0 HB2 ASP A 6 4.896 -7.165 -5.398 1.00 30.04 H new ATOM 0 HB3 ASP A 6 3.399 -7.903 -4.864 1.00 30.04 H new ATOM 75 N VAL A 7 3.045 -10.559 -6.282 1.00 2.11 N ATOM 76 CA VAL A 7 2.106 -11.006 -7.304 1.00 2.12 C ATOM 77 C VAL A 7 0.671 -10.950 -6.793 1.00 52.14 C ATOM 78 O VAL A 7 0.428 -10.642 -5.627 1.00 45.10 O ATOM 79 CB VAL A 7 2.420 -12.442 -7.765 1.00 11.32 C ATOM 80 CG1 VAL A 7 3.806 -12.512 -8.386 1.00 65.23 C ATOM 81 CG2 VAL A 7 2.299 -13.413 -6.600 1.00 75.15 C ATOM 0 H VAL A 7 2.884 -10.959 -5.358 1.00 2.11 H new ATOM 0 HA VAL A 7 2.214 -10.329 -8.151 1.00 2.12 H new ATOM 0 HB VAL A 7 1.693 -12.729 -8.525 1.00 11.32 H new ATOM 0 HG11 VAL A 7 4.010 -13.534 -8.706 1.00 65.23 H new ATOM 0 HG12 VAL A 7 3.853 -11.846 -9.248 1.00 65.23 H new ATOM 0 HG13 VAL A 7 4.550 -12.206 -7.650 1.00 65.23 H new ATOM 0 HG21 VAL A 7 2.524 -14.423 -6.943 1.00 75.15 H new ATOM 0 HG22 VAL A 7 3.002 -13.131 -5.817 1.00 75.15 H new ATOM 0 HG23 VAL A 7 1.284 -13.382 -6.204 1.00 75.15 H new ATOM 91 N GLU A 8 -0.277 -11.250 -7.675 1.00 74.45 N ATOM 92 CA GLU A 8 -1.690 -11.234 -7.313 1.00 43.43 C ATOM 93 C GLU A 8 -2.325 -12.603 -7.536 1.00 62.20 C ATOM 94 O GLU A 8 -2.065 -13.264 -8.541 1.00 12.12 O ATOM 95 CB GLU A 8 -2.436 -10.175 -8.128 1.00 45.21 C ATOM 96 CG GLU A 8 -3.818 -9.853 -7.587 1.00 14.20 C ATOM 97 CD GLU A 8 -3.787 -8.805 -6.491 1.00 43.25 C ATOM 98 OE1 GLU A 8 -3.053 -9.003 -5.501 1.00 31.43 O ATOM 99 OE2 GLU A 8 -4.496 -7.786 -6.626 1.00 1.43 O ATOM 0 H GLU A 8 -0.093 -11.507 -8.645 1.00 74.45 H new ATOM 0 HA GLU A 8 -1.764 -10.987 -6.254 1.00 43.43 H new ATOM 0 HB2 GLU A 8 -1.842 -9.261 -8.151 1.00 45.21 H new ATOM 0 HB3 GLU A 8 -2.529 -10.520 -9.158 1.00 45.21 H new ATOM 0 HG2 GLU A 8 -4.450 -9.502 -8.402 1.00 14.20 H new ATOM 0 HG3 GLU A 8 -4.274 -10.764 -7.200 1.00 14.20 H new ATOM 106 N GLY A 9 -3.159 -13.023 -6.590 1.00 30.44 N ATOM 107 CA GLY A 9 -3.818 -14.312 -6.700 1.00 41.41 C ATOM 108 C GLY A 9 -3.725 -15.122 -5.422 1.00 41.14 C ATOM 109 O GLY A 9 -3.383 -14.606 -4.358 1.00 53.42 O ATOM 0 H GLY A 9 -3.390 -12.494 -5.749 1.00 30.44 H new ATOM 0 HA2 GLY A 9 -4.867 -14.160 -6.954 1.00 41.41 H new ATOM 0 HA3 GLY A 9 -3.370 -14.877 -7.518 1.00 41.41 H new ATOM 113 N PRO A 10 -4.036 -16.423 -5.518 1.00 63.24 N ATOM 114 CA PRO A 10 -3.994 -17.334 -4.370 1.00 51.33 C ATOM 115 C PRO A 10 -2.570 -17.608 -3.899 1.00 40.12 C ATOM 116 O PRO A 10 -1.658 -17.768 -4.710 1.00 11.12 O ATOM 117 CB PRO A 10 -4.635 -18.615 -4.910 1.00 42.22 C ATOM 118 CG PRO A 10 -4.406 -18.562 -6.381 1.00 51.33 C ATOM 119 CD PRO A 10 -4.451 -17.106 -6.755 1.00 51.12 C ATOM 0 HA PRO A 10 -4.505 -16.919 -3.501 1.00 51.33 H new ATOM 0 HB2 PRO A 10 -4.179 -19.502 -4.470 1.00 42.22 H new ATOM 0 HB3 PRO A 10 -5.699 -18.654 -4.676 1.00 42.22 H new ATOM 0 HG2 PRO A 10 -3.444 -19.002 -6.642 1.00 51.33 H new ATOM 0 HG3 PRO A 10 -5.170 -19.126 -6.916 1.00 51.33 H new ATOM 0 HD2 PRO A 10 -3.778 -16.883 -7.583 1.00 51.12 H new ATOM 0 HD3 PRO A 10 -5.450 -16.802 -7.066 1.00 51.12 H new ATOM 127 N ALA A 11 -2.387 -17.661 -2.584 1.00 23.40 N ATOM 128 CA ALA A 11 -1.074 -17.919 -2.006 1.00 22.14 C ATOM 129 C ALA A 11 -0.547 -19.286 -2.428 1.00 23.44 C ATOM 130 O ALA A 11 -1.192 -20.309 -2.200 1.00 11.43 O ATOM 131 CB ALA A 11 -1.137 -17.821 -0.489 1.00 1.15 C ATOM 0 H ALA A 11 -3.131 -17.529 -1.899 1.00 23.40 H new ATOM 0 HA ALA A 11 -0.385 -17.162 -2.380 1.00 22.14 H new ATOM 0 HB1 ALA A 11 -0.150 -18.016 -0.070 1.00 1.15 H new ATOM 0 HB2 ALA A 11 -1.462 -16.821 -0.202 1.00 1.15 H new ATOM 0 HB3 ALA A 11 -1.845 -18.556 -0.106 1.00 1.15 H new ATOM 137 N GLY A 12 0.631 -19.297 -3.045 1.00 52.01 N ATOM 138 CA GLY A 12 1.224 -20.544 -3.490 1.00 30.51 C ATOM 139 C GLY A 12 1.286 -20.651 -5.001 1.00 11.13 C ATOM 140 O GLY A 12 1.840 -21.609 -5.541 1.00 42.51 O ATOM 0 H GLY A 12 1.185 -18.464 -3.244 1.00 52.01 H new ATOM 0 HA2 GLY A 12 2.231 -20.630 -3.081 1.00 30.51 H new ATOM 0 HA3 GLY A 12 0.647 -21.379 -3.093 1.00 30.51 H new ATOM 144 N CYS A 13 0.714 -19.666 -5.686 1.00 21.05 N ATOM 145 CA CYS A 13 0.704 -19.653 -7.143 1.00 42.03 C ATOM 146 C CYS A 13 2.123 -19.548 -7.696 1.00 54.40 C ATOM 147 O CYS A 13 3.100 -19.665 -6.956 1.00 72.34 O ATOM 148 CB CYS A 13 -0.143 -18.488 -7.658 1.00 14.20 C ATOM 149 SG CYS A 13 0.623 -16.852 -7.425 1.00 52.54 S ATOM 0 H CYS A 13 0.251 -18.866 -5.254 1.00 21.05 H new ATOM 0 HA CYS A 13 0.267 -20.591 -7.487 1.00 42.03 H new ATOM 0 HB2 CYS A 13 -0.340 -18.637 -8.720 1.00 14.20 H new ATOM 0 HB3 CYS A 13 -1.107 -18.501 -7.150 1.00 14.20 H new ATOM 154 N LYS A 14 2.228 -19.325 -9.002 1.00 13.23 N ATOM 155 CA LYS A 14 3.525 -19.202 -9.655 1.00 42.44 C ATOM 156 C LYS A 14 3.948 -17.739 -9.754 1.00 21.32 C ATOM 157 O LYS A 14 3.129 -16.833 -9.600 1.00 33.43 O ATOM 158 CB LYS A 14 3.477 -19.825 -11.052 1.00 52.43 C ATOM 159 CG LYS A 14 4.299 -21.096 -11.180 1.00 53.53 C ATOM 160 CD LYS A 14 3.740 -22.211 -10.313 1.00 13.23 C ATOM 161 CE LYS A 14 2.674 -23.008 -11.048 1.00 74.13 C ATOM 162 NZ LYS A 14 1.769 -23.725 -10.107 1.00 65.43 N ATOM 0 H LYS A 14 1.429 -19.226 -9.629 1.00 13.23 H new ATOM 0 HA LYS A 14 4.260 -19.735 -9.051 1.00 42.44 H new ATOM 0 HB2 LYS A 14 2.440 -20.046 -11.307 1.00 52.43 H new ATOM 0 HB3 LYS A 14 3.836 -19.096 -11.778 1.00 52.43 H new ATOM 0 HG2 LYS A 14 4.315 -21.417 -12.222 1.00 53.53 H new ATOM 0 HG3 LYS A 14 5.331 -20.893 -10.893 1.00 53.53 H new ATOM 0 HD2 LYS A 14 4.548 -22.876 -10.009 1.00 13.23 H new ATOM 0 HD3 LYS A 14 3.316 -21.787 -9.403 1.00 13.23 H new ATOM 0 HE2 LYS A 14 2.087 -22.337 -11.676 1.00 74.13 H new ATOM 0 HE3 LYS A 14 3.152 -23.728 -11.712 1.00 74.13 H new ATOM 0 HZ1 LYS A 14 1.057 -24.256 -10.647 1.00 65.43 H new ATOM 0 HZ2 LYS A 14 2.325 -24.384 -9.525 1.00 65.43 H new ATOM 0 HZ3 LYS A 14 1.293 -23.036 -9.490 1.00 65.43 H new ATOM 176 N LYS A 15 5.232 -17.516 -10.013 1.00 0.33 N ATOM 177 CA LYS A 15 5.764 -16.164 -10.135 1.00 2.32 C ATOM 178 C LYS A 15 6.638 -16.033 -11.378 1.00 60.22 C ATOM 179 O LYS A 15 6.876 -17.012 -12.087 1.00 1.42 O ATOM 180 CB LYS A 15 6.574 -15.798 -8.889 1.00 12.32 C ATOM 181 CG LYS A 15 5.715 -15.464 -7.682 1.00 33.25 C ATOM 182 CD LYS A 15 5.469 -16.689 -6.816 1.00 42.13 C ATOM 183 CE LYS A 15 5.225 -16.306 -5.365 1.00 23.14 C ATOM 184 NZ LYS A 15 6.479 -15.877 -4.686 1.00 25.11 N ATOM 0 H LYS A 15 5.924 -18.254 -10.142 1.00 0.33 H new ATOM 0 HA LYS A 15 4.923 -15.477 -10.229 1.00 2.32 H new ATOM 0 HB2 LYS A 15 7.233 -16.629 -8.637 1.00 12.32 H new ATOM 0 HB3 LYS A 15 7.212 -14.944 -9.118 1.00 12.32 H new ATOM 0 HG2 LYS A 15 6.204 -14.691 -7.089 1.00 33.25 H new ATOM 0 HG3 LYS A 15 4.761 -15.055 -8.015 1.00 33.25 H new ATOM 0 HD2 LYS A 15 4.609 -17.239 -7.198 1.00 42.13 H new ATOM 0 HD3 LYS A 15 6.328 -17.358 -6.877 1.00 42.13 H new ATOM 0 HE2 LYS A 15 4.494 -15.499 -5.321 1.00 23.14 H new ATOM 0 HE3 LYS A 15 4.796 -17.155 -4.833 1.00 23.14 H new ATOM 0 HZ1 LYS A 15 6.336 -15.886 -3.656 1.00 25.11 H new ATOM 0 HZ2 LYS A 15 7.249 -16.530 -4.934 1.00 25.11 H new ATOM 0 HZ3 LYS A 15 6.728 -14.915 -4.993 1.00 25.11 H new ATOM 198 N TYR A 16 7.114 -14.820 -11.636 1.00 70.35 N ATOM 199 CA TYR A 16 7.961 -14.562 -12.795 1.00 72.30 C ATOM 200 C TYR A 16 9.203 -15.448 -12.770 1.00 51.10 C ATOM 201 O TYR A 16 9.752 -15.736 -11.707 1.00 4.14 O ATOM 202 CB TYR A 16 8.372 -13.089 -12.835 1.00 32.43 C ATOM 203 CG TYR A 16 9.272 -12.743 -13.999 1.00 24.22 C ATOM 204 CD1 TYR A 16 8.743 -12.463 -15.253 1.00 31.43 C ATOM 205 CD2 TYR A 16 10.652 -12.697 -13.845 1.00 45.05 C ATOM 206 CE1 TYR A 16 9.562 -12.147 -16.320 1.00 32.35 C ATOM 207 CE2 TYR A 16 11.479 -12.380 -14.906 1.00 72.32 C ATOM 208 CZ TYR A 16 10.929 -12.107 -16.141 1.00 51.51 C ATOM 209 OH TYR A 16 11.749 -11.792 -17.201 1.00 32.24 O ATOM 0 H TYR A 16 6.928 -14.000 -11.059 1.00 70.35 H new ATOM 0 HA TYR A 16 7.388 -14.797 -13.692 1.00 72.30 H new ATOM 0 HB2 TYR A 16 7.475 -12.471 -12.884 1.00 32.43 H new ATOM 0 HB3 TYR A 16 8.882 -12.837 -11.905 1.00 32.43 H new ATOM 0 HD1 TYR A 16 7.673 -12.493 -15.396 1.00 31.43 H new ATOM 0 HD2 TYR A 16 11.086 -12.913 -12.880 1.00 45.05 H new ATOM 0 HE1 TYR A 16 9.134 -11.933 -17.288 1.00 32.35 H new ATOM 0 HE2 TYR A 16 12.550 -12.346 -14.769 1.00 72.32 H new ATOM 0 HH TYR A 16 12.684 -11.806 -16.907 1.00 32.24 H new ATOM 219 N ASP A 17 9.640 -15.876 -13.949 1.00 52.12 N ATOM 220 CA ASP A 17 10.818 -16.727 -14.065 1.00 30.51 C ATOM 221 C ASP A 17 10.578 -18.080 -13.401 1.00 4.22 C ATOM 222 O ASP A 17 11.462 -18.622 -12.737 1.00 33.24 O ATOM 223 CB ASP A 17 12.032 -16.043 -13.434 1.00 71.42 C ATOM 224 CG ASP A 17 13.284 -16.195 -14.275 1.00 70.23 C ATOM 225 OD1 ASP A 17 13.332 -15.611 -15.378 1.00 32.31 O ATOM 226 OD2 ASP A 17 14.216 -16.899 -13.831 1.00 52.34 O ATOM 0 H ASP A 17 9.196 -15.647 -14.838 1.00 52.12 H new ATOM 0 HA ASP A 17 11.014 -16.892 -15.124 1.00 30.51 H new ATOM 0 HB2 ASP A 17 11.817 -14.983 -13.296 1.00 71.42 H new ATOM 0 HB3 ASP A 17 12.209 -16.464 -12.444 1.00 71.42 H new ATOM 231 N VAL A 18 9.377 -18.619 -13.584 1.00 2.11 N ATOM 232 CA VAL A 18 9.021 -19.908 -13.003 1.00 0.33 C ATOM 233 C VAL A 18 8.078 -20.681 -13.917 1.00 70.24 C ATOM 234 O VAL A 18 7.183 -20.104 -14.533 1.00 15.54 O ATOM 235 CB VAL A 18 8.356 -19.737 -11.624 1.00 21.11 C ATOM 236 CG1 VAL A 18 8.062 -21.093 -11.001 1.00 62.42 C ATOM 237 CG2 VAL A 18 9.237 -18.900 -10.708 1.00 75.32 C ATOM 0 H VAL A 18 8.634 -18.183 -14.130 1.00 2.11 H new ATOM 0 HA VAL A 18 9.948 -20.469 -12.884 1.00 0.33 H new ATOM 0 HB VAL A 18 7.410 -19.213 -11.759 1.00 21.11 H new ATOM 0 HG11 VAL A 18 7.592 -20.952 -10.027 1.00 62.42 H new ATOM 0 HG12 VAL A 18 7.390 -21.654 -11.650 1.00 62.42 H new ATOM 0 HG13 VAL A 18 8.993 -21.646 -10.878 1.00 62.42 H new ATOM 0 HG21 VAL A 18 8.752 -18.789 -9.738 1.00 75.32 H new ATOM 0 HG22 VAL A 18 10.200 -19.394 -10.578 1.00 75.32 H new ATOM 0 HG23 VAL A 18 9.391 -17.916 -11.151 1.00 75.32 H new ATOM 247 N GLU A 19 8.286 -21.992 -14.001 1.00 12.40 N ATOM 248 CA GLU A 19 7.453 -22.844 -14.841 1.00 64.34 C ATOM 249 C GLU A 19 6.065 -23.018 -14.233 1.00 74.04 C ATOM 250 O GLU A 19 5.880 -22.867 -13.025 1.00 72.14 O ATOM 251 CB GLU A 19 8.114 -24.211 -15.031 1.00 74.54 C ATOM 252 CG GLU A 19 7.829 -24.842 -16.384 1.00 73.21 C ATOM 253 CD GLU A 19 7.562 -26.332 -16.289 1.00 12.24 C ATOM 254 OE1 GLU A 19 6.445 -26.710 -15.878 1.00 10.14 O ATOM 255 OE2 GLU A 19 8.471 -27.120 -16.625 1.00 54.54 O ATOM 0 H GLU A 19 9.023 -22.486 -13.498 1.00 12.40 H new ATOM 0 HA GLU A 19 7.346 -22.361 -15.812 1.00 64.34 H new ATOM 0 HB2 GLU A 19 9.192 -24.104 -14.909 1.00 74.54 H new ATOM 0 HB3 GLU A 19 7.770 -24.884 -14.246 1.00 74.54 H new ATOM 0 HG2 GLU A 19 6.967 -24.350 -16.836 1.00 73.21 H new ATOM 0 HG3 GLU A 19 8.677 -24.670 -17.047 1.00 73.21 H new ATOM 262 N CYS A 20 5.090 -23.336 -15.079 1.00 44.35 N ATOM 263 CA CYS A 20 3.718 -23.529 -14.628 1.00 72.51 C ATOM 264 C CYS A 20 3.027 -24.621 -15.441 1.00 10.05 C ATOM 265 O CYS A 20 3.595 -25.152 -16.395 1.00 31.31 O ATOM 266 CB CYS A 20 2.933 -22.221 -14.740 1.00 34.13 C ATOM 267 SG CYS A 20 3.087 -21.397 -16.357 1.00 2.21 S ATOM 0 H CYS A 20 5.226 -23.465 -16.082 1.00 44.35 H new ATOM 0 HA CYS A 20 3.746 -23.840 -13.584 1.00 72.51 H new ATOM 0 HB2 CYS A 20 1.880 -22.424 -14.547 1.00 34.13 H new ATOM 0 HB3 CYS A 20 3.274 -21.538 -13.962 1.00 34.13 H new ATOM 272 N ASP A 21 1.799 -24.950 -15.055 1.00 51.42 N ATOM 273 CA ASP A 21 1.029 -25.977 -15.748 1.00 3.51 C ATOM 274 C ASP A 21 0.076 -25.350 -16.761 1.00 34.34 C ATOM 275 O ASP A 21 -0.481 -24.278 -16.523 1.00 72.44 O ATOM 276 CB ASP A 21 0.244 -26.820 -14.743 1.00 34.22 C ATOM 277 CG ASP A 21 0.203 -28.287 -15.125 1.00 0.25 C ATOM 278 OD1 ASP A 21 -0.501 -28.628 -16.098 1.00 50.54 O ATOM 279 OD2 ASP A 21 0.876 -29.094 -14.450 1.00 50.21 O ATOM 0 H ASP A 21 1.315 -24.521 -14.266 1.00 51.42 H new ATOM 0 HA ASP A 21 1.727 -26.621 -16.283 1.00 3.51 H new ATOM 0 HB2 ASP A 21 0.695 -26.717 -13.756 1.00 34.22 H new ATOM 0 HB3 ASP A 21 -0.774 -26.438 -14.670 1.00 34.22 H new ATOM 284 N SER A 22 -0.107 -26.026 -17.890 1.00 61.25 N ATOM 285 CA SER A 22 -0.989 -25.534 -18.942 1.00 12.42 C ATOM 286 C SER A 22 -0.579 -24.132 -19.383 1.00 12.23 C ATOM 287 O SER A 22 -1.397 -23.364 -19.888 1.00 45.14 O ATOM 288 CB SER A 22 -2.440 -25.524 -18.456 1.00 50.13 C ATOM 289 OG SER A 22 -2.904 -26.840 -18.209 1.00 2.12 O ATOM 0 H SER A 22 0.344 -26.916 -18.100 1.00 61.25 H new ATOM 0 HA SER A 22 -0.904 -26.204 -19.797 1.00 12.42 H new ATOM 0 HB2 SER A 22 -2.518 -24.931 -17.545 1.00 50.13 H new ATOM 0 HB3 SER A 22 -3.074 -25.046 -19.203 1.00 50.13 H new ATOM 0 HG SER A 22 -3.833 -26.806 -17.898 1.00 2.12 H new ATOM 295 N GLY A 23 0.695 -23.805 -19.186 1.00 72.34 N ATOM 296 CA GLY A 23 1.193 -22.497 -19.569 1.00 14.24 C ATOM 297 C GLY A 23 0.415 -21.369 -18.921 1.00 15.41 C ATOM 298 O GLY A 23 0.405 -20.245 -19.423 1.00 23.23 O ATOM 0 H GLY A 23 1.391 -24.423 -18.768 1.00 72.34 H new ATOM 0 HA2 GLY A 23 2.244 -22.416 -19.291 1.00 14.24 H new ATOM 0 HA3 GLY A 23 1.141 -22.395 -20.653 1.00 14.24 H new ATOM 302 N GLU A 24 -0.241 -21.669 -17.804 1.00 52.21 N ATOM 303 CA GLU A 24 -1.028 -20.671 -17.089 1.00 40.33 C ATOM 304 C GLU A 24 -0.227 -20.068 -15.939 1.00 23.43 C ATOM 305 O GLU A 24 0.320 -20.789 -15.103 1.00 61.35 O ATOM 306 CB GLU A 24 -2.319 -21.294 -16.555 1.00 12.13 C ATOM 307 CG GLU A 24 -3.316 -20.274 -16.030 1.00 44.21 C ATOM 308 CD GLU A 24 -3.863 -19.377 -17.124 1.00 2.14 C ATOM 309 OE1 GLU A 24 -4.545 -19.898 -18.031 1.00 11.50 O ATOM 310 OE2 GLU A 24 -3.609 -18.155 -17.072 1.00 62.54 O ATOM 0 H GLU A 24 -0.243 -22.594 -17.375 1.00 52.21 H new ATOM 0 HA GLU A 24 -1.280 -19.875 -17.789 1.00 40.33 H new ATOM 0 HB2 GLU A 24 -2.789 -21.873 -17.350 1.00 12.13 H new ATOM 0 HB3 GLU A 24 -2.072 -21.993 -15.756 1.00 12.13 H new ATOM 0 HG2 GLU A 24 -4.142 -20.795 -15.545 1.00 44.21 H new ATOM 0 HG3 GLU A 24 -2.835 -19.660 -15.268 1.00 44.21 H new ATOM 317 N CYS A 25 -0.161 -18.742 -15.902 1.00 52.30 N ATOM 318 CA CYS A 25 0.573 -18.040 -14.856 1.00 22.51 C ATOM 319 C CYS A 25 -0.384 -17.393 -13.859 1.00 73.44 C ATOM 320 O CYS A 25 -1.595 -17.356 -14.079 1.00 73.24 O ATOM 321 CB CYS A 25 1.484 -16.976 -15.470 1.00 3.44 C ATOM 322 SG CYS A 25 2.933 -17.651 -16.345 1.00 15.44 S ATOM 0 H CYS A 25 -0.608 -18.131 -16.586 1.00 52.30 H new ATOM 0 HA CYS A 25 1.184 -18.769 -14.324 1.00 22.51 H new ATOM 0 HB2 CYS A 25 0.902 -16.372 -16.166 1.00 3.44 H new ATOM 0 HB3 CYS A 25 1.829 -16.308 -14.680 1.00 3.44 H new ATOM 327 N CYS A 26 0.167 -16.884 -12.763 1.00 30.22 N ATOM 328 CA CYS A 26 -0.636 -16.239 -11.732 1.00 11.44 C ATOM 329 C CYS A 26 -1.516 -15.145 -12.332 1.00 25.41 C ATOM 330 O CYS A 26 -1.385 -14.807 -13.508 1.00 1.22 O ATOM 331 CB CYS A 26 0.268 -15.644 -10.649 1.00 75.53 C ATOM 332 SG CYS A 26 -0.377 -15.834 -8.956 1.00 21.30 S ATOM 0 H CYS A 26 1.168 -16.906 -12.566 1.00 30.22 H new ATOM 0 HA CYS A 26 -1.281 -16.995 -11.284 1.00 11.44 H new ATOM 0 HB2 CYS A 26 1.248 -16.117 -10.708 1.00 75.53 H new ATOM 0 HB3 CYS A 26 0.413 -14.583 -10.854 1.00 75.53 H new ATOM 337 N GLN A 27 -2.410 -14.598 -11.515 1.00 71.32 N ATOM 338 CA GLN A 27 -3.311 -13.544 -11.966 1.00 20.11 C ATOM 339 C GLN A 27 -2.529 -12.377 -12.560 1.00 71.33 C ATOM 340 O GLN A 27 -2.665 -12.063 -13.743 1.00 15.42 O ATOM 341 CB GLN A 27 -4.178 -13.054 -10.805 1.00 3.22 C ATOM 342 CG GLN A 27 -4.850 -14.176 -10.032 1.00 35.55 C ATOM 343 CD GLN A 27 -5.425 -15.247 -10.938 1.00 63.23 C ATOM 344 OE1 GLN A 27 -6.395 -15.012 -11.659 1.00 12.13 O ATOM 345 NE2 GLN A 27 -4.827 -16.432 -10.908 1.00 25.32 N ATOM 0 H GLN A 27 -2.530 -14.867 -10.538 1.00 71.32 H new ATOM 0 HA GLN A 27 -3.955 -13.958 -12.742 1.00 20.11 H new ATOM 0 HB2 GLN A 27 -3.560 -12.472 -10.121 1.00 3.22 H new ATOM 0 HB3 GLN A 27 -4.944 -12.382 -11.193 1.00 3.22 H new ATOM 0 HG2 GLN A 27 -4.126 -14.629 -9.354 1.00 35.55 H new ATOM 0 HG3 GLN A 27 -5.647 -13.761 -9.416 1.00 35.55 H new ATOM 0 HE21 GLN A 27 -4.026 -16.583 -10.295 1.00 25.32 H new ATOM 0 HE22 GLN A 27 -5.169 -17.191 -11.498 1.00 25.32 H new ATOM 354 N LYS A 28 -1.710 -11.738 -11.733 1.00 4.13 N ATOM 355 CA LYS A 28 -0.904 -10.606 -12.175 1.00 53.14 C ATOM 356 C LYS A 28 0.362 -10.477 -11.335 1.00 62.41 C ATOM 357 O LYS A 28 0.506 -11.140 -10.308 1.00 72.44 O ATOM 358 CB LYS A 28 -1.717 -9.312 -12.093 1.00 14.02 C ATOM 359 CG LYS A 28 -2.852 -9.241 -13.100 1.00 60.21 C ATOM 360 CD LYS A 28 -3.642 -7.951 -12.960 1.00 52.12 C ATOM 361 CE LYS A 28 -4.783 -8.101 -11.966 1.00 33.22 C ATOM 362 NZ LYS A 28 -5.720 -6.945 -12.017 1.00 42.43 N ATOM 0 H LYS A 28 -1.586 -11.985 -10.751 1.00 4.13 H new ATOM 0 HA LYS A 28 -0.614 -10.782 -13.211 1.00 53.14 H new ATOM 0 HB2 LYS A 28 -2.128 -9.214 -11.088 1.00 14.02 H new ATOM 0 HB3 LYS A 28 -1.051 -8.464 -12.249 1.00 14.02 H new ATOM 0 HG2 LYS A 28 -2.449 -9.314 -14.110 1.00 60.21 H new ATOM 0 HG3 LYS A 28 -3.517 -10.093 -12.960 1.00 60.21 H new ATOM 0 HD2 LYS A 28 -2.978 -7.150 -12.635 1.00 52.12 H new ATOM 0 HD3 LYS A 28 -4.041 -7.660 -13.932 1.00 52.12 H new ATOM 0 HE2 LYS A 28 -5.329 -9.020 -12.177 1.00 33.22 H new ATOM 0 HE3 LYS A 28 -4.377 -8.195 -10.959 1.00 33.22 H new ATOM 0 HZ1 LYS A 28 -6.483 -7.086 -11.325 1.00 42.43 H new ATOM 0 HZ2 LYS A 28 -5.205 -6.070 -11.791 1.00 42.43 H new ATOM 0 HZ3 LYS A 28 -6.127 -6.870 -12.971 1.00 42.43 H new ATOM 376 N GLN A 29 1.276 -9.620 -11.778 1.00 0.23 N ATOM 377 CA GLN A 29 2.530 -9.405 -11.065 1.00 13.21 C ATOM 378 C GLN A 29 2.928 -7.933 -11.097 1.00 25.04 C ATOM 379 O GLN A 29 2.556 -7.198 -12.011 1.00 75.13 O ATOM 380 CB GLN A 29 3.641 -10.260 -11.676 1.00 3.23 C ATOM 381 CG GLN A 29 4.970 -10.142 -10.947 1.00 10.24 C ATOM 382 CD GLN A 29 5.776 -11.425 -10.991 1.00 42.22 C ATOM 383 OE1 GLN A 29 5.331 -12.433 -11.540 1.00 55.23 O ATOM 384 NE2 GLN A 29 6.971 -11.394 -10.412 1.00 73.11 N ATOM 0 H GLN A 29 1.172 -9.064 -12.627 1.00 0.23 H new ATOM 0 HA GLN A 29 2.384 -9.700 -10.026 1.00 13.21 H new ATOM 0 HB2 GLN A 29 3.327 -11.304 -11.675 1.00 3.23 H new ATOM 0 HB3 GLN A 29 3.780 -9.970 -12.717 1.00 3.23 H new ATOM 0 HG2 GLN A 29 5.553 -9.336 -11.391 1.00 10.24 H new ATOM 0 HG3 GLN A 29 4.787 -9.868 -9.908 1.00 10.24 H new ATOM 0 HE21 GLN A 29 7.301 -10.537 -9.968 1.00 73.11 H new ATOM 0 HE22 GLN A 29 7.559 -12.227 -10.411 1.00 73.11 H new ATOM 393 N TYR A 30 3.688 -7.509 -10.092 1.00 73.34 N ATOM 394 CA TYR A 30 4.135 -6.124 -10.004 1.00 32.32 C ATOM 395 C TYR A 30 5.468 -5.935 -10.722 1.00 34.12 C ATOM 396 O TYR A 30 6.533 -6.181 -10.154 1.00 72.32 O ATOM 397 CB TYR A 30 4.267 -5.702 -8.540 1.00 0.33 C ATOM 398 CG TYR A 30 4.260 -4.203 -8.339 1.00 62.10 C ATOM 399 CD1 TYR A 30 3.240 -3.417 -8.861 1.00 61.44 C ATOM 400 CD2 TYR A 30 5.274 -3.573 -7.628 1.00 52.22 C ATOM 401 CE1 TYR A 30 3.230 -2.048 -8.681 1.00 52.33 C ATOM 402 CE2 TYR A 30 5.271 -2.204 -7.442 1.00 11.02 C ATOM 403 CZ TYR A 30 4.247 -1.446 -7.970 1.00 41.24 C ATOM 404 OH TYR A 30 4.241 -0.082 -7.788 1.00 44.12 O ATOM 0 H TYR A 30 4.007 -8.105 -9.328 1.00 73.34 H new ATOM 0 HA TYR A 30 3.389 -5.496 -10.491 1.00 32.32 H new ATOM 0 HB2 TYR A 30 3.449 -6.141 -7.969 1.00 0.33 H new ATOM 0 HB3 TYR A 30 5.193 -6.110 -8.135 1.00 0.33 H new ATOM 0 HD1 TYR A 30 2.441 -3.885 -9.417 1.00 61.44 H new ATOM 0 HD2 TYR A 30 6.078 -4.163 -7.214 1.00 52.22 H new ATOM 0 HE1 TYR A 30 2.430 -1.452 -9.095 1.00 52.33 H new ATOM 0 HE2 TYR A 30 6.066 -1.730 -6.886 1.00 11.02 H new ATOM 0 HH TYR A 30 5.027 0.182 -7.265 1.00 44.12 H new ATOM 414 N LEU A 31 5.400 -5.496 -11.974 1.00 4.55 N ATOM 415 CA LEU A 31 6.601 -5.272 -12.771 1.00 40.53 C ATOM 416 C LEU A 31 6.628 -3.852 -13.328 1.00 51.30 C ATOM 417 O LEU A 31 5.610 -3.337 -13.791 1.00 11.45 O ATOM 418 CB LEU A 31 6.672 -6.282 -13.917 1.00 74.33 C ATOM 419 CG LEU A 31 6.771 -7.753 -13.510 1.00 42.22 C ATOM 420 CD1 LEU A 31 6.078 -8.638 -14.534 1.00 64.32 C ATOM 421 CD2 LEU A 31 8.227 -8.163 -13.346 1.00 23.15 C ATOM 0 H LEU A 31 4.527 -5.288 -12.459 1.00 4.55 H new ATOM 0 HA LEU A 31 7.467 -5.405 -12.123 1.00 40.53 H new ATOM 0 HB2 LEU A 31 5.787 -6.157 -14.540 1.00 74.33 H new ATOM 0 HB3 LEU A 31 7.535 -6.038 -14.537 1.00 74.33 H new ATOM 0 HG LEU A 31 6.268 -7.880 -12.551 1.00 42.22 H new ATOM 0 HD11 LEU A 31 6.159 -9.681 -14.228 1.00 64.32 H new ATOM 0 HD12 LEU A 31 5.026 -8.360 -14.602 1.00 64.32 H new ATOM 0 HD13 LEU A 31 6.552 -8.508 -15.507 1.00 64.32 H new ATOM 0 HD21 LEU A 31 8.279 -9.212 -13.056 1.00 23.15 H new ATOM 0 HD22 LEU A 31 8.754 -8.021 -14.290 1.00 23.15 H new ATOM 0 HD23 LEU A 31 8.693 -7.550 -12.574 1.00 23.15 H new ATOM 433 N TRP A 32 7.798 -3.226 -13.282 1.00 23.02 N ATOM 434 CA TRP A 32 7.958 -1.866 -13.784 1.00 1.11 C ATOM 435 C TRP A 32 7.022 -0.905 -13.059 1.00 45.30 C ATOM 436 O TRP A 32 6.458 0.005 -13.668 1.00 21.51 O ATOM 437 CB TRP A 32 7.689 -1.821 -15.289 1.00 24.10 C ATOM 438 CG TRP A 32 8.854 -2.279 -16.114 1.00 73.31 C ATOM 439 CD1 TRP A 32 9.777 -3.226 -15.774 1.00 22.02 C ATOM 440 CD2 TRP A 32 9.219 -1.809 -17.416 1.00 42.00 C ATOM 441 NE1 TRP A 32 10.695 -3.373 -16.786 1.00 0.51 N ATOM 442 CE2 TRP A 32 10.374 -2.515 -17.805 1.00 23.21 C ATOM 443 CE3 TRP A 32 8.682 -0.862 -18.292 1.00 2.21 C ATOM 444 CZ2 TRP A 32 11.000 -2.301 -19.030 1.00 72.43 C ATOM 445 CZ3 TRP A 32 9.304 -0.651 -19.508 1.00 4.54 C ATOM 446 CH2 TRP A 32 10.453 -1.368 -19.868 1.00 73.02 C ATOM 0 H TRP A 32 8.650 -3.638 -12.902 1.00 23.02 H new ATOM 0 HA TRP A 32 8.985 -1.554 -13.596 1.00 1.11 H new ATOM 0 HB2 TRP A 32 6.825 -2.445 -15.515 1.00 24.10 H new ATOM 0 HB3 TRP A 32 7.429 -0.802 -15.574 1.00 24.10 H new ATOM 0 HD1 TRP A 32 9.785 -3.778 -14.846 1.00 22.02 H new ATOM 0 HE1 TRP A 32 11.487 -4.016 -16.780 1.00 0.51 H new ATOM 0 HE3 TRP A 32 7.797 -0.305 -18.024 1.00 2.21 H new ATOM 0 HZ2 TRP A 32 11.886 -2.852 -19.309 1.00 72.43 H new ATOM 0 HZ3 TRP A 32 8.898 0.079 -20.192 1.00 4.54 H new ATOM 0 HH2 TRP A 32 10.916 -1.180 -20.826 1.00 73.02 H new ATOM 457 N TYR A 33 6.862 -1.111 -11.757 1.00 24.23 N ATOM 458 CA TYR A 33 5.993 -0.264 -10.950 1.00 13.43 C ATOM 459 C TYR A 33 4.564 -0.284 -11.484 1.00 33.44 C ATOM 460 O TYR A 33 3.868 0.731 -11.470 1.00 40.44 O ATOM 461 CB TYR A 33 6.521 1.172 -10.929 1.00 74.13 C ATOM 462 CG TYR A 33 7.647 1.389 -9.944 1.00 61.15 C ATOM 463 CD1 TYR A 33 8.951 1.024 -10.259 1.00 35.23 C ATOM 464 CD2 TYR A 33 7.408 1.958 -8.700 1.00 23.23 C ATOM 465 CE1 TYR A 33 9.983 1.219 -9.362 1.00 0.41 C ATOM 466 CE2 TYR A 33 8.435 2.159 -7.797 1.00 72.53 C ATOM 467 CZ TYR A 33 9.720 1.788 -8.133 1.00 22.42 C ATOM 468 OH TYR A 33 10.745 1.985 -7.236 1.00 62.51 O ATOM 0 H TYR A 33 7.323 -1.858 -11.238 1.00 24.23 H new ATOM 0 HA TYR A 33 5.988 -0.657 -9.933 1.00 13.43 H new ATOM 0 HB2 TYR A 33 6.867 1.437 -11.928 1.00 74.13 H new ATOM 0 HB3 TYR A 33 5.701 1.848 -10.686 1.00 74.13 H new ATOM 0 HD1 TYR A 33 9.161 0.581 -11.221 1.00 35.23 H new ATOM 0 HD2 TYR A 33 6.402 2.248 -8.434 1.00 23.23 H new ATOM 0 HE1 TYR A 33 10.990 0.928 -9.621 1.00 0.41 H new ATOM 0 HE2 TYR A 33 8.232 2.604 -6.834 1.00 72.53 H new ATOM 0 HH TYR A 33 10.391 2.396 -6.420 1.00 62.51 H new ATOM 478 N LYS A 34 4.131 -1.450 -11.953 1.00 4.12 N ATOM 479 CA LYS A 34 2.785 -1.607 -12.490 1.00 41.02 C ATOM 480 C LYS A 34 2.361 -3.072 -12.476 1.00 30.14 C ATOM 481 O LYS A 34 3.196 -3.970 -12.583 1.00 73.54 O ATOM 482 CB LYS A 34 2.716 -1.059 -13.918 1.00 23.35 C ATOM 483 CG LYS A 34 1.365 -0.467 -14.277 1.00 73.34 C ATOM 484 CD LYS A 34 1.277 0.999 -13.888 1.00 35.20 C ATOM 485 CE LYS A 34 1.900 1.895 -14.947 1.00 4.23 C ATOM 486 NZ LYS A 34 0.990 2.099 -16.108 1.00 21.35 N ATOM 0 H LYS A 34 4.694 -2.300 -11.972 1.00 4.12 H new ATOM 0 HA LYS A 34 2.100 -1.043 -11.857 1.00 41.02 H new ATOM 0 HB2 LYS A 34 3.483 -0.295 -14.042 1.00 23.35 H new ATOM 0 HB3 LYS A 34 2.949 -1.861 -14.618 1.00 23.35 H new ATOM 0 HG2 LYS A 34 1.195 -0.571 -15.349 1.00 73.34 H new ATOM 0 HG3 LYS A 34 0.576 -1.026 -13.773 1.00 73.34 H new ATOM 0 HD2 LYS A 34 0.233 1.276 -13.744 1.00 35.20 H new ATOM 0 HD3 LYS A 34 1.783 1.155 -12.935 1.00 35.20 H new ATOM 0 HE2 LYS A 34 2.147 2.861 -14.506 1.00 4.23 H new ATOM 0 HE3 LYS A 34 2.835 1.453 -15.292 1.00 4.23 H new ATOM 0 HZ1 LYS A 34 1.452 2.715 -16.807 1.00 21.35 H new ATOM 0 HZ2 LYS A 34 0.774 1.180 -16.545 1.00 21.35 H new ATOM 0 HZ3 LYS A 34 0.108 2.544 -15.784 1.00 21.35 H new ATOM 500 N TRP A 35 1.060 -3.305 -12.343 1.00 63.21 N ATOM 501 CA TRP A 35 0.526 -4.662 -12.316 1.00 61.12 C ATOM 502 C TRP A 35 0.294 -5.184 -13.730 1.00 1.11 C ATOM 503 O TRP A 35 -0.640 -4.762 -14.412 1.00 11.24 O ATOM 504 CB TRP A 35 -0.782 -4.702 -11.524 1.00 5.33 C ATOM 505 CG TRP A 35 -0.582 -4.594 -10.042 1.00 64.12 C ATOM 506 CD1 TRP A 35 -0.824 -3.501 -9.260 1.00 31.43 C ATOM 507 CD2 TRP A 35 -0.096 -5.617 -9.166 1.00 72.44 C ATOM 508 NE1 TRP A 35 -0.519 -3.784 -7.950 1.00 45.31 N ATOM 509 CE2 TRP A 35 -0.071 -5.076 -7.866 1.00 42.43 C ATOM 510 CE3 TRP A 35 0.317 -6.939 -9.353 1.00 64.13 C ATOM 511 CZ2 TRP A 35 0.353 -5.810 -6.762 1.00 60.32 C ATOM 512 CZ3 TRP A 35 0.738 -7.667 -8.256 1.00 41.24 C ATOM 513 CH2 TRP A 35 0.753 -7.102 -6.974 1.00 53.33 C ATOM 0 H TRP A 35 0.356 -2.573 -12.252 1.00 63.21 H new ATOM 0 HA TRP A 35 1.259 -5.304 -11.827 1.00 61.12 H new ATOM 0 HB2 TRP A 35 -1.425 -3.887 -11.857 1.00 5.33 H new ATOM 0 HB3 TRP A 35 -1.305 -5.632 -11.746 1.00 5.33 H new ATOM 0 HD1 TRP A 35 -1.200 -2.554 -9.618 1.00 31.43 H new ATOM 0 HE1 TRP A 35 -0.611 -3.137 -7.167 1.00 45.31 H new ATOM 0 HE3 TRP A 35 0.307 -7.384 -10.337 1.00 64.13 H new ATOM 0 HZ2 TRP A 35 0.366 -5.376 -5.773 1.00 60.32 H new ATOM 0 HZ3 TRP A 35 1.061 -8.689 -8.389 1.00 41.24 H new ATOM 0 HH2 TRP A 35 1.087 -7.697 -6.137 1.00 53.33 H new ATOM 524 N ARG A 36 1.149 -6.104 -14.164 1.00 43.34 N ATOM 525 CA ARG A 36 1.037 -6.682 -15.498 1.00 42.10 C ATOM 526 C ARG A 36 0.780 -8.184 -15.420 1.00 25.04 C ATOM 527 O ARG A 36 1.142 -8.851 -14.449 1.00 54.54 O ATOM 528 CB ARG A 36 2.310 -6.413 -16.303 1.00 1.45 C ATOM 529 CG ARG A 36 2.858 -5.006 -16.124 1.00 15.04 C ATOM 530 CD ARG A 36 4.065 -4.760 -17.015 1.00 73.42 C ATOM 531 NE ARG A 36 4.494 -3.365 -16.983 1.00 51.23 N ATOM 532 CZ ARG A 36 3.919 -2.403 -17.696 1.00 52.40 C ATOM 533 NH1 ARG A 36 2.896 -2.683 -18.492 1.00 21.53 N ATOM 534 NH2 ARG A 36 4.366 -1.156 -17.613 1.00 63.22 N ATOM 0 H ARG A 36 1.927 -6.465 -13.612 1.00 43.34 H new ATOM 0 HA ARG A 36 0.192 -6.211 -16.000 1.00 42.10 H new ATOM 0 HB2 ARG A 36 3.075 -7.132 -16.009 1.00 1.45 H new ATOM 0 HB3 ARG A 36 2.104 -6.582 -17.360 1.00 1.45 H new ATOM 0 HG2 ARG A 36 2.079 -4.279 -16.356 1.00 15.04 H new ATOM 0 HG3 ARG A 36 3.137 -4.853 -15.081 1.00 15.04 H new ATOM 0 HD2 ARG A 36 4.888 -5.400 -16.695 1.00 73.42 H new ATOM 0 HD3 ARG A 36 3.822 -5.041 -18.040 1.00 73.42 H new ATOM 0 HE ARG A 36 5.278 -3.115 -16.380 1.00 51.23 H new ATOM 0 HH11 ARG A 36 2.548 -3.640 -18.558 1.00 21.53 H new ATOM 0 HH12 ARG A 36 2.457 -1.942 -19.038 1.00 21.53 H new ATOM 0 HH21 ARG A 36 5.152 -0.936 -17.001 1.00 63.22 H new ATOM 0 HH22 ARG A 36 3.924 -0.418 -18.161 1.00 63.22 H new ATOM 548 N PRO A 37 0.141 -8.731 -16.464 1.00 43.34 N ATOM 549 CA PRO A 37 -0.178 -10.160 -16.538 1.00 10.44 C ATOM 550 C PRO A 37 1.065 -11.023 -16.721 1.00 45.23 C ATOM 551 O PRO A 37 2.173 -10.508 -16.882 1.00 71.00 O ATOM 552 CB PRO A 37 -1.084 -10.258 -17.768 1.00 22.04 C ATOM 553 CG PRO A 37 -0.705 -9.090 -18.611 1.00 70.25 C ATOM 554 CD PRO A 37 -0.318 -7.996 -17.655 1.00 34.20 C ATOM 0 HA PRO A 37 -0.642 -10.522 -15.620 1.00 10.44 H new ATOM 0 HB2 PRO A 37 -0.930 -11.197 -18.300 1.00 22.04 H new ATOM 0 HB3 PRO A 37 -2.137 -10.220 -17.488 1.00 22.04 H new ATOM 0 HG2 PRO A 37 0.123 -9.340 -19.274 1.00 70.25 H new ATOM 0 HG3 PRO A 37 -1.537 -8.779 -19.243 1.00 70.25 H new ATOM 0 HD2 PRO A 37 0.469 -7.364 -18.065 1.00 34.20 H new ATOM 0 HD3 PRO A 37 -1.162 -7.346 -17.425 1.00 34.20 H new ATOM 562 N LEU A 38 0.876 -12.337 -16.697 1.00 61.41 N ATOM 563 CA LEU A 38 1.983 -13.273 -16.862 1.00 22.01 C ATOM 564 C LEU A 38 1.626 -14.368 -17.862 1.00 24.33 C ATOM 565 O LEU A 38 0.451 -14.636 -18.112 1.00 12.55 O ATOM 566 CB LEU A 38 2.354 -13.897 -15.515 1.00 43.14 C ATOM 567 CG LEU A 38 3.005 -12.959 -14.498 1.00 24.41 C ATOM 568 CD1 LEU A 38 3.344 -13.711 -13.220 1.00 64.11 C ATOM 569 CD2 LEU A 38 4.252 -12.316 -15.087 1.00 42.12 C ATOM 0 H LEU A 38 -0.034 -12.779 -16.565 1.00 61.41 H new ATOM 0 HA LEU A 38 2.840 -12.720 -17.248 1.00 22.01 H new ATOM 0 HB2 LEU A 38 1.451 -14.314 -15.069 1.00 43.14 H new ATOM 0 HB3 LEU A 38 3.033 -14.730 -15.698 1.00 43.14 H new ATOM 0 HG LEU A 38 2.294 -12.169 -14.254 1.00 24.41 H new ATOM 0 HD11 LEU A 38 3.807 -13.028 -12.508 1.00 64.11 H new ATOM 0 HD12 LEU A 38 2.432 -14.123 -12.788 1.00 64.11 H new ATOM 0 HD13 LEU A 38 4.036 -14.521 -13.448 1.00 64.11 H new ATOM 0 HD21 LEU A 38 4.702 -11.652 -14.349 1.00 42.12 H new ATOM 0 HD22 LEU A 38 4.967 -13.092 -15.360 1.00 42.12 H new ATOM 0 HD23 LEU A 38 3.982 -11.743 -15.974 1.00 42.12 H new ATOM 581 N ASP A 39 2.648 -15.000 -18.429 1.00 21.12 N ATOM 582 CA ASP A 39 2.443 -16.069 -19.399 1.00 74.20 C ATOM 583 C ASP A 39 3.714 -16.893 -19.578 1.00 2.24 C ATOM 584 O ASP A 39 4.803 -16.344 -19.748 1.00 23.00 O ATOM 585 CB ASP A 39 2.003 -15.489 -20.744 1.00 50.30 C ATOM 586 CG ASP A 39 1.882 -16.549 -21.820 1.00 74.45 C ATOM 587 OD1 ASP A 39 1.228 -17.583 -21.565 1.00 3.23 O ATOM 588 OD2 ASP A 39 2.439 -16.346 -22.919 1.00 10.30 O ATOM 0 H ASP A 39 3.627 -14.790 -18.233 1.00 21.12 H new ATOM 0 HA ASP A 39 1.658 -16.723 -19.020 1.00 74.20 H new ATOM 0 HB2 ASP A 39 1.043 -14.987 -20.623 1.00 50.30 H new ATOM 0 HB3 ASP A 39 2.720 -14.733 -21.062 1.00 50.30 H new ATOM 593 N CYS A 40 3.569 -18.213 -19.536 1.00 54.04 N ATOM 594 CA CYS A 40 4.705 -19.113 -19.692 1.00 74.30 C ATOM 595 C CYS A 40 5.195 -19.126 -21.137 1.00 74.22 C ATOM 596 O CYS A 40 4.579 -19.743 -22.007 1.00 13.23 O ATOM 597 CB CYS A 40 4.322 -20.530 -19.259 1.00 4.01 C ATOM 598 SG CYS A 40 4.623 -20.875 -17.496 1.00 23.13 S ATOM 0 H CYS A 40 2.675 -18.683 -19.395 1.00 54.04 H new ATOM 0 HA CYS A 40 5.513 -18.751 -19.056 1.00 74.30 H new ATOM 0 HB2 CYS A 40 3.266 -20.691 -19.475 1.00 4.01 H new ATOM 0 HB3 CYS A 40 4.883 -21.246 -19.859 1.00 4.01 H new ATOM 603 N ARG A 41 6.306 -18.442 -21.385 1.00 43.43 N ATOM 604 CA ARG A 41 6.879 -18.373 -22.724 1.00 73.34 C ATOM 605 C ARG A 41 8.163 -19.193 -22.809 1.00 73.42 C ATOM 606 O ARG A 41 8.861 -19.379 -21.812 1.00 34.22 O ATOM 607 CB ARG A 41 7.163 -16.920 -23.107 1.00 41.21 C ATOM 608 CG ARG A 41 5.999 -16.235 -23.804 1.00 41.41 C ATOM 609 CD ARG A 41 6.067 -16.418 -25.312 1.00 50.32 C ATOM 610 NE ARG A 41 5.412 -15.325 -26.026 1.00 73.23 N ATOM 611 CZ ARG A 41 5.883 -14.084 -26.063 1.00 3.11 C ATOM 612 NH1 ARG A 41 7.008 -13.779 -25.430 1.00 33.51 N ATOM 613 NH2 ARG A 41 5.230 -13.144 -26.734 1.00 71.24 N ATOM 0 H ARG A 41 6.828 -17.927 -20.676 1.00 43.43 H new ATOM 0 HA ARG A 41 6.155 -18.790 -23.423 1.00 73.34 H new ATOM 0 HB2 ARG A 41 7.418 -16.359 -22.208 1.00 41.21 H new ATOM 0 HB3 ARG A 41 8.035 -16.889 -23.760 1.00 41.21 H new ATOM 0 HG2 ARG A 41 5.059 -16.641 -23.429 1.00 41.41 H new ATOM 0 HG3 ARG A 41 6.005 -15.172 -23.565 1.00 41.41 H new ATOM 0 HD2 ARG A 41 7.110 -16.481 -25.623 1.00 50.32 H new ATOM 0 HD3 ARG A 41 5.596 -17.363 -25.584 1.00 50.32 H new ATOM 0 HE ARG A 41 4.545 -15.526 -26.524 1.00 73.23 H new ATOM 0 HH11 ARG A 41 7.514 -14.499 -24.913 1.00 33.51 H new ATOM 0 HH12 ARG A 41 7.368 -12.825 -25.460 1.00 33.51 H new ATOM 0 HH21 ARG A 41 4.365 -13.374 -27.223 1.00 71.24 H new ATOM 0 HH22 ARG A 41 5.593 -12.191 -26.761 1.00 71.24 H new ATOM 627 N CYS A 42 8.468 -19.682 -24.006 1.00 63.44 N ATOM 628 CA CYS A 42 9.667 -20.483 -24.223 1.00 30.54 C ATOM 629 C CYS A 42 10.707 -19.702 -25.021 1.00 32.13 C ATOM 630 O CYS A 42 10.548 -19.484 -26.223 1.00 11.05 O ATOM 631 CB CYS A 42 9.314 -21.780 -24.955 1.00 43.41 C ATOM 632 SG CYS A 42 7.888 -22.668 -24.250 1.00 45.43 S ATOM 0 H CYS A 42 7.901 -19.538 -24.841 1.00 63.44 H new ATOM 0 HA CYS A 42 10.091 -20.727 -23.249 1.00 30.54 H new ATOM 0 HB2 CYS A 42 9.104 -21.550 -26.000 1.00 43.41 H new ATOM 0 HB3 CYS A 42 10.182 -22.440 -24.942 1.00 43.41 H new ATOM 637 N LEU A 43 11.771 -19.283 -24.345 1.00 32.35 N ATOM 638 CA LEU A 43 12.838 -18.526 -24.990 1.00 30.24 C ATOM 639 C LEU A 43 14.196 -18.886 -24.397 1.00 24.43 C ATOM 640 O LEU A 43 14.286 -19.352 -23.260 1.00 45.05 O ATOM 641 CB LEU A 43 12.586 -17.025 -24.842 1.00 1.34 C ATOM 642 CG LEU A 43 12.323 -16.525 -23.421 1.00 20.14 C ATOM 643 CD1 LEU A 43 13.628 -16.146 -22.738 1.00 10.30 C ATOM 644 CD2 LEU A 43 11.366 -15.342 -23.440 1.00 34.42 C ATOM 0 H LEU A 43 11.918 -19.455 -23.350 1.00 32.35 H new ATOM 0 HA LEU A 43 12.845 -18.784 -26.049 1.00 30.24 H new ATOM 0 HB2 LEU A 43 13.449 -16.491 -25.240 1.00 1.34 H new ATOM 0 HB3 LEU A 43 11.732 -16.757 -25.464 1.00 1.34 H new ATOM 0 HG LEU A 43 11.860 -17.332 -22.853 1.00 20.14 H new ATOM 0 HD11 LEU A 43 13.421 -15.793 -21.728 1.00 10.30 H new ATOM 0 HD12 LEU A 43 14.280 -17.018 -22.691 1.00 10.30 H new ATOM 0 HD13 LEU A 43 14.119 -15.356 -23.305 1.00 10.30 H new ATOM 0 HD21 LEU A 43 11.190 -15.000 -22.420 1.00 34.42 H new ATOM 0 HD22 LEU A 43 11.801 -14.532 -24.025 1.00 34.42 H new ATOM 0 HD23 LEU A 43 10.420 -15.646 -23.888 1.00 34.42 H new ATOM 656 N LYS A 44 15.252 -18.666 -25.173 1.00 21.12 N ATOM 657 CA LYS A 44 16.607 -18.964 -24.725 1.00 3.44 C ATOM 658 C LYS A 44 17.580 -17.878 -25.174 1.00 52.13 C ATOM 659 O LYS A 44 17.443 -17.322 -26.264 1.00 4.21 O ATOM 660 CB LYS A 44 17.058 -20.323 -25.265 1.00 3.45 C ATOM 661 CG LYS A 44 16.959 -20.440 -26.776 1.00 4.04 C ATOM 662 CD LYS A 44 17.918 -21.487 -27.318 1.00 2.34 C ATOM 663 CE LYS A 44 18.106 -21.345 -28.820 1.00 63.43 C ATOM 664 NZ LYS A 44 18.567 -22.617 -29.444 1.00 4.24 N ATOM 0 H LYS A 44 15.195 -18.282 -26.116 1.00 21.12 H new ATOM 0 HA LYS A 44 16.604 -18.996 -23.635 1.00 3.44 H new ATOM 0 HB2 LYS A 44 18.090 -20.501 -24.962 1.00 3.45 H new ATOM 0 HB3 LYS A 44 16.452 -21.105 -24.808 1.00 3.45 H new ATOM 0 HG2 LYS A 44 15.938 -20.701 -27.056 1.00 4.04 H new ATOM 0 HG3 LYS A 44 17.178 -19.474 -27.232 1.00 4.04 H new ATOM 0 HD2 LYS A 44 18.882 -21.392 -26.819 1.00 2.34 H new ATOM 0 HD3 LYS A 44 17.538 -22.483 -27.090 1.00 2.34 H new ATOM 0 HE2 LYS A 44 17.165 -21.037 -29.276 1.00 63.43 H new ATOM 0 HE3 LYS A 44 18.832 -20.557 -29.022 1.00 63.43 H new ATOM 0 HZ1 LYS A 44 18.683 -22.479 -30.468 1.00 4.24 H new ATOM 0 HZ2 LYS A 44 19.477 -22.898 -29.027 1.00 4.24 H new ATOM 0 HZ3 LYS A 44 17.863 -23.363 -29.273 1.00 4.24 H new ATOM 678 N SER A 45 18.562 -17.582 -24.329 1.00 32.22 N ATOM 679 CA SER A 45 19.556 -16.561 -24.639 1.00 31.43 C ATOM 680 C SER A 45 20.915 -17.195 -24.921 1.00 50.41 C ATOM 681 O SER A 45 21.753 -17.317 -24.029 1.00 33.45 O ATOM 682 CB SER A 45 19.674 -15.567 -23.482 1.00 43.12 C ATOM 683 OG SER A 45 20.473 -14.454 -23.846 1.00 22.41 O ATOM 0 H SER A 45 18.691 -18.035 -23.424 1.00 32.22 H new ATOM 0 HA SER A 45 19.230 -16.030 -25.533 1.00 31.43 H new ATOM 0 HB2 SER A 45 18.681 -15.226 -23.189 1.00 43.12 H new ATOM 0 HB3 SER A 45 20.109 -16.063 -22.615 1.00 43.12 H new ATOM 0 HG SER A 45 20.532 -13.833 -23.091 1.00 22.41 H new ATOM 689 N GLY A 46 21.126 -17.596 -26.171 1.00 51.52 N ATOM 690 CA GLY A 46 22.384 -18.211 -26.550 1.00 61.44 C ATOM 691 C GLY A 46 22.698 -19.444 -25.726 1.00 73.32 C ATOM 692 O GLY A 46 23.857 -19.840 -25.605 1.00 21.52 O ATOM 0 H GLY A 46 20.448 -17.506 -26.928 1.00 51.52 H new ATOM 0 HA2 GLY A 46 22.349 -18.482 -27.605 1.00 61.44 H new ATOM 0 HA3 GLY A 46 23.189 -17.485 -26.434 1.00 61.44 H new ATOM 696 N PHE A 47 21.662 -20.052 -25.156 1.00 65.34 N ATOM 697 CA PHE A 47 21.833 -21.246 -24.337 1.00 24.14 C ATOM 698 C PHE A 47 21.647 -22.510 -25.171 1.00 34.02 C ATOM 699 O PHE A 47 21.217 -22.449 -26.323 1.00 70.10 O ATOM 700 CB PHE A 47 20.840 -21.238 -23.173 1.00 31.11 C ATOM 701 CG PHE A 47 21.120 -20.171 -22.153 1.00 72.51 C ATOM 702 CD1 PHE A 47 22.389 -20.022 -21.619 1.00 4.53 C ATOM 703 CD2 PHE A 47 20.114 -19.318 -21.729 1.00 74.44 C ATOM 704 CE1 PHE A 47 22.649 -19.041 -20.680 1.00 23.44 C ATOM 705 CE2 PHE A 47 20.368 -18.336 -20.791 1.00 33.12 C ATOM 706 CZ PHE A 47 21.638 -18.197 -20.266 1.00 54.21 C ATOM 0 H PHE A 47 20.696 -19.737 -25.246 1.00 65.34 H new ATOM 0 HA PHE A 47 22.848 -21.241 -23.940 1.00 24.14 H new ATOM 0 HB2 PHE A 47 19.833 -21.098 -23.566 1.00 31.11 H new ATOM 0 HB3 PHE A 47 20.859 -22.212 -22.683 1.00 31.11 H new ATOM 0 HD1 PHE A 47 23.184 -20.679 -21.939 1.00 4.53 H new ATOM 0 HD2 PHE A 47 19.119 -19.422 -22.137 1.00 74.44 H new ATOM 0 HE1 PHE A 47 23.643 -18.935 -20.271 1.00 23.44 H new ATOM 0 HE2 PHE A 47 19.575 -17.678 -20.469 1.00 33.12 H new ATOM 0 HZ PHE A 47 21.840 -17.430 -19.533 1.00 54.21 H new ATOM 716 N PHE A 48 21.973 -23.655 -24.581 1.00 2.05 N ATOM 717 CA PHE A 48 21.844 -24.934 -25.269 1.00 35.13 C ATOM 718 C PHE A 48 20.465 -25.543 -25.030 1.00 52.21 C ATOM 719 O PHE A 48 19.866 -26.125 -25.935 1.00 2.43 O ATOM 720 CB PHE A 48 22.930 -25.903 -24.797 1.00 72.25 C ATOM 721 CG PHE A 48 24.298 -25.568 -25.318 1.00 25.44 C ATOM 722 CD1 PHE A 48 24.733 -26.069 -26.535 1.00 10.54 C ATOM 723 CD2 PHE A 48 25.150 -24.753 -24.590 1.00 23.31 C ATOM 724 CE1 PHE A 48 25.992 -25.763 -27.015 1.00 2.40 C ATOM 725 CE2 PHE A 48 26.411 -24.443 -25.065 1.00 73.55 C ATOM 726 CZ PHE A 48 26.832 -24.948 -26.280 1.00 74.12 C ATOM 0 H PHE A 48 22.329 -23.723 -23.627 1.00 2.05 H new ATOM 0 HA PHE A 48 21.964 -24.757 -26.338 1.00 35.13 H new ATOM 0 HB2 PHE A 48 22.955 -25.905 -23.707 1.00 72.25 H new ATOM 0 HB3 PHE A 48 22.667 -26.913 -25.112 1.00 72.25 H new ATOM 0 HD1 PHE A 48 24.081 -26.706 -27.114 1.00 10.54 H new ATOM 0 HD2 PHE A 48 24.825 -24.355 -23.640 1.00 23.31 H new ATOM 0 HE1 PHE A 48 26.320 -26.161 -27.964 1.00 2.40 H new ATOM 0 HE2 PHE A 48 27.066 -23.807 -24.487 1.00 73.55 H new ATOM 0 HZ PHE A 48 27.816 -24.706 -26.655 1.00 74.12 H new ATOM 736 N SER A 49 19.967 -25.404 -23.805 1.00 63.43 N ATOM 737 CA SER A 49 18.661 -25.944 -23.445 1.00 43.12 C ATOM 738 C SER A 49 17.680 -24.821 -23.123 1.00 73.13 C ATOM 739 O SER A 49 17.889 -24.048 -22.188 1.00 74.04 O ATOM 740 CB SER A 49 18.788 -26.885 -22.246 1.00 30.40 C ATOM 741 OG SER A 49 19.476 -28.073 -22.600 1.00 50.41 O ATOM 0 H SER A 49 20.448 -24.922 -23.046 1.00 63.43 H new ATOM 0 HA SER A 49 18.278 -26.504 -24.298 1.00 43.12 H new ATOM 0 HB2 SER A 49 19.319 -26.381 -21.439 1.00 30.40 H new ATOM 0 HB3 SER A 49 17.796 -27.134 -21.869 1.00 30.40 H new ATOM 0 HG SER A 49 19.545 -28.657 -21.816 1.00 50.41 H new ATOM 747 N SER A 50 16.608 -24.738 -23.905 1.00 60.41 N ATOM 748 CA SER A 50 15.595 -23.708 -23.707 1.00 31.40 C ATOM 749 C SER A 50 14.498 -24.199 -22.767 1.00 70.10 C ATOM 750 O SER A 50 13.983 -25.307 -22.919 1.00 71.02 O ATOM 751 CB SER A 50 14.986 -23.297 -25.049 1.00 21.21 C ATOM 752 OG SER A 50 14.085 -24.283 -25.524 1.00 1.55 O ATOM 0 H SER A 50 16.419 -25.372 -24.681 1.00 60.41 H new ATOM 0 HA SER A 50 16.077 -22.841 -23.254 1.00 31.40 H new ATOM 0 HB2 SER A 50 14.465 -22.346 -24.939 1.00 21.21 H new ATOM 0 HB3 SER A 50 15.780 -23.143 -25.780 1.00 21.21 H new ATOM 0 HG SER A 50 13.708 -23.996 -26.382 1.00 1.55 H new ATOM 758 N LYS A 51 14.145 -23.366 -21.794 1.00 50.11 N ATOM 759 CA LYS A 51 13.109 -23.712 -20.828 1.00 53.34 C ATOM 760 C LYS A 51 11.966 -22.702 -20.872 1.00 32.50 C ATOM 761 O LYS A 51 12.181 -21.516 -21.123 1.00 73.32 O ATOM 762 CB LYS A 51 13.697 -23.771 -19.417 1.00 62.10 C ATOM 763 CG LYS A 51 12.706 -24.234 -18.364 1.00 12.15 C ATOM 764 CD LYS A 51 13.412 -24.741 -17.118 1.00 23.43 C ATOM 765 CE LYS A 51 13.730 -23.607 -16.156 1.00 14.24 C ATOM 766 NZ LYS A 51 12.577 -23.296 -15.266 1.00 10.44 N ATOM 0 H LYS A 51 14.562 -22.446 -21.653 1.00 50.11 H new ATOM 0 HA LYS A 51 12.715 -24.693 -21.091 1.00 53.34 H new ATOM 0 HB2 LYS A 51 14.554 -24.444 -19.418 1.00 62.10 H new ATOM 0 HB3 LYS A 51 14.068 -22.783 -19.145 1.00 62.10 H new ATOM 0 HG2 LYS A 51 12.044 -23.409 -18.098 1.00 12.15 H new ATOM 0 HG3 LYS A 51 12.080 -25.025 -18.776 1.00 12.15 H new ATOM 0 HD2 LYS A 51 12.784 -25.478 -16.618 1.00 23.43 H new ATOM 0 HD3 LYS A 51 14.334 -25.248 -17.402 1.00 23.43 H new ATOM 0 HE2 LYS A 51 14.595 -23.877 -15.550 1.00 14.24 H new ATOM 0 HE3 LYS A 51 14.003 -22.716 -16.722 1.00 14.24 H new ATOM 0 HZ1 LYS A 51 12.680 -22.332 -14.889 1.00 10.44 H new ATOM 0 HZ2 LYS A 51 11.692 -23.363 -15.808 1.00 10.44 H new ATOM 0 HZ3 LYS A 51 12.553 -23.975 -14.479 1.00 10.44 H new ATOM 780 N CYS A 52 10.751 -23.180 -20.624 1.00 72.35 N ATOM 781 CA CYS A 52 9.574 -22.320 -20.634 1.00 73.32 C ATOM 782 C CYS A 52 9.201 -21.892 -19.218 1.00 20.23 C ATOM 783 O CYS A 52 9.031 -22.728 -18.330 1.00 13.54 O ATOM 784 CB CYS A 52 8.394 -23.043 -21.288 1.00 12.35 C ATOM 785 SG CYS A 52 8.791 -23.820 -22.886 1.00 50.05 S ATOM 0 H CYS A 52 10.556 -24.159 -20.414 1.00 72.35 H new ATOM 0 HA CYS A 52 9.811 -21.428 -21.213 1.00 73.32 H new ATOM 0 HB2 CYS A 52 8.027 -23.809 -20.605 1.00 12.35 H new ATOM 0 HB3 CYS A 52 7.582 -22.331 -21.434 1.00 12.35 H new ATOM 790 N VAL A 53 9.076 -20.585 -19.014 1.00 53.42 N ATOM 791 CA VAL A 53 8.722 -20.045 -17.707 1.00 11.21 C ATOM 792 C VAL A 53 7.843 -18.807 -17.843 1.00 40.41 C ATOM 793 O VAL A 53 7.736 -18.224 -18.922 1.00 54.44 O ATOM 794 CB VAL A 53 9.977 -19.683 -16.891 1.00 0.32 C ATOM 795 CG1 VAL A 53 10.726 -20.940 -16.477 1.00 21.13 C ATOM 796 CG2 VAL A 53 10.880 -18.752 -17.687 1.00 34.30 C ATOM 0 H VAL A 53 9.215 -19.880 -19.738 1.00 53.42 H new ATOM 0 HA VAL A 53 8.168 -20.824 -17.182 1.00 11.21 H new ATOM 0 HB VAL A 53 9.663 -19.162 -15.987 1.00 0.32 H new ATOM 0 HG11 VAL A 53 11.610 -20.664 -15.901 1.00 21.13 H new ATOM 0 HG12 VAL A 53 10.076 -21.566 -15.866 1.00 21.13 H new ATOM 0 HG13 VAL A 53 11.030 -21.492 -17.366 1.00 21.13 H new ATOM 0 HG21 VAL A 53 11.762 -18.507 -17.095 1.00 34.30 H new ATOM 0 HG22 VAL A 53 11.188 -19.244 -18.610 1.00 34.30 H new ATOM 0 HG23 VAL A 53 10.338 -17.837 -17.927 1.00 34.30 H new ATOM 806 N CYS A 54 7.216 -18.409 -16.741 1.00 54.03 N ATOM 807 CA CYS A 54 6.345 -17.239 -16.736 1.00 63.40 C ATOM 808 C CYS A 54 7.124 -15.980 -17.106 1.00 30.22 C ATOM 809 O CYS A 54 8.239 -15.766 -16.631 1.00 4.00 O ATOM 810 CB CYS A 54 5.697 -17.066 -15.361 1.00 62.20 C ATOM 811 SG CYS A 54 4.416 -18.304 -14.982 1.00 31.34 S ATOM 0 H CYS A 54 7.295 -18.880 -15.839 1.00 54.03 H new ATOM 0 HA CYS A 54 5.565 -17.394 -17.481 1.00 63.40 H new ATOM 0 HB2 CYS A 54 6.473 -17.116 -14.597 1.00 62.20 H new ATOM 0 HB3 CYS A 54 5.255 -16.071 -15.302 1.00 62.20 H new ATOM 816 N ARG A 55 6.528 -15.151 -17.956 1.00 14.21 N ATOM 817 CA ARG A 55 7.165 -13.914 -18.390 1.00 40.33 C ATOM 818 C ARG A 55 6.152 -12.774 -18.457 1.00 21.41 C ATOM 819 O ARG A 55 4.943 -13.004 -18.447 1.00 73.51 O ATOM 820 CB ARG A 55 7.822 -14.107 -19.758 1.00 42.43 C ATOM 821 CG ARG A 55 8.875 -15.203 -19.779 1.00 74.12 C ATOM 822 CD ARG A 55 10.147 -14.768 -19.069 1.00 51.21 C ATOM 823 NE ARG A 55 11.315 -15.510 -19.535 1.00 41.13 N ATOM 824 CZ ARG A 55 12.542 -15.323 -19.061 1.00 52.22 C ATOM 825 NH1 ARG A 55 12.759 -14.423 -18.112 1.00 42.11 N ATOM 826 NH2 ARG A 55 13.554 -16.037 -19.536 1.00 61.22 N ATOM 0 H ARG A 55 5.605 -15.314 -18.358 1.00 14.21 H new ATOM 0 HA ARG A 55 7.931 -13.654 -17.659 1.00 40.33 H new ATOM 0 HB2 ARG A 55 7.051 -14.342 -20.492 1.00 42.43 H new ATOM 0 HB3 ARG A 55 8.281 -13.168 -20.067 1.00 42.43 H new ATOM 0 HG2 ARG A 55 8.479 -16.099 -19.301 1.00 74.12 H new ATOM 0 HG3 ARG A 55 9.106 -15.468 -20.811 1.00 74.12 H new ATOM 0 HD2 ARG A 55 10.306 -13.702 -19.231 1.00 51.21 H new ATOM 0 HD3 ARG A 55 10.030 -14.913 -17.995 1.00 51.21 H new ATOM 0 HE ARG A 55 11.182 -16.210 -20.264 1.00 41.13 H new ATOM 0 HH11 ARG A 55 11.983 -13.872 -17.744 1.00 42.11 H new ATOM 0 HH12 ARG A 55 13.702 -14.281 -17.750 1.00 42.11 H new ATOM 0 HH21 ARG A 55 13.391 -16.730 -20.266 1.00 61.22 H new ATOM 0 HH22 ARG A 55 14.496 -15.893 -19.171 1.00 61.22 H new ATOM 840 N ASP A 56 6.654 -11.546 -18.524 1.00 23.51 N ATOM 841 CA ASP A 56 5.794 -10.371 -18.593 1.00 32.14 C ATOM 842 C ASP A 56 5.367 -10.094 -20.031 1.00 13.45 C ATOM 843 O ASP A 56 6.204 -9.882 -20.908 1.00 72.11 O ATOM 844 CB ASP A 56 6.514 -9.151 -18.017 1.00 1.12 C ATOM 845 CG ASP A 56 7.724 -8.752 -18.839 1.00 10.34 C ATOM 846 OD1 ASP A 56 8.812 -9.318 -18.605 1.00 41.23 O ATOM 847 OD2 ASP A 56 7.583 -7.872 -19.715 1.00 32.54 O ATOM 0 H ASP A 56 7.653 -11.339 -18.532 1.00 23.51 H new ATOM 0 HA ASP A 56 4.901 -10.569 -18.000 1.00 32.14 H new ATOM 0 HB2 ASP A 56 5.819 -8.312 -17.968 1.00 1.12 H new ATOM 0 HB3 ASP A 56 6.827 -9.366 -16.995 1.00 1.12 H new ATOM 852 N VAL A 57 4.058 -10.097 -20.265 1.00 63.11 N ATOM 853 CA VAL A 57 3.520 -9.846 -21.596 1.00 54.34 C ATOM 854 C VAL A 57 2.825 -8.490 -21.661 1.00 75.31 C ATOM 855 O VAL A 57 1.989 -8.251 -22.532 1.00 54.22 O ATOM 856 CB VAL A 57 2.522 -10.942 -22.015 1.00 21.35 C ATOM 857 CG1 VAL A 57 3.250 -12.247 -22.297 1.00 25.52 C ATOM 858 CG2 VAL A 57 1.462 -11.135 -20.941 1.00 20.24 C ATOM 0 H VAL A 57 3.351 -10.270 -19.550 1.00 63.11 H new ATOM 0 HA VAL A 57 4.365 -9.852 -22.285 1.00 54.34 H new ATOM 0 HB VAL A 57 2.025 -10.626 -22.932 1.00 21.35 H new ATOM 0 HG11 VAL A 57 2.529 -13.010 -22.592 1.00 25.52 H new ATOM 0 HG12 VAL A 57 3.968 -12.096 -23.103 1.00 25.52 H new ATOM 0 HG13 VAL A 57 3.775 -12.572 -21.399 1.00 25.52 H new ATOM 0 HG21 VAL A 57 0.765 -11.913 -21.253 1.00 20.24 H new ATOM 0 HG22 VAL A 57 1.940 -11.430 -20.007 1.00 20.24 H new ATOM 0 HG23 VAL A 57 0.920 -10.201 -20.792 1.00 20.24 H new TER 868 VAL A 57