USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 SER OG : rot 60:sc= 1.07 USER MOD Set 1.2: A 48 ASN : amide:sc= -2.81 X(o=-1.7,f=-1.7!) USER MOD Set 2.1: A 2 SER OG : rot -20:sc= -4.31! USER MOD Set 2.2: A 17 THR OG1 : rot 5:sc= -2.44! USER MOD Single : A 2ALYS NZ :NH3+ 157:sc= -0.0731 (180deg=-0.486) USER MOD Single : A 5 LYS NZ :NH3+ -159:sc= -0.897 (180deg=-2.2!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0913 USER MOD Single : A 10 SER OG : rot 56:sc= 0.568 USER MOD Single : A 11 SER OG : rot -149:sc= 0.966 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.694 K(o=-0.69,f=0.019) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 136:sc= -0.805 USER MOD Single : A 56 SER OG : rot 99:sc= 0.458 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 139 SER OG : rot -25:sc= 0.36 USER MOD Single : A 140 HIS : no HD1:sc= -3.51 K(o=-3.5,f=-7.7!) USER MOD Single : A 143 LYS NZ :NH3+ 165:sc= 0.00154 (180deg=-0.157) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 4.754 11.146 4.434 1.00 0.00 N ATOM 11 CA SER A 2 4.477 9.741 4.727 1.00 0.00 C ATOM 12 C SER A 2 5.706 9.061 5.317 1.00 0.00 C ATOM 13 O SER A 2 6.728 9.703 5.561 1.00 0.00 O ATOM 14 CB SER A 2 4.035 8.998 3.460 1.00 0.00 C ATOM 15 OG SER A 2 4.504 9.652 2.293 1.00 0.00 O ATOM 0 HA SER A 2 3.668 9.706 5.457 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.413 7.976 3.484 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.947 8.935 3.433 1.00 0.00 H new ATOM 0 HG SER A 2 4.726 10.582 2.506 1.00 0.00 H new ATOM 21 N LYS A 2A 5.601 7.756 5.534 1.00 0.00 N ATOM 22 CA LYS A 2A 6.708 6.982 6.085 1.00 0.00 C ATOM 23 C LYS A 2A 7.387 6.174 4.985 1.00 0.00 C ATOM 24 O LYS A 2A 8.396 6.601 4.426 1.00 0.00 O ATOM 25 CB LYS A 2A 6.227 6.057 7.212 1.00 0.00 C ATOM 26 CG LYS A 2A 4.766 5.647 7.104 1.00 0.00 C ATOM 27 CD LYS A 2A 3.844 6.701 7.695 1.00 0.00 C ATOM 28 CE LYS A 2A 2.465 6.132 7.990 1.00 0.00 C ATOM 29 NZ LYS A 2A 2.506 5.101 9.064 1.00 0.00 N ATOM 0 H LYS A 2A 4.762 7.211 5.337 1.00 0.00 H new ATOM 0 HA LYS A 2A 7.433 7.678 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 6.845 5.159 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 6.382 6.557 8.168 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 4.510 5.484 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 4.614 4.699 7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 4.281 7.094 8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 3.753 7.537 7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 1.796 6.939 8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 2.052 5.693 7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 1.567 5.021 9.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 2.776 4.184 8.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 3.204 5.377 9.784 1.00 0.00 H new ATOM 43 N LEU A 2B 6.820 5.013 4.673 1.00 0.00 N ATOM 44 CA LEU A 2B 7.359 4.145 3.632 1.00 0.00 C ATOM 45 C LEU A 2B 8.846 3.858 3.853 1.00 0.00 C ATOM 46 O LEU A 2B 9.200 2.851 4.462 1.00 0.00 O ATOM 47 CB LEU A 2B 7.130 4.767 2.251 1.00 0.00 C ATOM 48 CG LEU A 2B 5.736 4.539 1.655 1.00 0.00 C ATOM 49 CD1 LEU A 2B 5.439 3.051 1.530 1.00 0.00 C ATOM 50 CD2 LEU A 2B 4.670 5.235 2.495 1.00 0.00 C ATOM 0 H LEU A 2B 5.983 4.650 5.129 1.00 0.00 H new ATOM 0 HA LEU A 2B 6.830 3.193 3.683 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 7.307 5.840 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.872 4.365 1.562 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.718 4.973 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 4.445 2.913 1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 6.180 2.586 0.880 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 5.480 2.588 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 3.688 5.061 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 4.689 4.837 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 4.870 6.306 2.522 1.00 0.00 H new ATOM 62 N GLU A 3 9.705 4.755 3.357 1.00 0.00 N ATOM 63 CA GLU A 3 11.163 4.625 3.484 1.00 0.00 C ATOM 64 C GLU A 3 11.763 3.938 2.260 1.00 0.00 C ATOM 65 O GLU A 3 12.448 4.574 1.459 1.00 0.00 O ATOM 66 CB GLU A 3 11.569 3.870 4.757 1.00 0.00 C ATOM 67 CG GLU A 3 10.962 4.440 6.031 1.00 0.00 C ATOM 68 CD GLU A 3 11.621 5.736 6.460 1.00 0.00 C ATOM 69 OE1 GLU A 3 11.162 6.810 6.018 1.00 0.00 O ATOM 70 OE2 GLU A 3 12.597 5.677 7.237 1.00 0.00 O ATOM 0 H GLU A 3 9.410 5.593 2.856 1.00 0.00 H new ATOM 0 HA GLU A 3 11.560 5.638 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.271 2.826 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.655 3.884 4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.897 4.612 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.054 3.707 6.833 1.00 0.00 H new ATOM 77 N GLY A 4 11.510 2.638 2.115 1.00 0.00 N ATOM 78 CA GLY A 4 12.049 1.911 0.978 1.00 0.00 C ATOM 79 C GLY A 4 11.405 0.552 0.770 1.00 0.00 C ATOM 80 O GLY A 4 11.467 -0.313 1.644 1.00 0.00 O ATOM 0 H GLY A 4 10.947 2.081 2.758 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.915 2.510 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.122 1.779 1.116 1.00 0.00 H new ATOM 84 N LYS A 5 10.801 0.363 -0.402 1.00 0.00 N ATOM 85 CA LYS A 5 10.154 -0.902 -0.746 1.00 0.00 C ATOM 86 C LYS A 5 10.277 -1.179 -2.237 1.00 0.00 C ATOM 87 O LYS A 5 11.086 -2.002 -2.667 1.00 0.00 O ATOM 88 CB LYS A 5 8.673 -0.884 -0.363 1.00 0.00 C ATOM 89 CG LYS A 5 8.426 -0.885 1.133 1.00 0.00 C ATOM 90 CD LYS A 5 7.691 0.369 1.577 1.00 0.00 C ATOM 91 CE LYS A 5 8.366 1.027 2.769 1.00 0.00 C ATOM 92 NZ LYS A 5 9.059 0.043 3.647 1.00 0.00 N ATOM 0 H LYS A 5 10.746 1.073 -1.132 1.00 0.00 H new ATOM 0 HA LYS A 5 10.658 -1.690 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.206 -0.000 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.183 -1.753 -0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.844 -1.765 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.378 -0.956 1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.646 1.076 0.749 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.663 0.115 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.087 1.763 2.413 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.620 1.567 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.190 0.454 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.485 -0.821 3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.987 -0.192 3.240 1.00 0.00 H new ATOM 106 N THR A 6 9.453 -0.490 -3.020 1.00 0.00 N ATOM 107 CA THR A 6 9.442 -0.653 -4.466 1.00 0.00 C ATOM 108 C THR A 6 8.325 0.178 -5.083 1.00 0.00 C ATOM 109 O THR A 6 7.348 0.516 -4.415 1.00 0.00 O ATOM 110 CB THR A 6 9.261 -2.129 -4.835 1.00 0.00 C ATOM 111 OG1 THR A 6 8.714 -2.263 -6.136 1.00 0.00 O ATOM 112 CG2 THR A 6 8.359 -2.882 -3.876 1.00 0.00 C ATOM 0 H THR A 6 8.779 0.192 -2.671 1.00 0.00 H new ATOM 0 HA THR A 6 10.398 -0.307 -4.860 1.00 0.00 H new ATOM 0 HB THR A 6 10.261 -2.561 -4.783 1.00 0.00 H new ATOM 0 HG1 THR A 6 8.609 -3.213 -6.350 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.274 -3.921 -4.196 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.783 -2.845 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.371 -2.422 -3.869 1.00 0.00 H new ATOM 120 N CYS A 7 8.476 0.506 -6.359 1.00 0.00 N ATOM 121 CA CYS A 7 7.478 1.299 -7.064 1.00 0.00 C ATOM 122 C CYS A 7 7.467 0.940 -8.550 1.00 0.00 C ATOM 123 O CYS A 7 7.834 1.753 -9.398 1.00 0.00 O ATOM 124 CB CYS A 7 7.753 2.803 -6.889 1.00 0.00 C ATOM 125 SG CYS A 7 8.984 3.219 -5.605 1.00 0.00 S ATOM 0 H CYS A 7 9.279 0.236 -6.927 1.00 0.00 H new ATOM 0 HA CYS A 7 6.501 1.073 -6.637 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.093 3.208 -7.842 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.815 3.303 -6.647 1.00 0.00 H new ATOM 130 N GLY A 8 7.057 -0.288 -8.862 1.00 0.00 N ATOM 131 CA GLY A 8 7.029 -0.720 -10.247 1.00 0.00 C ATOM 132 C GLY A 8 5.799 -1.538 -10.602 1.00 0.00 C ATOM 133 O GLY A 8 4.964 -1.090 -11.387 1.00 0.00 O ATOM 0 H GLY A 8 6.746 -0.985 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.072 0.156 -10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.921 -1.312 -10.453 1.00 0.00 H new ATOM 137 N PRO A 9 5.664 -2.757 -10.052 1.00 0.00 N ATOM 138 CA PRO A 9 4.528 -3.627 -10.343 1.00 0.00 C ATOM 139 C PRO A 9 3.299 -3.310 -9.485 1.00 0.00 C ATOM 140 O PRO A 9 2.511 -2.430 -9.830 1.00 0.00 O ATOM 141 CB PRO A 9 5.085 -5.020 -10.046 1.00 0.00 C ATOM 142 CG PRO A 9 6.120 -4.811 -8.988 1.00 0.00 C ATOM 143 CD PRO A 9 6.615 -3.387 -9.116 1.00 0.00 C ATOM 0 HA PRO A 9 4.164 -3.511 -11.364 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.300 -5.693 -9.701 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.520 -5.469 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.697 -4.983 -7.998 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.942 -5.516 -9.111 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.621 -2.879 -8.152 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.634 -3.353 -9.500 1.00 0.00 H new ATOM 151 N SER A 10 3.132 -4.023 -8.370 1.00 0.00 N ATOM 152 CA SER A 10 1.994 -3.797 -7.489 1.00 0.00 C ATOM 153 C SER A 10 2.300 -2.689 -6.489 1.00 0.00 C ATOM 154 O SER A 10 2.345 -2.922 -5.280 1.00 0.00 O ATOM 155 CB SER A 10 1.630 -5.087 -6.750 1.00 0.00 C ATOM 156 OG SER A 10 2.693 -5.514 -5.916 1.00 0.00 O ATOM 0 H SER A 10 3.769 -4.757 -8.060 1.00 0.00 H new ATOM 0 HA SER A 10 1.145 -3.488 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.735 -4.926 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.393 -5.869 -7.472 1.00 0.00 H new ATOM 0 HG SER A 10 2.930 -4.795 -5.294 1.00 0.00 H new ATOM 162 N SER A 11 2.512 -1.482 -7.001 1.00 0.00 N ATOM 163 CA SER A 11 2.817 -0.340 -6.151 1.00 0.00 C ATOM 164 C SER A 11 2.017 0.888 -6.570 1.00 0.00 C ATOM 165 O SER A 11 1.623 1.023 -7.729 1.00 0.00 O ATOM 166 CB SER A 11 4.313 -0.028 -6.197 1.00 0.00 C ATOM 167 OG SER A 11 5.036 -0.863 -5.309 1.00 0.00 O ATOM 0 H SER A 11 2.478 -1.270 -7.998 1.00 0.00 H new ATOM 0 HA SER A 11 2.536 -0.599 -5.130 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.685 -0.164 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.478 1.017 -5.934 1.00 0.00 H new ATOM 0 HG SER A 11 5.820 -0.381 -4.972 1.00 0.00 H new ATOM 173 N PHE A 12 1.782 1.777 -5.614 1.00 0.00 N ATOM 174 CA PHE A 12 1.028 2.998 -5.866 1.00 0.00 C ATOM 175 C PHE A 12 1.790 4.216 -5.348 1.00 0.00 C ATOM 176 O PHE A 12 2.110 4.299 -4.163 1.00 0.00 O ATOM 177 CB PHE A 12 -0.346 2.908 -5.196 1.00 0.00 C ATOM 178 CG PHE A 12 -1.096 4.210 -5.155 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.574 4.789 -6.319 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.324 4.852 -3.949 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.266 5.986 -6.281 1.00 0.00 C ATOM 182 CE2 PHE A 12 -2.014 6.047 -3.904 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.486 6.615 -5.071 1.00 0.00 C ATOM 0 H PHE A 12 2.105 1.674 -4.652 1.00 0.00 H new ATOM 0 HA PHE A 12 0.893 3.110 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.949 2.170 -5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.218 2.543 -4.177 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.404 4.300 -7.267 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.958 4.413 -3.033 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.634 6.428 -7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.185 6.537 -2.957 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.026 7.550 -5.038 1.00 0.00 H new ATOM 193 N SER A 13 2.075 5.157 -6.240 1.00 0.00 N ATOM 194 CA SER A 13 2.796 6.368 -5.863 1.00 0.00 C ATOM 195 C SER A 13 1.946 7.235 -4.942 1.00 0.00 C ATOM 196 O SER A 13 0.864 7.681 -5.322 1.00 0.00 O ATOM 197 CB SER A 13 3.193 7.161 -7.108 1.00 0.00 C ATOM 198 OG SER A 13 3.716 8.431 -6.758 1.00 0.00 O ATOM 0 H SER A 13 1.819 5.106 -7.226 1.00 0.00 H new ATOM 0 HA SER A 13 3.699 6.074 -5.329 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.936 6.602 -7.677 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.325 7.287 -7.755 1.00 0.00 H new ATOM 0 HG SER A 13 3.964 8.918 -7.571 1.00 0.00 H new ATOM 204 N CYS A 14 2.440 7.466 -3.730 1.00 0.00 N ATOM 205 CA CYS A 14 1.719 8.277 -2.754 1.00 0.00 C ATOM 206 C CYS A 14 1.458 9.683 -3.296 1.00 0.00 C ATOM 207 O CYS A 14 2.380 10.486 -3.434 1.00 0.00 O ATOM 208 CB CYS A 14 2.504 8.356 -1.441 1.00 0.00 C ATOM 209 SG CYS A 14 1.972 7.159 -0.169 1.00 0.00 S ATOM 0 H CYS A 14 3.335 7.104 -3.400 1.00 0.00 H new ATOM 0 HA CYS A 14 0.758 7.799 -2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.561 8.195 -1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.410 9.364 -1.036 1.00 0.00 H new ATOM 214 N PRO A 15 0.190 9.996 -3.612 1.00 0.00 N ATOM 215 CA PRO A 15 -0.197 11.307 -4.143 1.00 0.00 C ATOM 216 C PRO A 15 0.314 12.462 -3.290 1.00 0.00 C ATOM 217 O PRO A 15 0.222 12.431 -2.063 1.00 0.00 O ATOM 218 CB PRO A 15 -1.725 11.265 -4.114 1.00 0.00 C ATOM 219 CG PRO A 15 -2.068 9.819 -4.195 1.00 0.00 C ATOM 220 CD PRO A 15 -0.966 9.092 -3.477 1.00 0.00 C ATOM 0 HA PRO A 15 0.224 11.479 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.116 11.713 -3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.152 11.820 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.034 9.620 -3.731 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.140 9.492 -5.232 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.217 8.915 -2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.769 8.119 -3.926 1.00 0.00 H new ATOM 228 N GLY A 16 0.848 13.484 -3.952 1.00 0.00 N ATOM 229 CA GLY A 16 1.361 14.642 -3.244 1.00 0.00 C ATOM 230 C GLY A 16 2.759 14.432 -2.689 1.00 0.00 C ATOM 231 O GLY A 16 3.360 15.361 -2.149 1.00 0.00 O ATOM 0 H GLY A 16 0.934 13.530 -4.967 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.370 15.498 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.685 14.888 -2.425 1.00 0.00 H new ATOM 235 N THR A 17 3.280 13.215 -2.815 1.00 0.00 N ATOM 236 CA THR A 17 4.612 12.904 -2.313 1.00 0.00 C ATOM 237 C THR A 17 5.344 11.947 -3.247 1.00 0.00 C ATOM 238 O THR A 17 4.772 10.971 -3.730 1.00 0.00 O ATOM 239 CB THR A 17 4.518 12.295 -0.914 1.00 0.00 C ATOM 240 OG1 THR A 17 3.613 11.206 -0.901 1.00 0.00 O ATOM 241 CG2 THR A 17 4.062 13.283 0.135 1.00 0.00 C ATOM 0 H THR A 17 2.801 12.431 -3.259 1.00 0.00 H new ATOM 0 HA THR A 17 5.179 13.834 -2.265 1.00 0.00 H new ATOM 0 HB THR A 17 5.529 11.970 -0.670 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.300 11.030 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.016 12.788 1.105 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.767 14.113 0.184 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.074 13.661 -0.127 1.00 0.00 H new ATOM 249 N HIS A 18 6.619 12.233 -3.491 1.00 0.00 N ATOM 250 CA HIS A 18 7.442 11.398 -4.359 1.00 0.00 C ATOM 251 C HIS A 18 7.460 9.953 -3.869 1.00 0.00 C ATOM 252 O HIS A 18 7.729 9.029 -4.636 1.00 0.00 O ATOM 253 CB HIS A 18 8.869 11.945 -4.414 1.00 0.00 C ATOM 254 CG HIS A 18 9.455 12.212 -3.062 1.00 0.00 C ATOM 255 ND1 HIS A 18 10.263 11.326 -2.385 1.00 0.00 N ATOM 256 CD2 HIS A 18 9.331 13.296 -2.254 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.596 11.885 -1.214 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.056 13.082 -1.086 1.00 0.00 N ATOM 0 H HIS A 18 7.106 13.039 -3.099 1.00 0.00 H new ATOM 0 HA HIS A 18 7.009 11.417 -5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.503 11.233 -4.943 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.874 12.868 -4.993 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.760 14.184 -2.482 1.00 0.00 H new ATOM 0 HE1 HIS A 18 11.225 11.417 -0.471 1.00 0.00 H new ATOM 0 HE2 HIS A 18 10.150 13.719 -0.295 1.00 0.00 H new ATOM 266 N VAL A 19 7.173 9.769 -2.584 1.00 0.00 N ATOM 267 CA VAL A 19 7.154 8.444 -1.979 1.00 0.00 C ATOM 268 C VAL A 19 6.197 7.510 -2.715 1.00 0.00 C ATOM 269 O VAL A 19 5.183 7.946 -3.259 1.00 0.00 O ATOM 270 CB VAL A 19 6.744 8.528 -0.496 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.379 9.186 -0.353 1.00 0.00 C ATOM 272 CG2 VAL A 19 6.753 7.149 0.145 1.00 0.00 C ATOM 0 H VAL A 19 6.949 10.527 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 19 8.164 8.040 -2.053 1.00 0.00 H new ATOM 0 HB VAL A 19 7.474 9.146 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.108 9.236 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.416 10.194 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.634 8.600 -0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.460 7.232 1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.050 6.500 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.755 6.725 0.081 1.00 0.00 H new ATOM 282 N CYS A 20 6.527 6.220 -2.724 1.00 0.00 N ATOM 283 CA CYS A 20 5.695 5.223 -3.388 1.00 0.00 C ATOM 284 C CYS A 20 5.181 4.189 -2.392 1.00 0.00 C ATOM 285 O CYS A 20 5.961 3.495 -1.740 1.00 0.00 O ATOM 286 CB CYS A 20 6.476 4.531 -4.507 1.00 0.00 C ATOM 287 SG CYS A 20 7.874 3.516 -3.930 1.00 0.00 S ATOM 0 H CYS A 20 7.364 5.843 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 20 4.838 5.738 -3.822 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.793 3.898 -5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.852 5.289 -5.194 1.00 0.00 H new ATOM 292 N VAL A 21 3.861 4.092 -2.283 1.00 0.00 N ATOM 293 CA VAL A 21 3.235 3.143 -1.372 1.00 0.00 C ATOM 294 C VAL A 21 2.770 1.897 -2.127 1.00 0.00 C ATOM 295 O VAL A 21 1.976 1.990 -3.062 1.00 0.00 O ATOM 296 CB VAL A 21 2.036 3.782 -0.641 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.105 4.463 -1.633 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.284 2.746 0.185 1.00 0.00 C ATOM 0 H VAL A 21 3.203 4.661 -2.816 1.00 0.00 H new ATOM 0 HA VAL A 21 3.982 2.855 -0.632 1.00 0.00 H new ATOM 0 HB VAL A 21 2.421 4.539 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.266 4.908 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.649 5.242 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.732 3.728 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.444 3.223 0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.913 1.958 -0.470 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.956 2.315 0.927 1.00 0.00 H new ATOM 308 N PRO A 22 3.267 0.712 -1.735 1.00 0.00 N ATOM 309 CA PRO A 22 2.905 -0.552 -2.387 1.00 0.00 C ATOM 310 C PRO A 22 1.405 -0.824 -2.353 1.00 0.00 C ATOM 311 O PRO A 22 0.691 -0.317 -1.487 1.00 0.00 O ATOM 312 CB PRO A 22 3.655 -1.608 -1.571 1.00 0.00 C ATOM 313 CG PRO A 22 4.764 -0.864 -0.913 1.00 0.00 C ATOM 314 CD PRO A 22 4.226 0.507 -0.636 1.00 0.00 C ATOM 0 HA PRO A 22 3.167 -0.545 -3.445 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.002 -2.076 -0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.037 -2.404 -2.210 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.073 -1.357 0.009 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.641 -0.817 -1.559 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.741 0.561 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.015 1.259 -0.642 1.00 0.00 H new ATOM 322 N GLU A 23 0.935 -1.634 -3.298 1.00 0.00 N ATOM 323 CA GLU A 23 -0.480 -1.982 -3.375 1.00 0.00 C ATOM 324 C GLU A 23 -0.938 -2.653 -2.086 1.00 0.00 C ATOM 325 O GLU A 23 -2.069 -2.463 -1.642 1.00 0.00 O ATOM 326 CB GLU A 23 -0.737 -2.903 -4.569 1.00 0.00 C ATOM 327 CG GLU A 23 -1.988 -2.545 -5.354 1.00 0.00 C ATOM 328 CD GLU A 23 -2.075 -3.275 -6.680 1.00 0.00 C ATOM 329 OE1 GLU A 23 -1.189 -3.061 -7.534 1.00 0.00 O ATOM 330 OE2 GLU A 23 -3.028 -4.060 -6.864 1.00 0.00 O ATOM 0 H GLU A 23 1.514 -2.061 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.052 -1.064 -3.510 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.124 -2.867 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.822 -3.930 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.868 -2.781 -4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.004 -1.470 -5.534 1.00 0.00 H new ATOM 337 N ARG A 24 -0.046 -3.428 -1.480 1.00 0.00 N ATOM 338 CA ARG A 24 -0.355 -4.111 -0.232 1.00 0.00 C ATOM 339 C ARG A 24 -0.506 -3.094 0.897 1.00 0.00 C ATOM 340 O ARG A 24 -1.092 -3.389 1.939 1.00 0.00 O ATOM 341 CB ARG A 24 0.747 -5.131 0.099 1.00 0.00 C ATOM 342 CG ARG A 24 0.905 -5.445 1.584 1.00 0.00 C ATOM 343 CD ARG A 24 -0.159 -6.415 2.067 1.00 0.00 C ATOM 344 NE ARG A 24 -0.942 -5.873 3.174 1.00 0.00 N ATOM 345 CZ ARG A 24 -1.774 -6.601 3.917 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.931 -7.896 3.671 1.00 0.00 N ATOM 347 NH2 ARG A 24 -2.450 -6.035 4.907 1.00 0.00 N ATOM 0 H ARG A 24 0.896 -3.598 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.298 -4.647 -0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.536 -6.058 -0.433 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.697 -4.755 -0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.893 -5.869 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.845 -4.522 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.825 -6.661 1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.316 -7.344 2.382 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.846 -4.881 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.414 -8.337 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.569 -8.450 4.242 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.333 -5.040 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.087 -6.594 5.475 1.00 0.00 H new ATOM 361 N TRP A 25 0.034 -1.898 0.683 1.00 0.00 N ATOM 362 CA TRP A 25 -0.031 -0.842 1.681 1.00 0.00 C ATOM 363 C TRP A 25 -1.195 0.109 1.411 1.00 0.00 C ATOM 364 O TRP A 25 -1.284 1.178 2.014 1.00 0.00 O ATOM 365 CB TRP A 25 1.288 -0.072 1.706 1.00 0.00 C ATOM 366 CG TRP A 25 2.445 -0.900 2.177 1.00 0.00 C ATOM 367 CD1 TRP A 25 2.602 -2.250 2.041 1.00 0.00 C ATOM 368 CD2 TRP A 25 3.608 -0.429 2.863 1.00 0.00 C ATOM 369 NE1 TRP A 25 3.792 -2.646 2.602 1.00 0.00 N ATOM 370 CE2 TRP A 25 4.428 -1.545 3.113 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.035 0.830 3.290 1.00 0.00 C ATOM 372 CZ2 TRP A 25 5.650 -1.439 3.771 1.00 0.00 C ATOM 373 CZ3 TRP A 25 5.247 0.935 3.943 1.00 0.00 C ATOM 374 CH2 TRP A 25 6.043 -0.194 4.178 1.00 0.00 C ATOM 0 H TRP A 25 0.521 -1.638 -0.174 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.199 -1.303 2.654 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.501 0.303 0.705 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.182 0.796 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 25 1.894 -2.910 1.562 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.144 -3.603 2.633 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.428 1.706 3.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 6.265 -2.308 3.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.587 1.904 4.278 1.00 0.00 H new ATOM 0 HH2 TRP A 25 6.986 -0.079 4.691 1.00 0.00 H new ATOM 385 N LEU A 26 -2.091 -0.287 0.510 1.00 0.00 N ATOM 386 CA LEU A 26 -3.250 0.529 0.180 1.00 0.00 C ATOM 387 C LEU A 26 -4.342 0.334 1.225 1.00 0.00 C ATOM 388 O LEU A 26 -4.633 1.235 2.010 1.00 0.00 O ATOM 389 CB LEU A 26 -3.772 0.164 -1.213 1.00 0.00 C ATOM 390 CG LEU A 26 -3.283 1.061 -2.356 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.814 1.418 -2.184 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.506 0.379 -3.697 1.00 0.00 C ATOM 0 H LEU A 26 -2.034 -1.167 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.955 1.578 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.484 -0.864 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.861 0.192 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.861 1.985 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.495 2.055 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.676 1.949 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.216 0.506 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.154 1.028 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.955 -0.561 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.569 0.180 -3.832 1.00 0.00 H new ATOM 404 N CYS A 27 -4.931 -0.856 1.237 1.00 0.00 N ATOM 405 CA CYS A 27 -5.981 -1.180 2.196 1.00 0.00 C ATOM 406 C CYS A 27 -5.432 -2.071 3.307 1.00 0.00 C ATOM 407 O CYS A 27 -6.154 -2.897 3.867 1.00 0.00 O ATOM 408 CB CYS A 27 -7.154 -1.884 1.505 1.00 0.00 C ATOM 409 SG CYS A 27 -7.512 -1.294 -0.181 1.00 0.00 S ATOM 0 H CYS A 27 -4.700 -1.613 0.594 1.00 0.00 H new ATOM 0 HA CYS A 27 -6.339 -0.246 2.629 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.945 -2.953 1.464 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.047 -1.757 2.117 1.00 0.00 H new ATOM 414 N ASP A 28 -4.150 -1.902 3.615 1.00 0.00 N ATOM 415 CA ASP A 28 -3.501 -2.695 4.653 1.00 0.00 C ATOM 416 C ASP A 28 -4.100 -2.387 6.024 1.00 0.00 C ATOM 417 O ASP A 28 -4.115 -3.241 6.911 1.00 0.00 O ATOM 418 CB ASP A 28 -1.983 -2.439 4.641 1.00 0.00 C ATOM 419 CG ASP A 28 -1.489 -1.640 5.837 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.554 -2.165 6.969 1.00 0.00 O ATOM 421 OD2 ASP A 28 -1.035 -0.494 5.639 1.00 0.00 O ATOM 0 H ASP A 28 -3.540 -1.223 3.160 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.674 -3.751 4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.462 -3.396 4.614 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.720 -1.907 3.726 1.00 0.00 H new ATOM 426 N GLY A 29 -4.590 -1.163 6.189 1.00 0.00 N ATOM 427 CA GLY A 29 -5.180 -0.766 7.452 1.00 0.00 C ATOM 428 C GLY A 29 -4.377 0.313 8.153 1.00 0.00 C ATOM 429 O GLY A 29 -4.187 0.267 9.368 1.00 0.00 O ATOM 0 H GLY A 29 -4.589 -0.439 5.470 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.194 -0.405 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.258 -1.637 8.103 1.00 0.00 H new ATOM 433 N ASP A 30 -3.904 1.286 7.381 1.00 0.00 N ATOM 434 CA ASP A 30 -3.114 2.386 7.924 1.00 0.00 C ATOM 435 C ASP A 30 -2.700 3.348 6.814 1.00 0.00 C ATOM 436 O ASP A 30 -1.997 2.966 5.880 1.00 0.00 O ATOM 437 CB ASP A 30 -1.874 1.850 8.642 1.00 0.00 C ATOM 438 CG ASP A 30 -2.051 1.810 10.148 1.00 0.00 C ATOM 439 OD1 ASP A 30 -2.754 2.691 10.686 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.485 0.900 10.788 1.00 0.00 O ATOM 0 H ASP A 30 -4.055 1.335 6.373 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.730 2.926 8.643 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.652 0.847 8.278 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.016 2.476 8.396 1.00 0.00 H new ATOM 445 N LYS A 31 -3.146 4.596 6.921 1.00 0.00 N ATOM 446 CA LYS A 31 -2.827 5.611 5.922 1.00 0.00 C ATOM 447 C LYS A 31 -1.321 5.775 5.759 1.00 0.00 C ATOM 448 O LYS A 31 -0.698 6.607 6.418 1.00 0.00 O ATOM 449 CB LYS A 31 -3.457 6.949 6.305 1.00 0.00 C ATOM 450 CG LYS A 31 -4.975 6.918 6.320 1.00 0.00 C ATOM 451 CD LYS A 31 -5.557 8.272 6.691 1.00 0.00 C ATOM 452 CE LYS A 31 -6.769 8.612 5.839 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.942 8.997 6.671 1.00 0.00 N ATOM 0 H LYS A 31 -3.729 4.929 7.689 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.238 5.279 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.097 7.243 7.291 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.123 7.713 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.343 6.619 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.317 6.167 7.031 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.840 8.271 7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.796 9.042 6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.520 9.430 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.029 7.754 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.748 9.221 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.196 8.208 7.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.702 9.831 7.244 1.00 0.00 H new ATOM 467 N ASP A 32 -0.748 4.977 4.868 1.00 0.00 N ATOM 468 CA ASP A 32 0.681 5.027 4.599 1.00 0.00 C ATOM 469 C ASP A 32 1.070 6.378 4.010 1.00 0.00 C ATOM 470 O ASP A 32 2.108 6.944 4.354 1.00 0.00 O ATOM 471 CB ASP A 32 1.071 3.909 3.634 1.00 0.00 C ATOM 472 CG ASP A 32 0.845 2.530 4.224 1.00 0.00 C ATOM 473 OD1 ASP A 32 -0.313 2.058 4.205 1.00 0.00 O ATOM 474 OD2 ASP A 32 1.824 1.921 4.703 1.00 0.00 O ATOM 0 H ASP A 32 -1.255 4.284 4.317 1.00 0.00 H new ATOM 0 HA ASP A 32 1.214 4.891 5.540 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.492 4.007 2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.121 4.017 3.362 1.00 0.00 H new ATOM 479 N CYS A 33 0.227 6.886 3.118 1.00 0.00 N ATOM 480 CA CYS A 33 0.471 8.170 2.474 1.00 0.00 C ATOM 481 C CYS A 33 0.264 9.319 3.455 1.00 0.00 C ATOM 482 O CYS A 33 0.027 9.102 4.643 1.00 0.00 O ATOM 483 CB CYS A 33 -0.458 8.344 1.269 1.00 0.00 C ATOM 484 SG CYS A 33 -0.057 7.287 -0.165 1.00 0.00 S ATOM 0 H CYS A 33 -0.634 6.426 2.824 1.00 0.00 H new ATOM 0 HA CYS A 33 1.507 8.186 2.134 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.480 8.134 1.583 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.429 9.387 0.953 1.00 0.00 H new ATOM 489 N ALA A 34 0.359 10.544 2.947 1.00 0.00 N ATOM 490 CA ALA A 34 0.187 11.732 3.772 1.00 0.00 C ATOM 491 C ALA A 34 -1.260 11.894 4.225 1.00 0.00 C ATOM 492 O ALA A 34 -1.525 12.193 5.389 1.00 0.00 O ATOM 493 CB ALA A 34 0.640 12.965 3.007 1.00 0.00 C ATOM 0 H ALA A 34 0.555 10.739 1.965 1.00 0.00 H new ATOM 0 HA ALA A 34 0.802 11.615 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.508 13.849 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.692 12.862 2.741 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.045 13.069 2.100 1.00 0.00 H new ATOM 499 N ASP A 35 -2.194 11.704 3.298 1.00 0.00 N ATOM 500 CA ASP A 35 -3.614 11.839 3.610 1.00 0.00 C ATOM 501 C ASP A 35 -4.357 10.522 3.410 1.00 0.00 C ATOM 502 O ASP A 35 -5.548 10.515 3.099 1.00 0.00 O ATOM 503 CB ASP A 35 -4.245 12.928 2.740 1.00 0.00 C ATOM 504 CG ASP A 35 -4.191 14.294 3.396 1.00 0.00 C ATOM 505 OD1 ASP A 35 -4.944 14.516 4.368 1.00 0.00 O ATOM 506 OD2 ASP A 35 -3.396 15.142 2.938 1.00 0.00 O ATOM 0 H ASP A 35 -1.995 11.457 2.329 1.00 0.00 H new ATOM 0 HA ASP A 35 -3.698 12.120 4.660 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.729 12.968 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.283 12.668 2.533 1.00 0.00 H new ATOM 511 N GLY A 36 -3.654 9.410 3.594 1.00 0.00 N ATOM 512 CA GLY A 36 -4.278 8.109 3.432 1.00 0.00 C ATOM 513 C GLY A 36 -4.658 7.816 1.997 1.00 0.00 C ATOM 514 O GLY A 36 -5.570 7.031 1.739 1.00 0.00 O ATOM 0 H GLY A 36 -2.667 9.385 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.596 7.337 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.170 8.058 4.057 1.00 0.00 H new ATOM 518 N ALA A 37 -3.953 8.439 1.059 1.00 0.00 N ATOM 519 CA ALA A 37 -4.222 8.226 -0.357 1.00 0.00 C ATOM 520 C ALA A 37 -4.156 6.742 -0.694 1.00 0.00 C ATOM 521 O ALA A 37 -4.919 6.246 -1.524 1.00 0.00 O ATOM 522 CB ALA A 37 -3.235 9.008 -1.204 1.00 0.00 C ATOM 0 H ALA A 37 -3.194 9.093 1.253 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.228 8.584 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.448 8.839 -2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.326 10.071 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.221 8.676 -0.981 1.00 0.00 H new ATOM 528 N ASP A 38 -3.248 6.035 -0.028 1.00 0.00 N ATOM 529 CA ASP A 38 -3.088 4.602 -0.237 1.00 0.00 C ATOM 530 C ASP A 38 -4.383 3.879 0.106 1.00 0.00 C ATOM 531 O ASP A 38 -4.813 2.973 -0.607 1.00 0.00 O ATOM 532 CB ASP A 38 -1.945 4.067 0.625 1.00 0.00 C ATOM 533 CG ASP A 38 -2.194 4.274 2.105 1.00 0.00 C ATOM 534 OD1 ASP A 38 -2.215 5.442 2.545 1.00 0.00 O ATOM 535 OD2 ASP A 38 -2.369 3.268 2.824 1.00 0.00 O ATOM 0 H ASP A 38 -2.611 6.433 0.662 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.849 4.424 -1.285 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.811 3.004 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.017 4.564 0.342 1.00 0.00 H new ATOM 540 N GLU A 39 -5.008 4.304 1.199 1.00 0.00 N ATOM 541 CA GLU A 39 -6.265 3.716 1.638 1.00 0.00 C ATOM 542 C GLU A 39 -7.428 4.296 0.841 1.00 0.00 C ATOM 543 O GLU A 39 -8.494 3.688 0.743 1.00 0.00 O ATOM 544 CB GLU A 39 -6.478 3.964 3.132 1.00 0.00 C ATOM 545 CG GLU A 39 -5.366 3.406 4.005 1.00 0.00 C ATOM 546 CD GLU A 39 -5.800 2.190 4.799 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.321 2.368 5.920 1.00 0.00 O ATOM 548 OE2 GLU A 39 -5.621 1.059 4.300 1.00 0.00 O ATOM 0 H GLU A 39 -4.663 5.055 1.797 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.221 2.641 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.561 5.037 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.425 3.518 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.515 3.140 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.025 4.181 4.692 1.00 0.00 H new ATOM 555 N SER A 40 -7.210 5.476 0.264 1.00 0.00 N ATOM 556 CA SER A 40 -8.230 6.139 -0.533 1.00 0.00 C ATOM 557 C SER A 40 -8.450 5.398 -1.842 1.00 0.00 C ATOM 558 O SER A 40 -7.705 4.479 -2.182 1.00 0.00 O ATOM 559 CB SER A 40 -7.828 7.588 -0.814 1.00 0.00 C ATOM 560 OG SER A 40 -7.663 8.314 0.392 1.00 0.00 O ATOM 0 H SER A 40 -6.332 5.991 0.336 1.00 0.00 H new ATOM 0 HA SER A 40 -9.162 6.135 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.899 7.607 -1.384 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.589 8.067 -1.430 1.00 0.00 H new ATOM 0 HG SER A 40 -6.961 7.895 0.933 1.00 0.00 H new ATOM 566 N ILE A 41 -9.476 5.804 -2.574 1.00 0.00 N ATOM 567 CA ILE A 41 -9.796 5.181 -3.845 1.00 0.00 C ATOM 568 C ILE A 41 -8.784 5.576 -4.917 1.00 0.00 C ATOM 569 O ILE A 41 -8.578 4.849 -5.889 1.00 0.00 O ATOM 570 CB ILE A 41 -11.213 5.561 -4.303 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.665 4.639 -5.430 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.267 7.018 -4.737 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.335 3.375 -4.939 1.00 0.00 C ATOM 0 H ILE A 41 -10.102 6.564 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.752 4.101 -3.701 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.896 5.439 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.356 5.180 -6.077 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.801 4.371 -6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.279 7.265 -5.057 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.985 7.657 -3.901 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.576 7.177 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.631 2.765 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.639 2.813 -4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.218 3.635 -4.355 1.00 0.00 H new ATOM 585 N ALA A 42 -8.150 6.730 -4.726 1.00 0.00 N ATOM 586 CA ALA A 42 -7.150 7.223 -5.666 1.00 0.00 C ATOM 587 C ALA A 42 -6.141 6.133 -6.011 1.00 0.00 C ATOM 588 O ALA A 42 -5.569 6.120 -7.102 1.00 0.00 O ATOM 589 CB ALA A 42 -6.439 8.433 -5.081 1.00 0.00 C ATOM 0 H ALA A 42 -8.312 7.342 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.657 7.517 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.694 8.795 -5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.165 9.222 -4.884 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.948 8.151 -4.150 1.00 0.00 H new ATOM 595 N ALA A 43 -5.931 5.220 -5.070 1.00 0.00 N ATOM 596 CA ALA A 43 -4.996 4.120 -5.260 1.00 0.00 C ATOM 597 C ALA A 43 -5.711 2.877 -5.777 1.00 0.00 C ATOM 598 O ALA A 43 -5.104 2.020 -6.419 1.00 0.00 O ATOM 599 CB ALA A 43 -4.285 3.811 -3.953 1.00 0.00 C ATOM 0 H ALA A 43 -6.399 5.221 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.260 4.421 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.588 2.987 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.738 4.693 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.019 3.531 -3.197 1.00 0.00 H new ATOM 605 N GLY A 44 -7.004 2.782 -5.484 1.00 0.00 N ATOM 606 CA GLY A 44 -7.782 1.639 -5.918 1.00 0.00 C ATOM 607 C GLY A 44 -8.157 0.738 -4.760 1.00 0.00 C ATOM 608 O GLY A 44 -8.204 -0.484 -4.902 1.00 0.00 O ATOM 0 H GLY A 44 -7.527 3.478 -4.953 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.687 1.985 -6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.212 1.069 -6.651 1.00 0.00 H new ATOM 612 N CYS A 45 -8.422 1.346 -3.609 1.00 0.00 N ATOM 613 CA CYS A 45 -8.792 0.596 -2.414 1.00 0.00 C ATOM 614 C CYS A 45 -10.271 0.208 -2.434 1.00 0.00 C ATOM 615 O CYS A 45 -10.762 -0.427 -1.503 1.00 0.00 O ATOM 616 CB CYS A 45 -8.488 1.419 -1.157 1.00 0.00 C ATOM 617 SG CYS A 45 -7.198 0.709 -0.080 1.00 0.00 S ATOM 0 H CYS A 45 -8.387 2.357 -3.478 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.201 -0.319 -2.400 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -8.180 2.420 -1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.406 1.529 -0.579 1.00 0.00 H new ATOM 622 N LEU A 46 -10.979 0.594 -3.494 1.00 0.00 N ATOM 623 CA LEU A 46 -12.400 0.284 -3.620 1.00 0.00 C ATOM 624 C LEU A 46 -13.224 1.037 -2.575 1.00 0.00 C ATOM 625 O LEU A 46 -14.382 0.702 -2.329 1.00 0.00 O ATOM 626 CB LEU A 46 -12.639 -1.224 -3.483 1.00 0.00 C ATOM 627 CG LEU A 46 -11.734 -2.124 -4.337 1.00 0.00 C ATOM 628 CD1 LEU A 46 -11.346 -1.437 -5.639 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.492 -2.527 -3.555 1.00 0.00 C ATOM 0 H LEU A 46 -10.592 1.121 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.721 0.606 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.510 -1.500 -2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.677 -1.433 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.295 -3.024 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.705 -2.098 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.245 -1.206 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.809 -0.514 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.862 -3.165 -4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.936 -1.634 -3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.787 -3.072 -2.658 1.00 0.00 H new ATOM 641 N TYR A 47 -12.620 2.055 -1.967 1.00 0.00 N ATOM 642 CA TYR A 47 -13.297 2.856 -0.952 1.00 0.00 C ATOM 643 C TYR A 47 -12.383 3.967 -0.443 1.00 0.00 C ATOM 644 O TYR A 47 -11.286 4.165 -0.965 1.00 0.00 O ATOM 645 CB TYR A 47 -13.740 1.974 0.217 1.00 0.00 C ATOM 646 CG TYR A 47 -12.587 1.384 0.995 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.942 2.116 1.982 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.140 0.097 0.736 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.883 1.581 2.690 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.084 -0.448 1.438 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.458 0.298 2.415 1.00 0.00 C ATOM 652 OH TYR A 47 -9.404 -0.240 3.118 1.00 0.00 O ATOM 0 H TYR A 47 -11.661 2.345 -2.160 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.177 3.308 -1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.360 2.563 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.363 1.165 -0.164 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.273 3.120 2.200 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.627 -0.490 -0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.391 2.164 3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.750 -1.452 1.224 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.619 -1.161 3.376 1.00 0.00 H new ATOM 662 N ASN A 48 -12.839 4.683 0.582 1.00 0.00 N ATOM 663 CA ASN A 48 -12.058 5.771 1.166 1.00 0.00 C ATOM 664 C ASN A 48 -12.823 6.458 2.296 1.00 0.00 C ATOM 665 O ASN A 48 -12.223 6.932 3.261 1.00 0.00 O ATOM 666 CB ASN A 48 -11.684 6.798 0.096 1.00 0.00 C ATOM 667 CG ASN A 48 -10.850 7.937 0.650 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.473 7.933 1.822 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.557 8.920 -0.193 1.00 0.00 N ATOM 0 H ASN A 48 -13.745 4.530 1.025 1.00 0.00 H new ATOM 0 HA ASN A 48 -11.148 5.338 1.580 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.131 6.302 -0.702 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.593 7.201 -0.350 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.998 9.713 0.123 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.890 8.882 -1.156 1.00 0.00 H new ATOM 744 N SER A 56 -14.758 -3.576 2.053 1.00 0.00 N ATOM 745 CA SER A 56 -15.525 -3.356 0.833 1.00 0.00 C ATOM 746 C SER A 56 -15.558 -4.622 -0.017 1.00 0.00 C ATOM 747 O SER A 56 -15.576 -4.557 -1.246 1.00 0.00 O ATOM 748 CB SER A 56 -14.932 -2.196 0.031 1.00 0.00 C ATOM 749 OG SER A 56 -14.564 -1.126 0.883 1.00 0.00 O ATOM 0 HA SER A 56 -16.547 -3.101 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.059 -2.541 -0.523 1.00 0.00 H new ATOM 0 HB3 SER A 56 -15.659 -1.848 -0.703 1.00 0.00 H new ATOM 0 HG SER A 56 -13.602 -1.169 1.066 1.00 0.00 H new ATOM 755 N GLY A 57 -15.565 -5.773 0.649 1.00 0.00 N ATOM 756 CA GLY A 57 -15.595 -7.041 -0.056 1.00 0.00 C ATOM 757 C GLY A 57 -14.257 -7.753 -0.029 1.00 0.00 C ATOM 758 O GLY A 57 -13.230 -7.145 0.272 1.00 0.00 O ATOM 0 H GLY A 57 -15.550 -5.850 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -16.354 -7.683 0.391 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.891 -6.870 -1.091 1.00 0.00 H new ATOM 762 N SER A 129 -14.267 -9.045 -0.348 1.00 0.00 N ATOM 763 CA SER A 129 -13.043 -9.840 -0.362 1.00 0.00 C ATOM 764 C SER A 129 -11.983 -9.194 -1.247 1.00 0.00 C ATOM 765 O SER A 129 -10.786 -9.415 -1.060 1.00 0.00 O ATOM 766 CB SER A 129 -13.334 -11.259 -0.851 1.00 0.00 C ATOM 767 OG SER A 129 -14.168 -11.952 0.062 1.00 0.00 O ATOM 0 H SER A 129 -15.109 -9.563 -0.600 1.00 0.00 H new ATOM 0 HA SER A 129 -12.661 -9.886 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.814 -11.219 -1.829 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.398 -11.803 -0.978 1.00 0.00 H new ATOM 0 HG SER A 129 -14.341 -12.856 -0.274 1.00 0.00 H new ATOM 773 N THR A 130 -12.428 -8.389 -2.208 1.00 0.00 N ATOM 774 CA THR A 130 -11.515 -7.706 -3.117 1.00 0.00 C ATOM 775 C THR A 130 -10.410 -6.997 -2.341 1.00 0.00 C ATOM 776 O THR A 130 -9.282 -6.873 -2.817 1.00 0.00 O ATOM 777 CB THR A 130 -12.276 -6.696 -3.972 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.644 -7.050 -4.071 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.728 -6.577 -5.377 1.00 0.00 C ATOM 0 H THR A 130 -13.415 -8.194 -2.377 1.00 0.00 H new ATOM 0 HA THR A 130 -11.060 -8.454 -3.767 1.00 0.00 H new ATOM 0 HB THR A 130 -12.155 -5.737 -3.467 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.114 -6.389 -4.621 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.311 -5.844 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 130 -10.687 -6.257 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.790 -7.545 -5.875 1.00 0.00 H new ATOM 787 N GLU A 131 -10.748 -6.537 -1.142 1.00 0.00 N ATOM 788 CA GLU A 131 -9.794 -5.842 -0.290 1.00 0.00 C ATOM 789 C GLU A 131 -8.603 -6.738 0.033 1.00 0.00 C ATOM 790 O GLU A 131 -7.453 -6.307 -0.034 1.00 0.00 O ATOM 791 CB GLU A 131 -10.479 -5.389 1.000 1.00 0.00 C ATOM 792 CG GLU A 131 -10.829 -3.913 1.009 1.00 0.00 C ATOM 793 CD GLU A 131 -11.896 -3.566 -0.008 1.00 0.00 C ATOM 794 OE1 GLU A 131 -12.806 -4.394 -0.220 1.00 0.00 O ATOM 795 OE2 GLU A 131 -11.821 -2.466 -0.592 1.00 0.00 O ATOM 0 H GLU A 131 -11.679 -6.634 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.427 -4.966 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.389 -5.972 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -9.825 -5.605 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -11.174 -3.630 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.932 -3.329 0.804 1.00 0.00 H new ATOM 802 N GLU A 132 -8.887 -7.988 0.378 1.00 0.00 N ATOM 803 CA GLU A 132 -7.839 -8.949 0.705 1.00 0.00 C ATOM 804 C GLU A 132 -7.224 -9.521 -0.566 1.00 0.00 C ATOM 805 O GLU A 132 -6.036 -9.839 -0.609 1.00 0.00 O ATOM 806 CB GLU A 132 -8.402 -10.084 1.566 1.00 0.00 C ATOM 807 CG GLU A 132 -9.541 -9.656 2.478 1.00 0.00 C ATOM 808 CD GLU A 132 -9.426 -10.243 3.872 1.00 0.00 C ATOM 809 OE1 GLU A 132 -8.374 -10.045 4.515 1.00 0.00 O ATOM 810 OE2 GLU A 132 -10.389 -10.901 4.320 1.00 0.00 O ATOM 0 H GLU A 132 -9.834 -8.361 0.439 1.00 0.00 H new ATOM 0 HA GLU A 132 -7.064 -8.429 1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.753 -10.883 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -7.598 -10.499 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -9.557 -8.568 2.546 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -10.489 -9.962 2.036 1.00 0.00 H new ATOM 817 N LEU A 133 -8.049 -9.650 -1.597 1.00 0.00 N ATOM 818 CA LEU A 133 -7.607 -10.185 -2.878 1.00 0.00 C ATOM 819 C LEU A 133 -6.472 -9.350 -3.466 1.00 0.00 C ATOM 820 O LEU A 133 -5.373 -9.854 -3.696 1.00 0.00 O ATOM 821 CB LEU A 133 -8.784 -10.227 -3.854 1.00 0.00 C ATOM 822 CG LEU A 133 -9.515 -11.569 -3.945 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.813 -12.113 -2.555 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.800 -11.419 -4.749 1.00 0.00 C ATOM 0 H LEU A 133 -9.035 -9.389 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 133 -7.232 -11.195 -2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.502 -9.460 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.420 -9.963 -4.847 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.868 -12.281 -4.457 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -10.333 -13.067 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.879 -12.257 -2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -10.441 -11.405 -2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -11.309 -12.381 -4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -11.451 -10.692 -4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.561 -11.076 -5.756 1.00 0.00 H new ATOM 836 N ARG A 134 -6.749 -8.073 -3.715 1.00 0.00 N ATOM 837 CA ARG A 134 -5.754 -7.172 -4.286 1.00 0.00 C ATOM 838 C ARG A 134 -4.583 -6.959 -3.330 1.00 0.00 C ATOM 839 O ARG A 134 -3.425 -6.938 -3.747 1.00 0.00 O ATOM 840 CB ARG A 134 -6.396 -5.826 -4.643 1.00 0.00 C ATOM 841 CG ARG A 134 -6.767 -4.980 -3.434 1.00 0.00 C ATOM 842 CD ARG A 134 -7.317 -3.623 -3.848 1.00 0.00 C ATOM 843 NE ARG A 134 -6.521 -3.006 -4.908 1.00 0.00 N ATOM 844 CZ ARG A 134 -6.729 -3.206 -6.209 1.00 0.00 C ATOM 845 NH1 ARG A 134 -7.702 -4.010 -6.621 1.00 0.00 N ATOM 846 NH2 ARG A 134 -5.960 -2.600 -7.102 1.00 0.00 N ATOM 0 H ARG A 134 -7.654 -7.640 -3.530 1.00 0.00 H new ATOM 0 HA ARG A 134 -5.368 -7.635 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.707 -5.261 -5.272 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -7.292 -6.008 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.509 -5.507 -2.835 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.889 -4.840 -2.803 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.346 -3.738 -4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.340 -2.962 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.760 -2.384 -4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -8.298 -4.481 -5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -7.854 -4.157 -7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.210 -1.981 -6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -6.118 -2.752 -8.098 1.00 0.00 H new ATOM 860 N VAL A 135 -4.891 -6.797 -2.048 1.00 0.00 N ATOM 861 CA VAL A 135 -3.862 -6.582 -1.037 1.00 0.00 C ATOM 862 C VAL A 135 -3.085 -7.867 -0.743 1.00 0.00 C ATOM 863 O VAL A 135 -2.068 -7.839 -0.052 1.00 0.00 O ATOM 864 CB VAL A 135 -4.473 -6.038 0.270 1.00 0.00 C ATOM 865 CG1 VAL A 135 -3.401 -5.817 1.328 1.00 0.00 C ATOM 866 CG2 VAL A 135 -5.230 -4.748 -0.001 1.00 0.00 C ATOM 0 H VAL A 135 -5.844 -6.810 -1.684 1.00 0.00 H new ATOM 0 HA VAL A 135 -3.170 -5.843 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 135 -5.172 -6.781 0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -3.862 -5.433 2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -2.903 -6.762 1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -2.670 -5.097 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -5.657 -4.374 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.547 -4.005 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -6.030 -4.939 -0.716 1.00 0.00 H new ATOM 876 N ARG A 136 -3.565 -8.993 -1.268 1.00 0.00 N ATOM 877 CA ARG A 136 -2.904 -10.276 -1.050 1.00 0.00 C ATOM 878 C ARG A 136 -1.673 -10.422 -1.942 1.00 0.00 C ATOM 879 O ARG A 136 -0.604 -10.815 -1.479 1.00 0.00 O ATOM 880 CB ARG A 136 -3.877 -11.427 -1.313 1.00 0.00 C ATOM 881 CG ARG A 136 -4.481 -12.014 -0.049 1.00 0.00 C ATOM 882 CD ARG A 136 -5.792 -12.727 -0.338 1.00 0.00 C ATOM 883 NE ARG A 136 -5.611 -13.862 -1.240 1.00 0.00 N ATOM 884 CZ ARG A 136 -5.164 -15.053 -0.851 1.00 0.00 C ATOM 885 NH1 ARG A 136 -4.850 -15.270 0.420 1.00 0.00 N ATOM 886 NH2 ARG A 136 -5.030 -16.031 -1.737 1.00 0.00 N ATOM 0 H ARG A 136 -4.405 -9.042 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 136 -2.579 -10.312 -0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.680 -11.072 -1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.356 -12.215 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -3.777 -12.713 0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -4.650 -11.219 0.678 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -6.230 -13.074 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -6.498 -12.023 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.841 -13.734 -2.225 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -4.951 -14.521 1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -4.508 -16.186 0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.270 -15.869 -2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.687 -16.945 -1.440 1.00 0.00 H new ATOM 900 N LEU A 137 -1.830 -10.107 -3.225 1.00 0.00 N ATOM 901 CA LEU A 137 -0.727 -10.209 -4.175 1.00 0.00 C ATOM 902 C LEU A 137 0.473 -9.391 -3.708 1.00 0.00 C ATOM 903 O LEU A 137 1.563 -9.927 -3.510 1.00 0.00 O ATOM 904 CB LEU A 137 -1.172 -9.734 -5.562 1.00 0.00 C ATOM 905 CG LEU A 137 -0.160 -9.967 -6.689 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.988 -8.974 -6.593 1.00 0.00 C ATOM 907 CD2 LEU A 137 0.364 -11.396 -6.654 1.00 0.00 C ATOM 0 H LEU A 137 -2.707 -9.780 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.430 -11.256 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.102 -10.240 -5.820 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.393 -8.668 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 137 -0.668 -9.812 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.695 -9.156 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 137 0.599 -7.959 -6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.494 -9.094 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 137 1.081 -11.541 -7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 137 0.853 -11.581 -5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -0.466 -12.091 -6.777 1.00 0.00 H new ATOM 919 N ALA A 138 0.263 -8.090 -3.537 1.00 0.00 N ATOM 920 CA ALA A 138 1.325 -7.194 -3.097 1.00 0.00 C ATOM 921 C ALA A 138 1.900 -7.625 -1.750 1.00 0.00 C ATOM 922 O ALA A 138 3.019 -7.254 -1.397 1.00 0.00 O ATOM 923 CB ALA A 138 0.808 -5.768 -3.019 1.00 0.00 C ATOM 0 H ALA A 138 -0.635 -7.633 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 138 2.129 -7.243 -3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.610 -5.108 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.460 -5.453 -4.003 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -0.018 -5.719 -2.309 1.00 0.00 H new ATOM 929 N SER A 139 1.132 -8.409 -1.001 1.00 0.00 N ATOM 930 CA SER A 139 1.574 -8.887 0.305 1.00 0.00 C ATOM 931 C SER A 139 2.656 -9.960 0.172 1.00 0.00 C ATOM 932 O SER A 139 3.242 -10.387 1.167 1.00 0.00 O ATOM 933 CB SER A 139 0.384 -9.442 1.087 1.00 0.00 C ATOM 934 OG SER A 139 0.767 -9.822 2.398 1.00 0.00 O ATOM 0 H SER A 139 0.202 -8.727 -1.275 1.00 0.00 H new ATOM 0 HA SER A 139 2.003 -8.042 0.844 1.00 0.00 H new ATOM 0 HB2 SER A 139 -0.404 -8.690 1.138 1.00 0.00 H new ATOM 0 HB3 SER A 139 -0.031 -10.303 0.562 1.00 0.00 H new ATOM 0 HG SER A 139 1.724 -10.034 2.411 1.00 0.00 H new ATOM 940 N HIS A 140 2.906 -10.402 -1.058 1.00 0.00 N ATOM 941 CA HIS A 140 3.903 -11.435 -1.317 1.00 0.00 C ATOM 942 C HIS A 140 5.310 -11.007 -0.896 1.00 0.00 C ATOM 943 O HIS A 140 6.123 -11.846 -0.507 1.00 0.00 O ATOM 944 CB HIS A 140 3.897 -11.821 -2.799 1.00 0.00 C ATOM 945 CG HIS A 140 4.270 -10.708 -3.736 1.00 0.00 C ATOM 946 ND1 HIS A 140 4.088 -9.368 -3.468 1.00 0.00 N ATOM 947 CD2 HIS A 140 4.824 -10.765 -4.974 1.00 0.00 C ATOM 948 CE1 HIS A 140 4.525 -8.673 -4.526 1.00 0.00 C ATOM 949 NE2 HIS A 140 4.983 -9.473 -5.467 1.00 0.00 N ATOM 0 H HIS A 140 2.430 -10.059 -1.892 1.00 0.00 H new ATOM 0 HA HIS A 140 3.630 -12.300 -0.712 1.00 0.00 H new ATOM 0 HB2 HIS A 140 4.588 -12.651 -2.948 1.00 0.00 H new ATOM 0 HB3 HIS A 140 2.903 -12.183 -3.063 1.00 0.00 H new ATOM 0 HD2 HIS A 140 5.098 -11.671 -5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 140 4.505 -7.596 -4.598 1.00 0.00 H new ATOM 0 HE2 HIS A 140 5.373 -9.202 -6.370 1.00 0.00 H new ATOM 957 N LEU A 141 5.607 -9.714 -0.984 1.00 0.00 N ATOM 958 CA LEU A 141 6.931 -9.220 -0.618 1.00 0.00 C ATOM 959 C LEU A 141 6.858 -7.914 0.170 1.00 0.00 C ATOM 960 O LEU A 141 7.512 -7.769 1.201 1.00 0.00 O ATOM 961 CB LEU A 141 7.782 -9.016 -1.871 1.00 0.00 C ATOM 962 CG LEU A 141 9.161 -8.398 -1.618 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.257 -9.424 -1.854 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.370 -7.173 -2.497 1.00 0.00 C ATOM 0 H LEU A 141 4.957 -8.996 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 141 7.391 -9.972 0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 141 7.916 -9.979 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.235 -8.377 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 141 9.209 -8.081 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.229 -8.967 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.118 -10.267 -1.177 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.211 -9.775 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.355 -6.749 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 141 9.300 -7.462 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.605 -6.430 -2.273 1.00 0.00 H new ATOM 976 N ARG A 142 6.078 -6.959 -0.335 1.00 0.00 N ATOM 977 CA ARG A 142 5.934 -5.650 0.307 1.00 0.00 C ATOM 978 C ARG A 142 5.937 -5.755 1.831 1.00 0.00 C ATOM 979 O ARG A 142 6.905 -5.365 2.485 1.00 0.00 O ATOM 980 CB ARG A 142 4.650 -4.966 -0.167 1.00 0.00 C ATOM 981 CG ARG A 142 4.567 -4.806 -1.676 1.00 0.00 C ATOM 982 CD ARG A 142 5.796 -4.110 -2.235 1.00 0.00 C ATOM 983 NE ARG A 142 5.800 -4.107 -3.694 1.00 0.00 N ATOM 984 CZ ARG A 142 6.044 -5.184 -4.435 1.00 0.00 C ATOM 985 NH1 ARG A 142 6.320 -6.347 -3.858 1.00 0.00 N ATOM 986 NH2 ARG A 142 6.018 -5.098 -5.757 1.00 0.00 N ATOM 0 H ARG A 142 5.533 -7.067 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 142 6.796 -5.049 0.016 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.792 -5.544 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 142 4.579 -3.983 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.461 -5.786 -2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.676 -4.233 -1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 142 5.830 -3.084 -1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.694 -4.609 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 142 5.604 -3.228 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 142 6.346 -6.418 -2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 142 6.506 -7.169 -4.432 1.00 0.00 H new ATOM 0 HH21 ARG A 142 5.811 -4.206 -6.206 1.00 0.00 H new ATOM 0 HH22 ARG A 142 6.205 -5.924 -6.326 1.00 0.00 H new ATOM 1000 N LYS A 143 4.856 -6.281 2.391 1.00 0.00 N ATOM 1001 CA LYS A 143 4.749 -6.431 3.838 1.00 0.00 C ATOM 1002 C LYS A 143 5.750 -7.460 4.362 1.00 0.00 C ATOM 1003 O LYS A 143 6.014 -7.524 5.563 1.00 0.00 O ATOM 1004 CB LYS A 143 3.326 -6.835 4.226 1.00 0.00 C ATOM 1005 CG LYS A 143 2.641 -5.824 5.128 1.00 0.00 C ATOM 1006 CD LYS A 143 2.528 -4.465 4.457 1.00 0.00 C ATOM 1007 CE LYS A 143 1.363 -3.664 5.015 1.00 0.00 C ATOM 1008 NZ LYS A 143 1.334 -3.689 6.504 1.00 0.00 N ATOM 0 H LYS A 143 4.044 -6.610 1.869 1.00 0.00 H new ATOM 0 HA LYS A 143 4.982 -5.469 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 143 2.733 -6.965 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 143 3.354 -7.801 4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 143 1.647 -6.185 5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 143 3.201 -5.726 6.058 1.00 0.00 H new ATOM 0 HD2 LYS A 143 3.455 -3.909 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 143 2.398 -4.598 3.383 1.00 0.00 H new ATOM 0 HE2 LYS A 143 1.434 -2.632 4.671 1.00 0.00 H new ATOM 0 HE3 LYS A 143 0.427 -4.066 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 0.698 -2.943 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 0.991 -4.615 6.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 2.293 -3.526 6.873 1.00 0.00 H new ATOM 1022 N LEU A 144 6.304 -8.264 3.458 1.00 0.00 N ATOM 1023 CA LEU A 144 7.273 -9.286 3.835 1.00 0.00 C ATOM 1024 C LEU A 144 8.658 -8.678 4.046 1.00 0.00 C ATOM 1025 O LEU A 144 9.139 -8.584 5.175 1.00 0.00 O ATOM 1026 CB LEU A 144 7.334 -10.376 2.762 1.00 0.00 C ATOM 1027 CG LEU A 144 6.811 -11.744 3.201 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.297 -11.798 3.083 1.00 0.00 C ATOM 1029 CD2 LEU A 144 7.453 -12.848 2.375 1.00 0.00 C ATOM 0 H LEU A 144 6.098 -8.227 2.460 1.00 0.00 H new ATOM 0 HA LEU A 144 6.950 -9.730 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 144 6.760 -10.045 1.896 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.368 -10.487 2.436 1.00 0.00 H new ATOM 0 HG LEU A 144 7.078 -11.898 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.942 -12.779 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 144 4.855 -11.030 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 144 5.006 -11.624 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 144 7.070 -13.815 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.216 -12.699 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 144 8.534 -12.822 2.510 1.00 0.00 H new