USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 551 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 36 THR OG1 : rot 180:sc= 0.14 USER MOD Set 1.2: A 37 SER OG : rot 41:sc= 1.44 USER MOD Set 1.3: A 80 LYS NZ :NH3+ -168:sc= 0.939 (180deg=0) USER MOD Set 2.1: A 70 THR OG1 : rot -34:sc= 1.81 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 178:sc= 0.648 (180deg=-0.0346) USER MOD Set 3.1: A 71 SER OG : rot -140:sc= 0.391 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 155:sc= 0.156 (180deg=-1.08) USER MOD Single : A 12 GLN : amide:sc= 2.46 K(o=2.5,f=-8.2!) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc=-0.00634 (180deg=-0.154) USER MOD Single : A 17 THR OG1 : rot -81:sc= 0.922 USER MOD Single : A 22 SER OG : rot 150:sc= 0.86 USER MOD Single : A 26 LYS NZ :NH3+ 155:sc= 1.11 (180deg=0.643) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 60:sc= 0.636 USER MOD Single : A 42 HIS : no HD1:sc= 0.385 K(o=0.39,f=-7.3!) USER MOD Single : A 45 SER OG : rot -79:sc= 1.49 USER MOD Single : A 46 HIS : no HD1:sc= -0.759 K(o=-0.76,f=-3.5!) USER MOD Single : A 47 LYS NZ :NH3+ 166:sc= -0.0148 (180deg=-0.209) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.819 K(o=0.82,f=-2.4!) USER MOD Single : A 55 MET CE :methyl -171:sc= 0 (180deg=-0.112) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc= 0.289 K(o=0.29,f=-3.3!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 64 ASN : amide:sc= 0.916 K(o=0.92,f=-1.6!) USER MOD Single : A 69 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.67) USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.032) USER MOD Single : A 79 SER OG : rot 88:sc= 0.595 USER MOD ----------------------------------------------------------------- ATOM 61 N GLY A 5 13.071 0.921 -8.339 1.00 0.00 N ATOM 62 CA GLY A 5 11.878 0.213 -7.901 1.00 0.00 C ATOM 63 C GLY A 5 12.049 -0.241 -6.453 1.00 0.00 C ATOM 64 O GLY A 5 11.282 0.170 -5.583 1.00 0.00 O ATOM 0 HA2 GLY A 5 11.006 0.862 -7.988 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.699 -0.649 -8.543 1.00 0.00 H new ATOM 68 N ALA A 6 13.052 -1.093 -6.213 1.00 0.00 N ATOM 69 CA ALA A 6 13.421 -1.615 -4.905 1.00 0.00 C ATOM 70 C ALA A 6 13.600 -0.467 -3.912 1.00 0.00 C ATOM 71 O ALA A 6 14.416 0.424 -4.140 1.00 0.00 O ATOM 72 CB ALA A 6 14.705 -2.439 -5.027 1.00 0.00 C ATOM 0 H ALA A 6 13.649 -1.448 -6.960 1.00 0.00 H new ATOM 0 HA ALA A 6 12.626 -2.261 -4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.981 -2.830 -4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.541 -3.268 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.508 -1.807 -5.405 1.00 0.00 H new ATOM 78 N CYS A 7 12.810 -0.475 -2.838 1.00 0.00 N ATOM 79 CA CYS A 7 12.836 0.538 -1.794 1.00 0.00 C ATOM 80 C CYS A 7 12.641 -0.163 -0.460 1.00 0.00 C ATOM 81 O CYS A 7 11.877 -1.120 -0.399 1.00 0.00 O ATOM 82 CB CYS A 7 11.725 1.548 -2.043 1.00 0.00 C ATOM 83 SG CYS A 7 11.543 2.702 -0.675 1.00 0.00 S ATOM 0 H CYS A 7 12.119 -1.206 -2.670 1.00 0.00 H new ATOM 0 HA CYS A 7 13.785 1.073 -1.790 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.937 2.101 -2.958 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.784 1.020 -2.200 1.00 0.00 H new ATOM 88 N GLU A 8 13.263 0.325 0.613 1.00 0.00 N ATOM 89 CA GLU A 8 13.224 -0.320 1.906 1.00 0.00 C ATOM 90 C GLU A 8 12.154 0.325 2.785 1.00 0.00 C ATOM 91 O GLU A 8 11.513 -0.385 3.554 1.00 0.00 O ATOM 92 CB GLU A 8 14.590 -0.160 2.569 1.00 0.00 C ATOM 93 CG GLU A 8 15.782 -0.654 1.742 1.00 0.00 C ATOM 94 CD GLU A 8 17.070 -0.130 2.363 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.555 -0.776 3.317 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.508 0.953 1.915 1.00 0.00 O ATOM 0 H GLU A 8 13.810 1.186 0.599 1.00 0.00 H new ATOM 0 HA GLU A 8 12.984 -1.376 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.742 0.894 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.580 -0.697 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.794 -1.744 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.694 -0.309 0.712 1.00 0.00 H new ATOM 103 N ARG A 9 11.956 1.646 2.700 1.00 0.00 N ATOM 104 CA ARG A 9 10.904 2.318 3.462 1.00 0.00 C ATOM 105 C ARG A 9 10.438 3.600 2.778 1.00 0.00 C ATOM 106 O ARG A 9 11.251 4.331 2.211 1.00 0.00 O ATOM 107 CB ARG A 9 11.262 2.547 4.939 1.00 0.00 C ATOM 108 CG ARG A 9 12.441 3.483 5.259 1.00 0.00 C ATOM 109 CD ARG A 9 13.827 2.881 5.007 1.00 0.00 C ATOM 110 NE ARG A 9 13.997 1.589 5.687 1.00 0.00 N ATOM 111 CZ ARG A 9 15.111 0.845 5.651 1.00 0.00 C ATOM 112 NH1 ARG A 9 16.224 1.316 5.077 1.00 0.00 N ATOM 113 NH2 ARG A 9 15.091 -0.388 6.166 1.00 0.00 N ATOM 0 H ARG A 9 12.511 2.267 2.111 1.00 0.00 H new ATOM 0 HA ARG A 9 10.061 1.627 3.473 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.378 2.940 5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.476 1.576 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.340 4.389 4.661 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.375 3.782 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.976 2.749 3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.593 3.576 5.352 1.00 0.00 H new ATOM 0 HE ARG A 9 13.208 1.232 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.229 2.248 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.068 0.743 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.234 -0.754 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.933 -0.963 6.144 1.00 0.00 H new ATOM 127 N ASP A 10 9.123 3.843 2.869 1.00 0.00 N ATOM 128 CA ASP A 10 8.359 4.935 2.275 1.00 0.00 C ATOM 129 C ASP A 10 9.183 6.190 2.013 1.00 0.00 C ATOM 130 O ASP A 10 9.277 6.647 0.876 1.00 0.00 O ATOM 131 CB ASP A 10 7.187 5.312 3.193 1.00 0.00 C ATOM 132 CG ASP A 10 6.159 4.226 3.431 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.300 3.096 2.918 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.215 4.521 4.192 1.00 0.00 O ATOM 0 H ASP A 10 8.519 3.223 3.409 1.00 0.00 H new ATOM 0 HA ASP A 10 8.011 4.564 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.591 5.621 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.681 6.178 2.767 1.00 0.00 H new ATOM 139 N LEU A 11 9.754 6.738 3.090 1.00 0.00 N ATOM 140 CA LEU A 11 10.528 7.969 3.129 1.00 0.00 C ATOM 141 C LEU A 11 11.523 8.087 1.974 1.00 0.00 C ATOM 142 O LEU A 11 11.726 9.177 1.446 1.00 0.00 O ATOM 143 CB LEU A 11 11.239 8.041 4.490 1.00 0.00 C ATOM 144 CG LEU A 11 12.035 9.335 4.730 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.137 10.577 4.694 1.00 0.00 C ATOM 146 CD2 LEU A 11 12.717 9.246 6.100 1.00 0.00 C ATOM 0 H LEU A 11 9.680 6.303 4.010 1.00 0.00 H new ATOM 0 HA LEU A 11 9.849 8.813 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.495 7.936 5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.917 7.192 4.576 1.00 0.00 H new ATOM 0 HG LEU A 11 12.771 9.435 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.741 11.468 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.656 10.650 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.375 10.498 5.470 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.285 10.158 6.283 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.961 9.128 6.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.390 8.389 6.116 1.00 0.00 H new ATOM 158 N GLN A 12 12.155 6.977 1.587 1.00 0.00 N ATOM 159 CA GLN A 12 13.135 6.980 0.514 1.00 0.00 C ATOM 160 C GLN A 12 12.498 7.347 -0.831 1.00 0.00 C ATOM 161 O GLN A 12 13.146 7.990 -1.652 1.00 0.00 O ATOM 162 CB GLN A 12 13.794 5.600 0.414 1.00 0.00 C ATOM 163 CG GLN A 12 14.502 5.165 1.702 1.00 0.00 C ATOM 164 CD GLN A 12 14.991 3.725 1.584 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.211 2.829 1.273 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.271 3.477 1.846 1.00 0.00 N ATOM 0 H GLN A 12 12.000 6.061 2.008 1.00 0.00 H new ATOM 0 HA GLN A 12 13.886 7.735 0.747 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.034 4.861 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.516 5.609 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.345 5.826 1.901 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.820 5.255 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.896 4.241 2.102 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.627 2.523 1.791 1.00 0.00 H new ATOM 175 N CYS A 13 11.252 6.918 -1.067 1.00 0.00 N ATOM 176 CA CYS A 13 10.553 7.123 -2.332 1.00 0.00 C ATOM 177 C CYS A 13 9.589 8.304 -2.232 1.00 0.00 C ATOM 178 O CYS A 13 9.714 9.276 -2.974 1.00 0.00 O ATOM 179 CB CYS A 13 9.869 5.820 -2.763 1.00 0.00 C ATOM 180 SG CYS A 13 9.785 5.625 -4.555 1.00 0.00 S ATOM 0 H CYS A 13 10.699 6.414 -0.374 1.00 0.00 H new ATOM 0 HA CYS A 13 11.269 7.383 -3.111 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.409 4.975 -2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.860 5.793 -2.353 1.00 0.00 H new ATOM 185 N GLY A 14 8.635 8.235 -1.299 1.00 0.00 N ATOM 186 CA GLY A 14 7.699 9.302 -0.971 1.00 0.00 C ATOM 187 C GLY A 14 6.655 9.644 -2.031 1.00 0.00 C ATOM 188 O GLY A 14 5.457 9.484 -1.813 1.00 0.00 O ATOM 0 H GLY A 14 8.492 7.399 -0.732 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.177 9.028 -0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.272 10.203 -0.754 1.00 0.00 H new ATOM 192 N LYS A 15 7.129 10.184 -3.150 1.00 0.00 N ATOM 193 CA LYS A 15 6.368 10.705 -4.284 1.00 0.00 C ATOM 194 C LYS A 15 5.149 9.838 -4.625 1.00 0.00 C ATOM 195 O LYS A 15 5.263 8.888 -5.396 1.00 0.00 O ATOM 196 CB LYS A 15 7.292 10.859 -5.505 1.00 0.00 C ATOM 197 CG LYS A 15 8.550 11.714 -5.276 1.00 0.00 C ATOM 198 CD LYS A 15 8.232 13.138 -4.796 1.00 0.00 C ATOM 199 CE LYS A 15 9.505 13.978 -4.633 1.00 0.00 C ATOM 200 NZ LYS A 15 10.199 14.194 -5.916 1.00 0.00 N ATOM 0 H LYS A 15 8.134 10.276 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 15 5.979 11.683 -3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.602 9.867 -5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.718 11.299 -6.321 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.187 11.223 -4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.119 11.768 -6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.565 13.622 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.702 13.092 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.248 14.942 -4.194 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.180 13.480 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.929 14.925 -5.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.645 13.306 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.513 14.504 -6.634 1.00 0.00 H new ATOM 214 N GLY A 16 3.991 10.157 -4.031 1.00 0.00 N ATOM 215 CA GLY A 16 2.733 9.432 -4.194 1.00 0.00 C ATOM 216 C GLY A 16 2.901 7.921 -4.019 1.00 0.00 C ATOM 217 O GLY A 16 2.156 7.139 -4.614 1.00 0.00 O ATOM 0 H GLY A 16 3.906 10.956 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.008 9.800 -3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.325 9.637 -5.184 1.00 0.00 H new ATOM 221 N THR A 17 3.870 7.506 -3.201 1.00 0.00 N ATOM 222 CA THR A 17 4.211 6.109 -3.016 1.00 0.00 C ATOM 223 C THR A 17 4.532 5.812 -1.554 1.00 0.00 C ATOM 224 O THR A 17 4.720 6.708 -0.734 1.00 0.00 O ATOM 225 CB THR A 17 5.438 5.769 -3.899 1.00 0.00 C ATOM 226 OG1 THR A 17 6.376 6.826 -3.843 1.00 0.00 O ATOM 227 CG2 THR A 17 5.097 5.538 -5.373 1.00 0.00 C ATOM 0 H THR A 17 4.441 8.143 -2.646 1.00 0.00 H new ATOM 0 HA THR A 17 3.357 5.497 -3.306 1.00 0.00 H new ATOM 0 HB THR A 17 5.839 4.839 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.103 7.539 -4.458 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.008 5.305 -5.925 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.398 4.706 -5.459 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.642 6.438 -5.787 1.00 0.00 H new ATOM 235 N CYS A 18 4.589 4.517 -1.265 1.00 0.00 N ATOM 236 CA CYS A 18 5.009 3.895 -0.025 1.00 0.00 C ATOM 237 C CYS A 18 5.977 2.793 -0.469 1.00 0.00 C ATOM 238 O CYS A 18 6.081 2.550 -1.671 1.00 0.00 O ATOM 239 CB CYS A 18 3.796 3.279 0.675 1.00 0.00 C ATOM 240 SG CYS A 18 3.468 1.584 0.148 1.00 0.00 S ATOM 0 H CYS A 18 4.318 3.818 -1.957 1.00 0.00 H new ATOM 0 HA CYS A 18 5.466 4.597 0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.958 3.294 1.753 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.917 3.893 0.476 1.00 0.00 H new ATOM 245 N CYS A 19 6.654 2.090 0.438 1.00 0.00 N ATOM 246 CA CYS A 19 7.556 1.006 0.055 1.00 0.00 C ATOM 247 C CYS A 19 7.083 -0.291 0.697 1.00 0.00 C ATOM 248 O CYS A 19 7.356 -0.539 1.870 1.00 0.00 O ATOM 249 CB CYS A 19 8.996 1.382 0.374 1.00 0.00 C ATOM 250 SG CYS A 19 9.494 2.873 -0.523 1.00 0.00 S ATOM 0 H CYS A 19 6.595 2.252 1.443 1.00 0.00 H new ATOM 0 HA CYS A 19 7.534 0.841 -1.022 1.00 0.00 H new ATOM 0 HB2 CYS A 19 9.103 1.546 1.446 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.658 0.557 0.110 1.00 0.00 H new ATOM 255 N ALA A 20 6.346 -1.103 -0.071 1.00 0.00 N ATOM 256 CA ALA A 20 5.717 -2.338 0.385 1.00 0.00 C ATOM 257 C ALA A 20 6.210 -3.533 -0.423 1.00 0.00 C ATOM 258 O ALA A 20 6.859 -3.366 -1.454 1.00 0.00 O ATOM 259 CB ALA A 20 4.195 -2.205 0.302 1.00 0.00 C ATOM 0 H ALA A 20 6.169 -0.908 -1.056 1.00 0.00 H new ATOM 0 HA ALA A 20 5.995 -2.511 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.730 -3.130 0.644 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.867 -1.379 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.902 -2.011 -0.730 1.00 0.00 H new ATOM 265 N VAL A 21 5.930 -4.738 0.080 1.00 0.00 N ATOM 266 CA VAL A 21 6.372 -5.993 -0.514 1.00 0.00 C ATOM 267 C VAL A 21 6.010 -6.054 -2.005 1.00 0.00 C ATOM 268 O VAL A 21 4.932 -5.617 -2.402 1.00 0.00 O ATOM 269 CB VAL A 21 5.786 -7.192 0.264 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.412 -8.506 -0.215 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.010 -7.075 1.778 1.00 0.00 C ATOM 0 H VAL A 21 5.379 -4.866 0.928 1.00 0.00 H new ATOM 0 HA VAL A 21 7.458 -6.047 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 21 4.714 -7.186 0.069 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.986 -9.338 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.207 -8.641 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.490 -8.475 -0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.579 -7.943 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.079 -7.031 1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.531 -6.168 2.148 1.00 0.00 H new ATOM 281 N SER A 22 6.904 -6.582 -2.845 1.00 0.00 N ATOM 282 CA SER A 22 6.619 -6.727 -4.264 1.00 0.00 C ATOM 283 C SER A 22 5.513 -7.764 -4.459 1.00 0.00 C ATOM 284 O SER A 22 5.468 -8.793 -3.785 1.00 0.00 O ATOM 285 CB SER A 22 7.896 -7.077 -5.048 1.00 0.00 C ATOM 286 OG SER A 22 7.610 -7.712 -6.290 1.00 0.00 O ATOM 0 H SER A 22 7.826 -6.913 -2.563 1.00 0.00 H new ATOM 0 HA SER A 22 6.263 -5.777 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.468 -6.168 -5.231 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.523 -7.732 -4.443 1.00 0.00 H new ATOM 0 HG SER A 22 8.312 -7.495 -6.938 1.00 0.00 H new ATOM 292 N LEU A 23 4.603 -7.483 -5.392 1.00 0.00 N ATOM 293 CA LEU A 23 3.522 -8.384 -5.765 1.00 0.00 C ATOM 294 C LEU A 23 4.080 -9.627 -6.463 1.00 0.00 C ATOM 295 O LEU A 23 3.370 -10.624 -6.568 1.00 0.00 O ATOM 296 CB LEU A 23 2.545 -7.647 -6.700 1.00 0.00 C ATOM 297 CG LEU A 23 1.432 -6.842 -6.006 1.00 0.00 C ATOM 298 CD1 LEU A 23 0.299 -7.768 -5.556 1.00 0.00 C ATOM 299 CD2 LEU A 23 1.928 -6.015 -4.817 1.00 0.00 C ATOM 0 H LEU A 23 4.600 -6.608 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 23 2.995 -8.702 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.118 -6.968 -7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.080 -8.380 -7.359 1.00 0.00 H new ATOM 0 HG LEU A 23 1.063 -6.136 -6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.479 -7.181 -5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.121 -8.277 -6.424 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.689 -8.507 -4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.091 -5.474 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.366 -6.678 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.681 -5.304 -5.157 1.00 0.00 H new ATOM 311 N TRP A 24 5.330 -9.581 -6.940 1.00 0.00 N ATOM 312 CA TRP A 24 5.935 -10.661 -7.706 1.00 0.00 C ATOM 313 C TRP A 24 7.036 -11.350 -6.901 1.00 0.00 C ATOM 314 O TRP A 24 6.938 -12.546 -6.633 1.00 0.00 O ATOM 315 CB TRP A 24 6.392 -10.100 -9.059 1.00 0.00 C ATOM 316 CG TRP A 24 5.290 -9.362 -9.760 1.00 0.00 C ATOM 317 CD1 TRP A 24 4.313 -9.939 -10.494 1.00 0.00 C ATOM 318 CD2 TRP A 24 4.911 -7.958 -9.630 1.00 0.00 C ATOM 319 NE1 TRP A 24 3.350 -9.004 -10.814 1.00 0.00 N ATOM 320 CE2 TRP A 24 3.653 -7.771 -10.274 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.475 -6.833 -8.988 1.00 0.00 C ATOM 322 CZ2 TRP A 24 2.976 -6.542 -10.258 1.00 0.00 C ATOM 323 CZ3 TRP A 24 4.813 -5.591 -8.978 1.00 0.00 C ATOM 324 CH2 TRP A 24 3.553 -5.452 -9.587 1.00 0.00 C ATOM 0 H TRP A 24 5.950 -8.783 -6.800 1.00 0.00 H new ATOM 0 HA TRP A 24 5.211 -11.450 -7.912 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.238 -9.430 -8.907 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.741 -10.916 -9.691 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.289 -10.978 -10.787 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.522 -9.199 -11.377 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.432 -6.928 -8.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 2.023 -6.436 -10.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 5.275 -4.740 -8.500 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.030 -4.508 -9.539 1.00 0.00 H new ATOM 335 N ILE A 25 8.065 -10.606 -6.485 1.00 0.00 N ATOM 336 CA ILE A 25 9.166 -11.156 -5.705 1.00 0.00 C ATOM 337 C ILE A 25 8.955 -10.772 -4.245 1.00 0.00 C ATOM 338 O ILE A 25 9.490 -9.782 -3.756 1.00 0.00 O ATOM 339 CB ILE A 25 10.539 -10.759 -6.285 1.00 0.00 C ATOM 340 CG1 ILE A 25 11.676 -11.280 -5.383 1.00 0.00 C ATOM 341 CG2 ILE A 25 10.669 -9.253 -6.536 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.030 -11.334 -6.098 1.00 0.00 C ATOM 0 H ILE A 25 8.154 -9.609 -6.681 1.00 0.00 H new ATOM 0 HA ILE A 25 9.171 -12.244 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 25 10.622 -11.234 -7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.760 -10.638 -4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.420 -12.277 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.656 -9.036 -6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.905 -8.935 -7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.538 -8.715 -5.597 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.789 -11.709 -5.411 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.960 -11.998 -6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.305 -10.334 -6.432 1.00 0.00 H new ATOM 354 N LYS A 26 8.209 -11.605 -3.523 1.00 0.00 N ATOM 355 CA LYS A 26 7.891 -11.399 -2.116 1.00 0.00 C ATOM 356 C LYS A 26 9.144 -11.215 -1.240 1.00 0.00 C ATOM 357 O LYS A 26 9.034 -10.775 -0.099 1.00 0.00 O ATOM 358 CB LYS A 26 7.031 -12.567 -1.609 1.00 0.00 C ATOM 359 CG LYS A 26 5.575 -12.540 -2.106 1.00 0.00 C ATOM 360 CD LYS A 26 5.413 -12.721 -3.622 1.00 0.00 C ATOM 361 CE LYS A 26 3.959 -13.040 -3.983 1.00 0.00 C ATOM 362 NZ LYS A 26 3.800 -13.211 -5.438 1.00 0.00 N ATOM 0 H LYS A 26 7.802 -12.457 -3.909 1.00 0.00 H new ATOM 0 HA LYS A 26 7.329 -10.468 -2.037 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.492 -13.505 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.031 -12.558 -0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.017 -13.326 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.124 -11.591 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.729 -11.813 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.062 -13.525 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.645 -13.949 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.310 -12.237 -3.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.975 -13.815 -5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.659 -12.282 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.653 -13.657 -5.830 1.00 0.00 H new ATOM 376 N SER A 27 10.334 -11.542 -1.756 1.00 0.00 N ATOM 377 CA SER A 27 11.589 -11.401 -1.038 1.00 0.00 C ATOM 378 C SER A 27 12.071 -9.946 -0.996 1.00 0.00 C ATOM 379 O SER A 27 12.993 -9.639 -0.245 1.00 0.00 O ATOM 380 CB SER A 27 12.641 -12.276 -1.728 1.00 0.00 C ATOM 381 OG SER A 27 12.068 -13.514 -2.109 1.00 0.00 O ATOM 0 H SER A 27 10.445 -11.917 -2.698 1.00 0.00 H new ATOM 0 HA SER A 27 11.435 -11.717 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.034 -11.763 -2.606 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.482 -12.447 -1.055 1.00 0.00 H new ATOM 0 HG SER A 27 12.746 -14.066 -2.551 1.00 0.00 H new ATOM 387 N VAL A 28 11.497 -9.070 -1.827 1.00 0.00 N ATOM 388 CA VAL A 28 11.884 -7.673 -1.960 1.00 0.00 C ATOM 389 C VAL A 28 10.642 -6.793 -1.810 1.00 0.00 C ATOM 390 O VAL A 28 9.522 -7.244 -2.047 1.00 0.00 O ATOM 391 CB VAL A 28 12.558 -7.501 -3.338 1.00 0.00 C ATOM 392 CG1 VAL A 28 12.686 -6.042 -3.795 1.00 0.00 C ATOM 393 CG2 VAL A 28 13.948 -8.153 -3.340 1.00 0.00 C ATOM 0 H VAL A 28 10.726 -9.328 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 28 12.590 -7.373 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 28 11.897 -7.998 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.170 -6.008 -4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 28 11.695 -5.594 -3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.285 -5.486 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.410 -8.023 -4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.571 -7.683 -2.579 1.00 0.00 H new ATOM 0 HG23 VAL A 28 13.851 -9.217 -3.123 1.00 0.00 H new ATOM 403 N ARG A 29 10.845 -5.533 -1.413 1.00 0.00 N ATOM 404 CA ARG A 29 9.804 -4.524 -1.313 1.00 0.00 C ATOM 405 C ARG A 29 10.178 -3.359 -2.240 1.00 0.00 C ATOM 406 O ARG A 29 11.362 -3.089 -2.457 1.00 0.00 O ATOM 407 CB ARG A 29 9.520 -4.166 0.156 1.00 0.00 C ATOM 408 CG ARG A 29 10.744 -3.893 1.035 1.00 0.00 C ATOM 409 CD ARG A 29 10.327 -3.159 2.321 1.00 0.00 C ATOM 410 NE ARG A 29 9.251 -3.870 3.031 1.00 0.00 N ATOM 411 CZ ARG A 29 9.412 -4.953 3.806 1.00 0.00 C ATOM 412 NH1 ARG A 29 10.628 -5.354 4.193 1.00 0.00 N ATOM 413 NH2 ARG A 29 8.338 -5.643 4.198 1.00 0.00 N ATOM 0 H ARG A 29 11.766 -5.184 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 29 8.840 -4.893 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.880 -3.284 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.952 -4.982 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.235 -4.833 1.288 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.468 -3.293 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.191 -3.057 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.995 -2.151 2.073 1.00 0.00 H new ATOM 0 HE ARG A 29 8.303 -3.509 2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.454 -4.833 3.899 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.729 -6.180 4.782 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.407 -5.345 3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.449 -6.468 4.787 1.00 0.00 H new ATOM 427 N VAL A 30 9.172 -2.738 -2.865 1.00 0.00 N ATOM 428 CA VAL A 30 9.335 -1.736 -3.911 1.00 0.00 C ATOM 429 C VAL A 30 8.430 -0.526 -3.685 1.00 0.00 C ATOM 430 O VAL A 30 7.450 -0.609 -2.938 1.00 0.00 O ATOM 431 CB VAL A 30 9.006 -2.368 -5.283 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.947 -3.524 -5.638 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.556 -2.874 -5.355 1.00 0.00 C ATOM 0 H VAL A 30 8.194 -2.928 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 30 10.369 -1.393 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 30 9.144 -1.565 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.672 -3.932 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.974 -3.159 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.866 -4.305 -4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.371 -3.310 -6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.396 -3.630 -4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.872 -2.041 -5.193 1.00 0.00 H new ATOM 443 N CYS A 31 8.748 0.584 -4.367 1.00 0.00 N ATOM 444 CA CYS A 31 7.936 1.797 -4.356 1.00 0.00 C ATOM 445 C CYS A 31 6.552 1.438 -4.897 1.00 0.00 C ATOM 446 O CYS A 31 6.358 1.342 -6.107 1.00 0.00 O ATOM 447 CB CYS A 31 8.518 2.914 -5.232 1.00 0.00 C ATOM 448 SG CYS A 31 10.141 3.585 -4.819 1.00 0.00 S ATOM 0 H CYS A 31 9.585 0.660 -4.945 1.00 0.00 H new ATOM 0 HA CYS A 31 7.903 2.168 -3.332 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.566 2.540 -6.255 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.808 3.741 -5.228 1.00 0.00 H new ATOM 453 N THR A 32 5.591 1.232 -4.006 1.00 0.00 N ATOM 454 CA THR A 32 4.229 0.865 -4.335 1.00 0.00 C ATOM 455 C THR A 32 3.401 2.151 -4.264 1.00 0.00 C ATOM 456 O THR A 32 3.533 2.893 -3.289 1.00 0.00 O ATOM 457 CB THR A 32 3.765 -0.185 -3.318 1.00 0.00 C ATOM 458 OG1 THR A 32 4.710 -1.240 -3.256 1.00 0.00 O ATOM 459 CG2 THR A 32 2.404 -0.783 -3.678 1.00 0.00 C ATOM 0 H THR A 32 5.748 1.320 -3.002 1.00 0.00 H new ATOM 0 HA THR A 32 4.126 0.431 -5.330 1.00 0.00 H new ATOM 0 HB THR A 32 3.676 0.322 -2.357 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.583 -0.882 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.121 -1.521 -2.927 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.656 0.009 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.465 -1.264 -4.654 1.00 0.00 H new ATOM 467 N PRO A 33 2.594 2.477 -5.284 1.00 0.00 N ATOM 468 CA PRO A 33 1.793 3.687 -5.269 1.00 0.00 C ATOM 469 C PRO A 33 0.712 3.590 -4.197 1.00 0.00 C ATOM 470 O PRO A 33 0.298 2.489 -3.831 1.00 0.00 O ATOM 471 CB PRO A 33 1.188 3.790 -6.672 1.00 0.00 C ATOM 472 CG PRO A 33 1.096 2.331 -7.119 1.00 0.00 C ATOM 473 CD PRO A 33 2.335 1.698 -6.483 1.00 0.00 C ATOM 0 HA PRO A 33 2.382 4.573 -5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.209 4.269 -6.654 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.818 4.377 -7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.177 1.859 -6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.109 2.240 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.160 0.650 -6.240 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.186 1.730 -7.164 1.00 0.00 H new ATOM 481 N VAL A 34 0.263 4.736 -3.674 1.00 0.00 N ATOM 482 CA VAL A 34 -0.889 4.723 -2.775 1.00 0.00 C ATOM 483 C VAL A 34 -2.067 4.117 -3.552 1.00 0.00 C ATOM 484 O VAL A 34 -2.212 4.333 -4.755 1.00 0.00 O ATOM 485 CB VAL A 34 -1.273 6.131 -2.276 1.00 0.00 C ATOM 486 CG1 VAL A 34 -0.566 6.529 -0.979 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.007 7.204 -3.331 1.00 0.00 C ATOM 0 H VAL A 34 0.666 5.656 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.636 4.138 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.343 6.071 -2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.882 7.530 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.825 5.821 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.513 6.520 -1.135 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.292 8.180 -2.937 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.053 7.210 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.592 6.988 -4.225 1.00 0.00 H new ATOM 497 N GLY A 35 -2.908 3.362 -2.856 1.00 0.00 N ATOM 498 CA GLY A 35 -4.052 2.687 -3.438 1.00 0.00 C ATOM 499 C GLY A 35 -5.028 3.684 -4.063 1.00 0.00 C ATOM 500 O GLY A 35 -5.399 4.667 -3.419 1.00 0.00 O ATOM 0 H GLY A 35 -2.809 3.201 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.713 1.982 -4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.564 2.107 -2.670 1.00 0.00 H new ATOM 504 N THR A 36 -5.449 3.441 -5.307 1.00 0.00 N ATOM 505 CA THR A 36 -6.449 4.271 -5.964 1.00 0.00 C ATOM 506 C THR A 36 -7.815 3.588 -5.871 1.00 0.00 C ATOM 507 O THR A 36 -7.947 2.482 -5.339 1.00 0.00 O ATOM 508 CB THR A 36 -6.043 4.642 -7.401 1.00 0.00 C ATOM 509 OG1 THR A 36 -6.892 5.681 -7.849 1.00 0.00 O ATOM 510 CG2 THR A 36 -6.125 3.489 -8.405 1.00 0.00 C ATOM 0 H THR A 36 -5.107 2.669 -5.879 1.00 0.00 H new ATOM 0 HA THR A 36 -6.520 5.226 -5.444 1.00 0.00 H new ATOM 0 HB THR A 36 -4.995 4.939 -7.357 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.647 5.932 -8.764 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.821 3.842 -9.390 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.463 2.683 -8.088 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.149 3.120 -8.452 1.00 0.00 H new ATOM 518 N SER A 37 -8.834 4.270 -6.391 1.00 0.00 N ATOM 519 CA SER A 37 -10.221 3.847 -6.367 1.00 0.00 C ATOM 520 C SER A 37 -10.368 2.438 -6.946 1.00 0.00 C ATOM 521 O SER A 37 -10.238 2.271 -8.158 1.00 0.00 O ATOM 522 CB SER A 37 -11.033 4.860 -7.179 1.00 0.00 C ATOM 523 OG SER A 37 -10.442 5.007 -8.457 1.00 0.00 O ATOM 0 H SER A 37 -8.704 5.168 -6.858 1.00 0.00 H new ATOM 0 HA SER A 37 -10.587 3.811 -5.341 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.065 4.523 -7.278 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.060 5.820 -6.664 1.00 0.00 H new ATOM 0 HG SER A 37 -10.154 4.130 -8.787 1.00 0.00 H new ATOM 529 N GLY A 38 -10.639 1.450 -6.091 1.00 0.00 N ATOM 530 CA GLY A 38 -10.847 0.063 -6.478 1.00 0.00 C ATOM 531 C GLY A 38 -9.717 -0.864 -6.033 1.00 0.00 C ATOM 532 O GLY A 38 -9.915 -2.077 -6.018 1.00 0.00 O ATOM 0 H GLY A 38 -10.721 1.602 -5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.786 -0.289 -6.051 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.948 0.007 -7.562 1.00 0.00 H new ATOM 536 N GLU A 39 -8.537 -0.341 -5.679 1.00 0.00 N ATOM 537 CA GLU A 39 -7.434 -1.206 -5.274 1.00 0.00 C ATOM 538 C GLU A 39 -7.655 -1.781 -3.872 1.00 0.00 C ATOM 539 O GLU A 39 -8.407 -1.227 -3.068 1.00 0.00 O ATOM 540 CB GLU A 39 -6.095 -0.469 -5.379 1.00 0.00 C ATOM 541 CG GLU A 39 -5.777 -0.149 -6.845 1.00 0.00 C ATOM 542 CD GLU A 39 -4.323 0.275 -7.017 1.00 0.00 C ATOM 543 OE1 GLU A 39 -4.011 1.401 -6.575 1.00 0.00 O ATOM 544 OE2 GLU A 39 -3.552 -0.533 -7.577 1.00 0.00 O ATOM 0 H GLU A 39 -8.328 0.657 -5.666 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.402 -2.050 -5.962 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.133 0.453 -4.798 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.301 -1.082 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.978 -1.025 -7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.434 0.647 -7.196 1.00 0.00 H new ATOM 551 N ASP A 40 -6.996 -2.910 -3.593 1.00 0.00 N ATOM 552 CA ASP A 40 -7.075 -3.581 -2.303 1.00 0.00 C ATOM 553 C ASP A 40 -6.276 -2.799 -1.261 1.00 0.00 C ATOM 554 O ASP A 40 -5.286 -2.151 -1.601 1.00 0.00 O ATOM 555 CB ASP A 40 -6.569 -5.025 -2.417 1.00 0.00 C ATOM 556 CG ASP A 40 -7.046 -5.876 -1.241 1.00 0.00 C ATOM 557 OD1 ASP A 40 -6.333 -5.879 -0.216 1.00 0.00 O ATOM 558 OD2 ASP A 40 -8.112 -6.511 -1.396 1.00 0.00 O ATOM 0 H ASP A 40 -6.390 -3.383 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.116 -3.617 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.920 -5.463 -3.351 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.480 -5.029 -2.453 1.00 0.00 H new ATOM 563 N CYS A 41 -6.694 -2.857 0.002 1.00 0.00 N ATOM 564 CA CYS A 41 -6.018 -2.205 1.112 1.00 0.00 C ATOM 565 C CYS A 41 -6.164 -3.059 2.355 1.00 0.00 C ATOM 566 O CYS A 41 -7.084 -3.869 2.451 1.00 0.00 O ATOM 567 CB CYS A 41 -6.540 -0.781 1.332 1.00 0.00 C ATOM 568 SG CYS A 41 -6.868 -0.268 3.035 1.00 0.00 S ATOM 0 H CYS A 41 -7.529 -3.370 0.284 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.958 -2.108 0.876 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.816 -0.087 0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.463 -0.669 0.763 1.00 0.00 H new ATOM 573 N HIS A 42 -5.264 -2.855 3.312 1.00 0.00 N ATOM 574 CA HIS A 42 -5.316 -3.545 4.583 1.00 0.00 C ATOM 575 C HIS A 42 -5.963 -2.556 5.544 1.00 0.00 C ATOM 576 O HIS A 42 -5.552 -1.398 5.572 1.00 0.00 O ATOM 577 CB HIS A 42 -3.893 -3.893 5.032 1.00 0.00 C ATOM 578 CG HIS A 42 -3.843 -4.914 6.124 1.00 0.00 C ATOM 579 ND1 HIS A 42 -4.427 -4.698 7.371 1.00 0.00 N ATOM 580 CD2 HIS A 42 -3.269 -6.154 6.100 1.00 0.00 C ATOM 581 CE1 HIS A 42 -4.173 -5.819 8.052 1.00 0.00 C ATOM 582 NE2 HIS A 42 -3.482 -6.723 7.337 1.00 0.00 N ATOM 0 H HIS A 42 -4.482 -2.206 3.222 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.877 -4.479 4.536 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.330 -4.262 4.175 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.396 -2.985 5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -2.747 -6.603 5.268 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.490 -5.982 9.071 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.176 -7.645 7.648 1.00 0.00 H new ATOM 590 N PRO A 43 -6.974 -2.932 6.338 1.00 0.00 N ATOM 591 CA PRO A 43 -7.555 -1.988 7.277 1.00 0.00 C ATOM 592 C PRO A 43 -6.476 -1.427 8.220 1.00 0.00 C ATOM 593 O PRO A 43 -6.631 -0.316 8.721 1.00 0.00 O ATOM 594 CB PRO A 43 -8.656 -2.759 8.011 1.00 0.00 C ATOM 595 CG PRO A 43 -8.270 -4.229 7.825 1.00 0.00 C ATOM 596 CD PRO A 43 -7.583 -4.245 6.460 1.00 0.00 C ATOM 0 HA PRO A 43 -7.979 -1.114 6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.697 -2.488 9.066 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.639 -2.549 7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.602 -4.572 8.615 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.145 -4.879 7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.835 -5.035 6.403 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -8.299 -4.425 5.658 1.00 0.00 H new ATOM 604 N ALA A 44 -5.375 -2.165 8.439 1.00 0.00 N ATOM 605 CA ALA A 44 -4.241 -1.718 9.238 1.00 0.00 C ATOM 606 C ALA A 44 -3.077 -1.222 8.360 1.00 0.00 C ATOM 607 O ALA A 44 -1.936 -1.217 8.820 1.00 0.00 O ATOM 608 CB ALA A 44 -3.799 -2.856 10.163 1.00 0.00 C ATOM 0 H ALA A 44 -5.254 -3.103 8.056 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.553 -0.865 9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.951 -2.528 10.764 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.624 -3.132 10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.508 -3.719 9.564 1.00 0.00 H new ATOM 614 N SER A 45 -3.335 -0.803 7.112 1.00 0.00 N ATOM 615 CA SER A 45 -2.337 -0.238 6.215 1.00 0.00 C ATOM 616 C SER A 45 -1.787 1.038 6.860 1.00 0.00 C ATOM 617 O SER A 45 -2.326 2.120 6.638 1.00 0.00 O ATOM 618 CB SER A 45 -2.976 0.100 4.853 1.00 0.00 C ATOM 619 OG SER A 45 -3.153 -1.020 3.999 1.00 0.00 O ATOM 0 H SER A 45 -4.266 -0.852 6.697 1.00 0.00 H new ATOM 0 HA SER A 45 -1.535 -0.957 6.048 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.945 0.568 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.353 0.836 4.344 1.00 0.00 H new ATOM 0 HG SER A 45 -2.301 -1.239 3.566 1.00 0.00 H new ATOM 625 N HIS A 46 -0.720 0.914 7.656 1.00 0.00 N ATOM 626 CA HIS A 46 -0.125 2.034 8.377 1.00 0.00 C ATOM 627 C HIS A 46 0.185 3.209 7.441 1.00 0.00 C ATOM 628 O HIS A 46 0.596 3.004 6.294 1.00 0.00 O ATOM 629 CB HIS A 46 1.115 1.576 9.152 1.00 0.00 C ATOM 630 CG HIS A 46 1.432 2.459 10.332 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.596 3.837 10.203 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.576 2.124 11.652 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.870 4.273 11.434 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.867 3.284 12.342 1.00 0.00 N ATOM 0 H HIS A 46 -0.245 0.026 7.816 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.855 2.397 9.101 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.962 0.555 9.500 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.972 1.558 8.478 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.480 1.135 12.075 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.072 5.307 11.673 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.044 3.372 13.343 1.00 0.00 H new ATOM 642 N LYS A 47 -0.004 4.429 7.944 1.00 0.00 N ATOM 643 CA LYS A 47 0.152 5.680 7.216 1.00 0.00 C ATOM 644 C LYS A 47 1.557 5.858 6.637 1.00 0.00 C ATOM 645 O LYS A 47 2.463 5.075 6.910 1.00 0.00 O ATOM 646 CB LYS A 47 -0.217 6.854 8.135 1.00 0.00 C ATOM 647 CG LYS A 47 -1.660 6.793 8.657 1.00 0.00 C ATOM 648 CD LYS A 47 -2.676 6.763 7.505 1.00 0.00 C ATOM 649 CE LYS A 47 -4.111 6.989 7.995 1.00 0.00 C ATOM 650 NZ LYS A 47 -4.316 8.354 8.513 1.00 0.00 N ATOM 0 H LYS A 47 -0.283 4.574 8.914 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.525 5.655 6.362 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.467 6.870 8.983 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.074 7.789 7.592 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.786 5.906 9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.855 7.657 9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.418 7.530 6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.615 5.802 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.806 6.805 7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.343 6.267 8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.335 8.539 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.858 8.445 9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.900 9.042 7.853 1.00 0.00 H new ATOM 664 N ILE A 48 1.714 6.877 5.791 1.00 0.00 N ATOM 665 CA ILE A 48 2.964 7.238 5.131 1.00 0.00 C ATOM 666 C ILE A 48 3.490 8.496 5.834 1.00 0.00 C ATOM 667 O ILE A 48 2.680 9.367 6.153 1.00 0.00 O ATOM 668 CB ILE A 48 2.674 7.496 3.634 1.00 0.00 C ATOM 669 CG1 ILE A 48 2.284 6.177 2.941 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.852 8.133 2.879 1.00 0.00 C ATOM 671 CD1 ILE A 48 1.632 6.396 1.574 1.00 0.00 C ATOM 0 H ILE A 48 0.943 7.495 5.539 1.00 0.00 H new ATOM 0 HA ILE A 48 3.713 6.448 5.192 1.00 0.00 H new ATOM 0 HB ILE A 48 1.852 8.211 3.602 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.174 5.559 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.597 5.624 3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.576 8.285 1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.098 9.093 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.718 7.473 2.933 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.379 5.432 1.133 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.726 6.989 1.694 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.327 6.923 0.920 1.00 0.00 H new ATOM 683 N PRO A 49 4.807 8.646 6.061 1.00 0.00 N ATOM 684 CA PRO A 49 5.864 7.688 5.776 1.00 0.00 C ATOM 685 C PRO A 49 6.019 6.691 6.930 1.00 0.00 C ATOM 686 O PRO A 49 6.184 7.090 8.082 1.00 0.00 O ATOM 687 CB PRO A 49 7.125 8.541 5.616 1.00 0.00 C ATOM 688 CG PRO A 49 6.888 9.707 6.578 1.00 0.00 C ATOM 689 CD PRO A 49 5.370 9.901 6.533 1.00 0.00 C ATOM 0 HA PRO A 49 5.655 7.093 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 49 8.024 7.982 5.876 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.249 8.886 4.589 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.234 9.474 7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.417 10.605 6.259 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.982 10.154 7.520 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.103 10.721 5.866 1.00 0.00 H new ATOM 697 N PHE A 50 6.047 5.394 6.624 1.00 0.00 N ATOM 698 CA PHE A 50 6.208 4.351 7.624 1.00 0.00 C ATOM 699 C PHE A 50 7.679 3.957 7.642 1.00 0.00 C ATOM 700 O PHE A 50 8.123 3.091 6.887 1.00 0.00 O ATOM 701 CB PHE A 50 5.325 3.147 7.288 1.00 0.00 C ATOM 702 CG PHE A 50 5.376 2.044 8.327 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.755 2.238 9.573 1.00 0.00 C ATOM 704 CD2 PHE A 50 6.082 0.852 8.076 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.803 1.230 10.551 1.00 0.00 C ATOM 706 CE2 PHE A 50 6.089 -0.174 9.036 1.00 0.00 C ATOM 707 CZ PHE A 50 5.454 0.015 10.275 1.00 0.00 C ATOM 0 H PHE A 50 5.958 5.041 5.671 1.00 0.00 H new ATOM 0 HA PHE A 50 5.903 4.711 8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.294 3.483 7.179 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.632 2.741 6.324 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.240 3.164 9.779 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.618 0.726 7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.340 1.389 11.514 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.583 -1.110 8.821 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.466 -0.772 11.014 1.00 0.00 H new ATOM 717 N SER A 51 8.443 4.624 8.510 1.00 0.00 N ATOM 718 CA SER A 51 9.866 4.374 8.689 1.00 0.00 C ATOM 719 C SER A 51 10.078 3.066 9.460 1.00 0.00 C ATOM 720 O SER A 51 10.563 3.072 10.589 1.00 0.00 O ATOM 721 CB SER A 51 10.505 5.574 9.394 1.00 0.00 C ATOM 722 OG SER A 51 10.299 6.744 8.623 1.00 0.00 O ATOM 0 H SER A 51 8.081 5.362 9.114 1.00 0.00 H new ATOM 0 HA SER A 51 10.352 4.256 7.721 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.071 5.699 10.386 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.572 5.401 9.533 1.00 0.00 H new ATOM 0 HG SER A 51 10.707 7.511 9.077 1.00 0.00 H new ATOM 728 N GLY A 52 9.699 1.951 8.838 1.00 0.00 N ATOM 729 CA GLY A 52 9.812 0.599 9.355 1.00 0.00 C ATOM 730 C GLY A 52 9.832 -0.340 8.153 1.00 0.00 C ATOM 731 O GLY A 52 10.264 0.067 7.077 1.00 0.00 O ATOM 0 H GLY A 52 9.282 1.974 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.721 0.487 9.946 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.974 0.366 10.012 1.00 0.00 H new ATOM 735 N GLN A 53 9.383 -1.588 8.307 1.00 0.00 N ATOM 736 CA GLN A 53 9.299 -2.554 7.216 1.00 0.00 C ATOM 737 C GLN A 53 7.830 -2.930 7.041 1.00 0.00 C ATOM 738 O GLN A 53 7.226 -3.525 7.932 1.00 0.00 O ATOM 739 CB GLN A 53 10.186 -3.773 7.510 1.00 0.00 C ATOM 740 CG GLN A 53 11.688 -3.439 7.500 1.00 0.00 C ATOM 741 CD GLN A 53 12.177 -2.948 6.137 1.00 0.00 C ATOM 742 OE1 GLN A 53 12.595 -3.736 5.294 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.113 -1.643 5.897 1.00 0.00 N ATOM 0 H GLN A 53 9.065 -1.957 9.203 1.00 0.00 H new ATOM 0 HA GLN A 53 9.669 -2.126 6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.917 -4.185 8.483 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.987 -4.548 6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.891 -2.675 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.254 -4.325 7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.762 -1.009 6.615 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.415 -1.275 4.995 1.00 0.00 H new ATOM 752 N ARG A 54 7.235 -2.531 5.915 1.00 0.00 N ATOM 753 CA ARG A 54 5.833 -2.788 5.640 1.00 0.00 C ATOM 754 C ARG A 54 5.591 -4.268 5.372 1.00 0.00 C ATOM 755 O ARG A 54 5.699 -4.720 4.234 1.00 0.00 O ATOM 756 CB ARG A 54 5.361 -1.962 4.443 1.00 0.00 C ATOM 757 CG ARG A 54 5.248 -0.478 4.786 1.00 0.00 C ATOM 758 CD ARG A 54 4.530 0.236 3.642 1.00 0.00 C ATOM 759 NE ARG A 54 4.239 1.633 3.981 1.00 0.00 N ATOM 760 CZ ARG A 54 3.160 2.058 4.657 1.00 0.00 C ATOM 761 NH1 ARG A 54 2.257 1.188 5.118 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.985 3.352 4.892 1.00 0.00 N ATOM 0 H ARG A 54 7.717 -2.022 5.174 1.00 0.00 H new ATOM 0 HA ARG A 54 5.262 -2.497 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.058 -2.091 3.615 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.393 -2.332 4.106 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.698 -0.346 5.718 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.238 -0.049 4.937 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.147 0.199 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.601 -0.285 3.412 1.00 0.00 H new ATOM 0 HE ARG A 54 4.911 2.339 3.679 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.383 0.189 4.958 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.441 1.523 5.630 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.672 4.028 4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.164 3.670 5.406 1.00 0.00 H new ATOM 776 N MET A 55 5.264 -5.019 6.423 1.00 0.00 N ATOM 777 CA MET A 55 4.888 -6.419 6.303 1.00 0.00 C ATOM 778 C MET A 55 3.659 -6.533 5.390 1.00 0.00 C ATOM 779 O MET A 55 3.581 -7.431 4.555 1.00 0.00 O ATOM 780 CB MET A 55 4.611 -6.981 7.704 1.00 0.00 C ATOM 781 CG MET A 55 4.327 -8.490 7.675 1.00 0.00 C ATOM 782 SD MET A 55 3.916 -9.237 9.275 1.00 0.00 S ATOM 783 CE MET A 55 5.477 -9.021 10.159 1.00 0.00 C ATOM 0 H MET A 55 5.254 -4.669 7.381 1.00 0.00 H new ATOM 0 HA MET A 55 5.694 -7.001 5.856 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.468 -6.786 8.348 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.759 -6.460 8.141 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.503 -8.674 6.985 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.202 -8.999 7.270 1.00 0.00 H new ATOM 0 HE1 MET A 55 5.441 -9.569 11.100 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.296 -9.401 9.549 1.00 0.00 H new ATOM 0 HE3 MET A 55 5.637 -7.962 10.362 1.00 0.00 H new ATOM 793 N HIS A 56 2.689 -5.627 5.563 1.00 0.00 N ATOM 794 CA HIS A 56 1.477 -5.617 4.758 1.00 0.00 C ATOM 795 C HIS A 56 1.807 -5.303 3.300 1.00 0.00 C ATOM 796 O HIS A 56 2.495 -4.328 3.005 1.00 0.00 O ATOM 797 CB HIS A 56 0.461 -4.597 5.288 1.00 0.00 C ATOM 798 CG HIS A 56 0.032 -4.809 6.713 1.00 0.00 C ATOM 799 ND1 HIS A 56 -0.355 -3.730 7.501 1.00 0.00 N ATOM 800 CD2 HIS A 56 -0.048 -5.957 7.458 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.651 -4.262 8.689 1.00 0.00 C ATOM 802 NE2 HIS A 56 -0.481 -5.593 8.717 1.00 0.00 N ATOM 0 H HIS A 56 2.728 -4.886 6.263 1.00 0.00 H new ATOM 0 HA HIS A 56 1.032 -6.610 4.822 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.890 -3.599 5.198 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.423 -4.622 4.651 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.184 -6.957 7.123 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.990 -3.684 9.536 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.640 -6.213 9.511 1.00 0.00 H new ATOM 810 N HIS A 57 1.279 -6.127 2.394 1.00 0.00 N ATOM 811 CA HIS A 57 1.471 -5.978 0.961 1.00 0.00 C ATOM 812 C HIS A 57 0.842 -4.691 0.441 1.00 0.00 C ATOM 813 O HIS A 57 1.402 -4.010 -0.414 1.00 0.00 O ATOM 814 CB HIS A 57 0.791 -7.151 0.230 1.00 0.00 C ATOM 815 CG HIS A 57 1.722 -7.969 -0.607 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.722 -9.356 -0.528 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.609 -7.570 -1.566 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.629 -9.735 -1.426 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.217 -8.706 -2.053 1.00 0.00 N ATOM 0 H HIS A 57 0.698 -6.927 2.645 1.00 0.00 H new ATOM 0 HA HIS A 57 2.545 -5.957 0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.317 -7.799 0.967 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.002 -6.758 -0.406 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.798 -6.555 -1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.867 -10.769 -1.629 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.962 -8.754 -2.748 1.00 0.00 H new ATOM 827 N THR A 58 -0.360 -4.399 0.934 1.00 0.00 N ATOM 828 CA THR A 58 -1.202 -3.342 0.421 1.00 0.00 C ATOM 829 C THR A 58 -1.073 -2.095 1.292 1.00 0.00 C ATOM 830 O THR A 58 -1.156 -2.178 2.520 1.00 0.00 O ATOM 831 CB THR A 58 -2.629 -3.885 0.376 1.00 0.00 C ATOM 832 OG1 THR A 58 -3.072 -4.150 1.691 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.705 -5.219 -0.383 1.00 0.00 C ATOM 0 H THR A 58 -0.776 -4.905 1.716 1.00 0.00 H new ATOM 0 HA THR A 58 -0.903 -3.040 -0.583 1.00 0.00 H new ATOM 0 HB THR A 58 -3.241 -3.134 -0.124 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.988 -4.497 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.736 -5.573 -0.394 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.360 -5.075 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.073 -5.956 0.112 1.00 0.00 H new ATOM 841 N CYS A 59 -0.908 -0.943 0.645 1.00 0.00 N ATOM 842 CA CYS A 59 -0.614 0.333 1.290 1.00 0.00 C ATOM 843 C CYS A 59 -1.825 1.243 1.425 1.00 0.00 C ATOM 844 O CYS A 59 -2.892 0.915 0.908 1.00 0.00 O ATOM 845 CB CYS A 59 0.512 1.022 0.510 1.00 0.00 C ATOM 846 SG CYS A 59 2.029 0.960 1.472 1.00 0.00 S ATOM 0 H CYS A 59 -0.977 -0.870 -0.370 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.301 0.127 2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 59 0.658 0.529 -0.451 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.243 2.057 0.300 1.00 0.00 H new ATOM 851 N PRO A 60 -1.668 2.375 2.141 1.00 0.00 N ATOM 852 CA PRO A 60 -2.712 3.371 2.273 1.00 0.00 C ATOM 853 C PRO A 60 -3.228 3.811 0.914 1.00 0.00 C ATOM 854 O PRO A 60 -2.570 3.644 -0.112 1.00 0.00 O ATOM 855 CB PRO A 60 -2.099 4.557 3.012 1.00 0.00 C ATOM 856 CG PRO A 60 -1.036 3.879 3.858 1.00 0.00 C ATOM 857 CD PRO A 60 -0.519 2.766 2.945 1.00 0.00 C ATOM 0 HA PRO A 60 -3.562 2.959 2.818 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.671 5.289 2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.833 5.083 3.622 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.242 4.571 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.452 3.480 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.300 3.118 2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.138 1.925 3.524 1.00 0.00 H new ATOM 865 N CYS A 61 -4.405 4.416 0.940 1.00 0.00 N ATOM 866 CA CYS A 61 -5.138 4.824 -0.242 1.00 0.00 C ATOM 867 C CYS A 61 -5.123 6.333 -0.364 1.00 0.00 C ATOM 868 O CYS A 61 -4.881 7.023 0.625 1.00 0.00 O ATOM 869 CB CYS A 61 -6.538 4.243 -0.157 1.00 0.00 C ATOM 870 SG CYS A 61 -6.488 2.447 -0.050 1.00 0.00 S ATOM 0 H CYS A 61 -4.888 4.642 1.810 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.671 4.442 -1.150 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.051 4.648 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.113 4.542 -1.033 1.00 0.00 H new ATOM 875 N ALA A 62 -5.347 6.837 -1.581 1.00 0.00 N ATOM 876 CA ALA A 62 -5.385 8.267 -1.842 1.00 0.00 C ATOM 877 C ALA A 62 -6.244 8.960 -0.776 1.00 0.00 C ATOM 878 O ALA A 62 -7.409 8.581 -0.636 1.00 0.00 O ATOM 879 CB ALA A 62 -5.965 8.541 -3.224 1.00 0.00 C ATOM 0 H ALA A 62 -5.506 6.261 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.368 8.658 -1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.986 9.616 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.346 8.059 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.979 8.144 -3.278 1.00 0.00 H new ATOM 885 N PRO A 63 -5.678 9.913 -0.013 1.00 0.00 N ATOM 886 CA PRO A 63 -6.339 10.658 1.055 1.00 0.00 C ATOM 887 C PRO A 63 -7.725 11.186 0.679 1.00 0.00 C ATOM 888 O PRO A 63 -7.881 12.325 0.254 1.00 0.00 O ATOM 889 CB PRO A 63 -5.357 11.762 1.446 1.00 0.00 C ATOM 890 CG PRO A 63 -4.034 11.024 1.277 1.00 0.00 C ATOM 891 CD PRO A 63 -4.256 10.222 -0.003 1.00 0.00 C ATOM 0 HA PRO A 63 -6.561 10.006 1.900 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.432 12.634 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.510 12.111 2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.195 11.714 1.182 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.820 10.377 2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.971 10.798 -0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.655 9.313 -0.008 1.00 0.00 H new ATOM 899 N ASN A 64 -8.708 10.309 0.865 1.00 0.00 N ATOM 900 CA ASN A 64 -10.137 10.452 0.582 1.00 0.00 C ATOM 901 C ASN A 64 -10.784 9.067 0.641 1.00 0.00 C ATOM 902 O ASN A 64 -11.834 8.886 1.254 1.00 0.00 O ATOM 903 CB ASN A 64 -10.404 11.010 -0.831 1.00 0.00 C ATOM 904 CG ASN A 64 -10.594 12.515 -0.937 1.00 0.00 C ATOM 905 OD1 ASN A 64 -10.702 13.236 0.051 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.661 12.996 -2.172 1.00 0.00 N ATOM 0 H ASN A 64 -8.506 9.389 1.256 1.00 0.00 H new ATOM 0 HA ASN A 64 -10.547 11.143 1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.572 10.724 -1.474 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.295 10.524 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -10.806 13.994 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.567 12.368 -2.970 1.00 0.00 H new ATOM 913 N LEU A 65 -10.163 8.092 -0.029 1.00 0.00 N ATOM 914 CA LEU A 65 -10.692 6.744 -0.165 1.00 0.00 C ATOM 915 C LEU A 65 -10.927 6.037 1.170 1.00 0.00 C ATOM 916 O LEU A 65 -10.152 6.192 2.113 1.00 0.00 O ATOM 917 CB LEU A 65 -9.754 5.916 -1.048 1.00 0.00 C ATOM 918 CG LEU A 65 -9.672 6.424 -2.495 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.557 5.710 -3.258 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.987 6.176 -3.229 1.00 0.00 C ATOM 0 H LEU A 65 -9.266 8.225 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.673 6.835 -0.630 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.755 5.923 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.092 4.880 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.466 7.493 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.517 6.086 -4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.602 5.896 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.755 4.638 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.907 6.543 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.200 5.107 -3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.794 6.700 -2.717 1.00 0.00 H new ATOM 932 N ALA A 66 -11.990 5.225 1.218 1.00 0.00 N ATOM 933 CA ALA A 66 -12.398 4.449 2.379 1.00 0.00 C ATOM 934 C ALA A 66 -12.108 2.968 2.123 1.00 0.00 C ATOM 935 O ALA A 66 -12.618 2.398 1.157 1.00 0.00 O ATOM 936 CB ALA A 66 -13.891 4.672 2.631 1.00 0.00 C ATOM 0 H ALA A 66 -12.607 5.091 0.417 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.841 4.767 3.261 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -14.204 4.093 3.500 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.075 5.731 2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.459 4.351 1.758 1.00 0.00 H new ATOM 942 N CYS A 67 -11.299 2.351 2.994 1.00 0.00 N ATOM 943 CA CYS A 67 -10.912 0.945 2.918 1.00 0.00 C ATOM 944 C CYS A 67 -12.053 0.089 3.467 1.00 0.00 C ATOM 945 O CYS A 67 -12.078 -0.211 4.659 1.00 0.00 O ATOM 946 CB CYS A 67 -9.631 0.726 3.736 1.00 0.00 C ATOM 947 SG CYS A 67 -8.819 -0.860 3.452 1.00 0.00 S ATOM 0 H CYS A 67 -10.886 2.834 3.792 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.718 0.660 1.884 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.927 1.526 3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.873 0.810 4.795 1.00 0.00 H new ATOM 952 N VAL A 68 -13.014 -0.283 2.619 1.00 0.00 N ATOM 953 CA VAL A 68 -14.190 -1.041 3.032 1.00 0.00 C ATOM 954 C VAL A 68 -14.033 -2.520 2.707 1.00 0.00 C ATOM 955 O VAL A 68 -13.448 -2.896 1.694 1.00 0.00 O ATOM 956 CB VAL A 68 -15.475 -0.435 2.447 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.394 -0.163 0.939 1.00 0.00 C ATOM 958 CG2 VAL A 68 -16.723 -1.277 2.745 1.00 0.00 C ATOM 0 H VAL A 68 -12.995 -0.065 1.623 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.280 -0.970 4.116 1.00 0.00 H new ATOM 0 HB VAL A 68 -15.570 0.523 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.336 0.264 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -14.583 0.538 0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.205 -1.097 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.598 -0.798 2.306 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.601 -2.272 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -16.857 -1.360 3.824 1.00 0.00 H new ATOM 968 N GLN A 69 -14.568 -3.365 3.586 1.00 0.00 N ATOM 969 CA GLN A 69 -14.516 -4.804 3.420 1.00 0.00 C ATOM 970 C GLN A 69 -15.445 -5.213 2.281 1.00 0.00 C ATOM 971 O GLN A 69 -16.634 -4.896 2.310 1.00 0.00 O ATOM 972 CB GLN A 69 -14.718 -5.493 4.779 1.00 0.00 C ATOM 973 CG GLN A 69 -16.140 -5.892 5.160 1.00 0.00 C ATOM 974 CD GLN A 69 -16.450 -7.275 4.594 1.00 0.00 C ATOM 975 OE1 GLN A 69 -16.063 -8.294 5.157 1.00 0.00 O ATOM 976 NE2 GLN A 69 -17.071 -7.320 3.425 1.00 0.00 N ATOM 0 H GLN A 69 -15.049 -3.064 4.433 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.534 -5.154 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.100 -6.391 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.336 -4.828 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.249 -5.899 6.245 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.850 -5.161 4.773 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -17.382 -6.457 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -17.238 -8.218 2.971 1.00 0.00 H new ATOM 985 N THR A 70 -14.907 -5.904 1.274 1.00 0.00 N ATOM 986 CA THR A 70 -15.698 -6.486 0.195 1.00 0.00 C ATOM 987 C THR A 70 -15.886 -7.974 0.510 1.00 0.00 C ATOM 988 O THR A 70 -16.883 -8.584 0.127 1.00 0.00 O ATOM 989 CB THR A 70 -15.085 -6.181 -1.178 1.00 0.00 C ATOM 990 OG1 THR A 70 -13.799 -6.738 -1.346 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.998 -4.664 -1.380 1.00 0.00 C ATOM 0 H THR A 70 -13.905 -6.075 1.186 1.00 0.00 H new ATOM 0 HA THR A 70 -16.688 -6.035 0.134 1.00 0.00 H new ATOM 0 HB THR A 70 -15.740 -6.638 -1.920 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.326 -6.734 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.562 -4.451 -2.356 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.997 -4.232 -1.327 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.373 -4.228 -0.601 1.00 0.00 H new ATOM 999 N SER A 71 -14.949 -8.562 1.259 1.00 0.00 N ATOM 1000 CA SER A 71 -15.031 -9.896 1.832 1.00 0.00 C ATOM 1001 C SER A 71 -14.037 -9.901 3.001 1.00 0.00 C ATOM 1002 O SER A 71 -13.241 -8.963 3.096 1.00 0.00 O ATOM 1003 CB SER A 71 -14.695 -10.985 0.799 1.00 0.00 C ATOM 1004 OG SER A 71 -15.123 -10.637 -0.505 1.00 0.00 O ATOM 0 H SER A 71 -14.073 -8.093 1.490 1.00 0.00 H new ATOM 0 HA SER A 71 -16.044 -10.122 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.619 -11.157 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 71 -15.166 -11.922 1.096 1.00 0.00 H new ATOM 0 HG SER A 71 -15.490 -11.429 -0.951 1.00 0.00 H new ATOM 1010 N PRO A 72 -14.054 -10.908 3.890 1.00 0.00 N ATOM 1011 CA PRO A 72 -13.071 -11.008 4.957 1.00 0.00 C ATOM 1012 C PRO A 72 -11.668 -10.921 4.350 1.00 0.00 C ATOM 1013 O PRO A 72 -11.408 -11.568 3.336 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.331 -12.361 5.627 1.00 0.00 C ATOM 1015 CG PRO A 72 -14.822 -12.584 5.370 1.00 0.00 C ATOM 1016 CD PRO A 72 -15.012 -11.997 3.971 1.00 0.00 C ATOM 0 HA PRO A 72 -13.146 -10.206 5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.722 -13.153 5.190 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.103 -12.335 6.693 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.085 -13.641 5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.441 -12.076 6.110 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.826 -12.745 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.031 -11.638 3.828 1.00 0.00 H new ATOM 1024 N LYS A 73 -10.796 -10.081 4.918 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.441 -9.794 4.444 1.00 0.00 C ATOM 1026 C LYS A 73 -9.463 -8.927 3.176 1.00 0.00 C ATOM 1027 O LYS A 73 -8.748 -7.929 3.099 1.00 0.00 O ATOM 1028 CB LYS A 73 -8.594 -11.064 4.255 1.00 0.00 C ATOM 1029 CG LYS A 73 -8.581 -11.946 5.511 1.00 0.00 C ATOM 1030 CD LYS A 73 -7.641 -13.140 5.300 1.00 0.00 C ATOM 1031 CE LYS A 73 -7.679 -14.115 6.483 1.00 0.00 C ATOM 1032 NZ LYS A 73 -7.210 -13.490 7.732 1.00 0.00 N ATOM 0 H LYS A 73 -11.029 -9.558 5.762 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.951 -9.219 5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.985 -11.638 3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.572 -10.782 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.255 -11.363 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.589 -12.299 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.922 -13.666 4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.622 -12.779 5.160 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.698 -14.478 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.059 -14.983 6.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.172 -14.206 8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.261 -13.091 7.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.866 -12.731 8.008 1.00 0.00 H new ATOM 1046 N LYS A 74 -10.294 -9.284 2.193 1.00 0.00 N ATOM 1047 CA LYS A 74 -10.447 -8.553 0.946 1.00 0.00 C ATOM 1048 C LYS A 74 -11.145 -7.211 1.197 1.00 0.00 C ATOM 1049 O LYS A 74 -12.345 -7.046 0.953 1.00 0.00 O ATOM 1050 CB LYS A 74 -11.194 -9.419 -0.080 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.059 -8.850 -1.500 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.114 -9.386 -2.481 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.017 -10.888 -2.778 1.00 0.00 C ATOM 1054 NZ LYS A 74 -12.630 -11.708 -1.719 1.00 0.00 N ATOM 0 H LYS A 74 -10.890 -10.110 2.250 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.465 -8.328 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.801 -10.435 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.248 -9.478 0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.135 -7.764 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.066 -9.085 -1.883 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.104 -9.173 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.027 -8.839 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.507 -11.101 -3.728 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.969 -11.167 -2.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.926 -12.623 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.938 -11.867 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.460 -11.214 -1.334 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.377 -6.237 1.680 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.827 -4.872 1.881 1.00 0.00 C ATOM 1070 C PHE A 75 -10.331 -4.062 0.688 1.00 0.00 C ATOM 1071 O PHE A 75 -9.164 -4.167 0.317 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.300 -4.297 3.201 1.00 0.00 C ATOM 1073 CG PHE A 75 -11.053 -4.669 4.469 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -11.209 -6.017 4.845 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.479 -3.655 5.350 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.700 -6.345 6.122 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -11.974 -3.982 6.623 1.00 0.00 C ATOM 1078 CZ PHE A 75 -12.060 -5.327 7.020 1.00 0.00 C ATOM 0 H PHE A 75 -9.404 -6.384 1.947 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.914 -4.834 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.264 -4.614 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.294 -3.210 3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.951 -6.802 4.150 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.425 -2.621 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.800 -7.381 6.412 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.289 -3.199 7.297 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.402 -5.577 8.013 1.00 0.00 H new ATOM 1088 N LYS A 76 -11.217 -3.283 0.066 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.896 -2.466 -1.089 1.00 0.00 C ATOM 1090 C LYS A 76 -11.223 -1.006 -0.808 1.00 0.00 C ATOM 1091 O LYS A 76 -12.117 -0.684 -0.023 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.586 -3.000 -2.349 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.168 -4.457 -2.606 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.203 -4.808 -4.098 1.00 0.00 C ATOM 1095 CE LYS A 76 -12.625 -4.911 -4.658 1.00 0.00 C ATOM 1096 NZ LYS A 76 -13.321 -6.113 -4.165 1.00 0.00 N ATOM 0 H LYS A 76 -12.191 -3.206 0.360 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.825 -2.523 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.668 -2.939 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.322 -2.382 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.162 -4.620 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.832 -5.127 -2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.653 -4.050 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.688 -5.756 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.191 -4.023 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.586 -4.934 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.291 -6.130 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.813 -6.963 -4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.351 -6.095 -3.126 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.458 -0.124 -1.444 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.553 1.309 -1.244 1.00 0.00 C ATOM 1112 C CYS A 77 -11.495 1.946 -2.241 1.00 0.00 C ATOM 1113 O CYS A 77 -11.150 2.078 -3.413 1.00 0.00 O ATOM 1114 CB CYS A 77 -9.165 1.932 -1.288 1.00 0.00 C ATOM 1115 SG CYS A 77 -8.449 1.993 0.359 1.00 0.00 S ATOM 0 H CYS A 77 -9.745 -0.394 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.976 1.497 -0.257 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.521 1.353 -1.950 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.225 2.938 -1.702 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.676 2.354 -1.773 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.679 2.982 -2.619 1.00 0.00 C ATOM 1122 C LEU A 78 -13.768 4.480 -2.331 1.00 0.00 C ATOM 1123 O LEU A 78 -13.475 4.924 -1.218 1.00 0.00 O ATOM 1124 CB LEU A 78 -15.040 2.300 -2.424 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.025 0.789 -2.719 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -16.455 0.245 -2.615 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.480 0.468 -4.117 1.00 0.00 C ATOM 0 H LEU A 78 -12.959 2.256 -0.798 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.382 2.861 -3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.371 2.457 -1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.773 2.780 -3.072 1.00 0.00 H new ATOM 0 HG LEU A 78 -14.366 0.321 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -16.453 -0.825 -2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.838 0.419 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.091 0.754 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.491 -0.611 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.103 0.950 -4.870 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -13.458 0.836 -4.202 1.00 0.00 H new ATOM 1139 N SER A 79 -14.184 5.226 -3.361 1.00 0.00 N ATOM 1140 CA SER A 79 -14.458 6.648 -3.489 1.00 0.00 C ATOM 1141 C SER A 79 -13.531 7.327 -4.502 1.00 0.00 C ATOM 1142 O SER A 79 -13.079 6.669 -5.439 1.00 0.00 O ATOM 1143 CB SER A 79 -14.602 7.363 -2.145 1.00 0.00 C ATOM 1144 OG SER A 79 -15.495 6.680 -1.287 1.00 0.00 O ATOM 0 H SER A 79 -14.360 4.766 -4.254 1.00 0.00 H new ATOM 0 HA SER A 79 -15.453 6.744 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.625 7.442 -1.667 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.959 8.380 -2.309 1.00 0.00 H new ATOM 0 HG SER A 79 -15.004 6.003 -0.776 1.00 0.00 H new ATOM 1150 N LYS A 80 -13.295 8.629 -4.336 1.00 0.00 N ATOM 1151 CA LYS A 80 -12.429 9.512 -5.091 1.00 0.00 C ATOM 1152 C LYS A 80 -12.070 10.582 -4.059 1.00 0.00 C ATOM 1153 O LYS A 80 -11.001 11.217 -4.189 1.00 0.00 O ATOM 1154 CB LYS A 80 -13.178 10.160 -6.268 1.00 0.00 C ATOM 1155 CG LYS A 80 -13.606 9.199 -7.386 1.00 0.00 C ATOM 1156 CD LYS A 80 -12.401 8.590 -8.112 1.00 0.00 C ATOM 1157 CE LYS A 80 -12.868 7.712 -9.277 1.00 0.00 C ATOM 1158 NZ LYS A 80 -11.725 7.110 -9.985 1.00 0.00 N ATOM 1159 OXT LYS A 80 -12.882 10.716 -3.113 1.00 0.00 O ATOM 0 H LYS A 80 -13.761 9.138 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.572 8.996 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.067 10.658 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.542 10.933 -6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -14.216 8.401 -6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.230 9.732 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.753 9.384 -8.483 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.810 7.996 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.522 6.925 -8.902 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.456 8.310 -9.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -12.052 6.692 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.015 7.843 -10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.300 6.369 -9.392 1.00 0.00 H new