USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 380 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 NoAdj-H: A 155 HIS HD1 : A 155 HIS ND1 : A 183 ZNZN :(H bumps) USER MOD NoAdj-H: A 158 HIS HD1 : A 158 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Single : A 128 MET CE :methyl -152:sc= 0 (180deg=-0.431) USER MOD Single : A 164 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 168 SER OG : rot -105:sc= 0.305 USER MOD Single : A 169 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.46) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot -116:sc= 0.552 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 23.249 2.196 -4.875 1.00 0.00 N ATOM 2 CA ALA A 127 22.146 3.114 -5.280 1.00 0.00 C ATOM 3 C ALA A 127 20.802 2.410 -5.089 1.00 0.00 C ATOM 4 O ALA A 127 19.974 2.835 -4.307 1.00 0.00 O ATOM 5 CB ALA A 127 22.317 3.499 -6.751 1.00 0.00 C ATOM 0 HA ALA A 127 22.176 4.013 -4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 127 21.511 4.170 -7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 127 23.275 4.001 -6.887 1.00 0.00 H new ATOM 0 HB3 ALA A 127 22.287 2.601 -7.368 1.00 0.00 H new ATOM 13 N MET A 128 20.577 1.336 -5.796 1.00 0.00 N ATOM 14 CA MET A 128 19.286 0.607 -5.652 1.00 0.00 C ATOM 15 C MET A 128 18.147 1.470 -6.202 1.00 0.00 C ATOM 16 O MET A 128 17.942 2.589 -5.777 1.00 0.00 O ATOM 17 CB MET A 128 19.030 0.310 -4.173 1.00 0.00 C ATOM 18 CG MET A 128 17.969 -0.786 -4.048 1.00 0.00 C ATOM 19 SD MET A 128 18.679 -2.219 -3.201 1.00 0.00 S ATOM 20 CE MET A 128 17.308 -3.362 -3.497 1.00 0.00 C ATOM 0 H MET A 128 21.231 0.933 -6.467 1.00 0.00 H new ATOM 0 HA MET A 128 19.334 -0.329 -6.209 1.00 0.00 H new ATOM 0 HB2 MET A 128 19.954 -0.007 -3.690 1.00 0.00 H new ATOM 0 HB3 MET A 128 18.697 1.213 -3.662 1.00 0.00 H new ATOM 0 HG2 MET A 128 17.108 -0.412 -3.494 1.00 0.00 H new ATOM 0 HG3 MET A 128 17.611 -1.075 -5.036 1.00 0.00 H new ATOM 0 HE1 MET A 128 17.272 -4.102 -2.697 1.00 0.00 H new ATOM 0 HE2 MET A 128 16.370 -2.807 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 128 17.455 -3.867 -4.452 1.00 0.00 H new ATOM 30 N ASP A 129 17.404 0.957 -7.145 1.00 0.00 N ATOM 31 CA ASP A 129 16.279 1.746 -7.718 1.00 0.00 C ATOM 32 C ASP A 129 15.053 1.615 -6.813 1.00 0.00 C ATOM 33 O ASP A 129 14.491 0.548 -6.665 1.00 0.00 O ATOM 34 CB ASP A 129 15.944 1.214 -9.113 1.00 0.00 C ATOM 35 CG ASP A 129 16.774 1.961 -10.159 1.00 0.00 C ATOM 36 OD1 ASP A 129 16.604 3.164 -10.272 1.00 0.00 O ATOM 37 OD2 ASP A 129 17.564 1.318 -10.830 1.00 0.00 O ATOM 0 H ASP A 129 17.528 0.026 -7.542 1.00 0.00 H new ATOM 0 HA ASP A 129 16.567 2.795 -7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 129 16.151 0.145 -9.165 1.00 0.00 H new ATOM 0 HB3 ASP A 129 14.881 1.343 -9.317 1.00 0.00 H new ATOM 42 N ASP A 130 14.635 2.691 -6.203 1.00 0.00 N ATOM 43 CA ASP A 130 13.446 2.624 -5.308 1.00 0.00 C ATOM 44 C ASP A 130 12.422 3.676 -5.738 1.00 0.00 C ATOM 45 O ASP A 130 12.758 4.817 -5.988 1.00 0.00 O ATOM 46 CB ASP A 130 13.878 2.894 -3.865 1.00 0.00 C ATOM 47 CG ASP A 130 12.670 2.764 -2.937 1.00 0.00 C ATOM 48 OD1 ASP A 130 11.606 3.229 -3.312 1.00 0.00 O ATOM 49 OD2 ASP A 130 12.829 2.202 -1.866 1.00 0.00 O ATOM 0 H ASP A 130 15.065 3.612 -6.286 1.00 0.00 H new ATOM 0 HA ASP A 130 12.998 1.633 -5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 130 14.655 2.189 -3.569 1.00 0.00 H new ATOM 0 HB3 ASP A 130 14.306 3.893 -3.784 1.00 0.00 H new ATOM 54 N GLY A 131 11.175 3.303 -5.828 1.00 0.00 N ATOM 55 CA GLY A 131 10.132 4.283 -6.243 1.00 0.00 C ATOM 56 C GLY A 131 8.883 4.101 -5.378 1.00 0.00 C ATOM 57 O GLY A 131 8.349 5.046 -4.836 1.00 0.00 O ATOM 0 H GLY A 131 10.833 2.362 -5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 131 10.512 5.299 -6.141 1.00 0.00 H new ATOM 0 HA3 GLY A 131 9.882 4.140 -7.294 1.00 0.00 H new ATOM 61 N VAL A 132 8.413 2.890 -5.245 1.00 0.00 N ATOM 62 CA VAL A 132 7.199 2.649 -4.415 1.00 0.00 C ATOM 63 C VAL A 132 7.622 2.227 -3.007 1.00 0.00 C ATOM 64 O VAL A 132 8.525 1.432 -2.831 1.00 0.00 O ATOM 65 CB VAL A 132 6.359 1.539 -5.049 1.00 0.00 C ATOM 66 CG1 VAL A 132 4.951 1.559 -4.451 1.00 0.00 C ATOM 67 CG2 VAL A 132 6.274 1.764 -6.560 1.00 0.00 C ATOM 0 H VAL A 132 8.817 2.058 -5.675 1.00 0.00 H new ATOM 0 HA VAL A 132 6.609 3.564 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 132 6.824 0.573 -4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.353 0.768 -4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.011 1.399 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.485 2.524 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.676 0.973 -7.012 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.809 2.730 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.277 1.749 -6.987 1.00 0.00 H new ATOM 77 N GLU A 133 6.977 2.750 -2.000 1.00 0.00 N ATOM 78 CA GLU A 133 7.346 2.374 -0.606 1.00 0.00 C ATOM 79 C GLU A 133 6.104 1.938 0.168 1.00 0.00 C ATOM 80 O GLU A 133 5.038 2.507 0.037 1.00 0.00 O ATOM 81 CB GLU A 133 7.987 3.567 0.102 1.00 0.00 C ATOM 82 CG GLU A 133 9.503 3.521 -0.090 1.00 0.00 C ATOM 83 CD GLU A 133 9.883 4.285 -1.360 1.00 0.00 C ATOM 84 OE1 GLU A 133 9.029 4.427 -2.219 1.00 0.00 O ATOM 85 OE2 GLU A 133 11.021 4.716 -1.450 1.00 0.00 O ATOM 0 H GLU A 133 6.212 3.420 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 133 8.055 1.547 -0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 133 7.587 4.499 -0.299 1.00 0.00 H new ATOM 0 HB3 GLU A 133 7.744 3.546 1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.003 3.960 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 133 9.839 2.487 -0.161 1.00 0.00 H new ATOM 92 N CYS A 134 6.247 0.935 0.986 1.00 0.00 N ATOM 93 CA CYS A 134 5.099 0.445 1.795 1.00 0.00 C ATOM 94 C CYS A 134 4.838 1.436 2.930 1.00 0.00 C ATOM 95 O CYS A 134 5.638 1.586 3.830 1.00 0.00 O ATOM 96 CB CYS A 134 5.473 -0.915 2.377 1.00 0.00 C ATOM 97 SG CYS A 134 4.024 -1.754 3.067 1.00 0.00 S ATOM 0 H CYS A 134 7.120 0.428 1.130 1.00 0.00 H new ATOM 0 HA CYS A 134 4.203 0.354 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 134 5.920 -1.535 1.600 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.226 -0.786 3.154 1.00 0.00 H new ATOM 102 N ALA A 135 3.732 2.122 2.893 1.00 0.00 N ATOM 103 CA ALA A 135 3.439 3.105 3.972 1.00 0.00 C ATOM 104 C ALA A 135 3.213 2.363 5.290 1.00 0.00 C ATOM 105 O ALA A 135 3.100 2.965 6.340 1.00 0.00 O ATOM 106 CB ALA A 135 2.181 3.898 3.612 1.00 0.00 C ATOM 0 H ALA A 135 3.021 2.046 2.166 1.00 0.00 H new ATOM 0 HA ALA A 135 4.281 3.788 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 135 1.966 4.618 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.341 4.427 2.673 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.338 3.215 3.505 1.00 0.00 H new ATOM 112 N VAL A 136 3.136 1.059 5.247 1.00 0.00 N ATOM 113 CA VAL A 136 2.906 0.291 6.501 1.00 0.00 C ATOM 114 C VAL A 136 4.228 -0.266 7.044 1.00 0.00 C ATOM 115 O VAL A 136 4.679 0.129 8.101 1.00 0.00 O ATOM 116 CB VAL A 136 1.949 -0.861 6.215 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.770 -1.699 7.483 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.594 -0.301 5.779 1.00 0.00 C ATOM 0 H VAL A 136 3.222 0.496 4.401 1.00 0.00 H new ATOM 0 HA VAL A 136 2.476 0.958 7.249 1.00 0.00 H new ATOM 0 HB VAL A 136 2.357 -1.485 5.420 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.086 -2.523 7.281 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.735 -2.097 7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.361 -1.074 8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.091 -1.124 5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.185 0.322 6.574 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.721 0.298 4.877 1.00 0.00 H new ATOM 128 N CYS A 137 4.859 -1.182 6.347 1.00 0.00 N ATOM 129 CA CYS A 137 6.141 -1.734 6.874 1.00 0.00 C ATOM 130 C CYS A 137 7.328 -0.968 6.281 1.00 0.00 C ATOM 131 O CYS A 137 8.444 -1.079 6.748 1.00 0.00 O ATOM 132 CB CYS A 137 6.269 -3.234 6.559 1.00 0.00 C ATOM 133 SG CYS A 137 6.771 -3.493 4.839 1.00 0.00 S ATOM 0 H CYS A 137 4.547 -1.563 5.454 1.00 0.00 H new ATOM 0 HA CYS A 137 6.142 -1.613 7.957 1.00 0.00 H new ATOM 0 HB2 CYS A 137 7.000 -3.689 7.228 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.316 -3.731 6.743 1.00 0.00 H new ATOM 138 N LEU A 138 7.100 -0.191 5.257 1.00 0.00 N ATOM 139 CA LEU A 138 8.216 0.579 4.641 1.00 0.00 C ATOM 140 C LEU A 138 9.317 -0.390 4.213 1.00 0.00 C ATOM 141 O LEU A 138 10.491 -0.121 4.367 1.00 0.00 O ATOM 142 CB LEU A 138 8.773 1.569 5.663 1.00 0.00 C ATOM 143 CG LEU A 138 7.676 2.549 6.080 1.00 0.00 C ATOM 144 CD1 LEU A 138 7.918 3.005 7.520 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.701 3.765 5.151 1.00 0.00 C ATOM 0 H LEU A 138 6.188 -0.057 4.821 1.00 0.00 H new ATOM 0 HA LEU A 138 7.852 1.125 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.147 1.034 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.616 2.112 5.236 1.00 0.00 H new ATOM 0 HG LEU A 138 6.705 2.058 6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.136 3.704 7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 138 7.903 2.140 8.183 1.00 0.00 H new ATOM 0 HD13 LEU A 138 8.888 3.497 7.588 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.919 4.465 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.672 4.255 5.219 1.00 0.00 H new ATOM 0 HD23 LEU A 138 7.529 3.442 4.124 1.00 0.00 H new ATOM 157 N ALA A 139 8.942 -1.517 3.676 1.00 0.00 N ATOM 158 CA ALA A 139 9.962 -2.510 3.237 1.00 0.00 C ATOM 159 C ALA A 139 10.091 -2.468 1.713 1.00 0.00 C ATOM 160 O ALA A 139 9.119 -2.592 0.994 1.00 0.00 O ATOM 161 CB ALA A 139 9.531 -3.910 3.675 1.00 0.00 C ATOM 0 H ALA A 139 7.972 -1.794 3.522 1.00 0.00 H new ATOM 0 HA ALA A 139 10.924 -2.268 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.277 -4.637 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.439 -3.939 4.761 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.569 -4.153 3.223 1.00 0.00 H new ATOM 167 N GLU A 140 11.285 -2.296 1.214 1.00 0.00 N ATOM 168 CA GLU A 140 11.475 -2.248 -0.262 1.00 0.00 C ATOM 169 C GLU A 140 10.690 -3.387 -0.913 1.00 0.00 C ATOM 170 O GLU A 140 10.977 -4.550 -0.706 1.00 0.00 O ATOM 171 CB GLU A 140 12.962 -2.400 -0.589 1.00 0.00 C ATOM 172 CG GLU A 140 13.769 -1.382 0.218 1.00 0.00 C ATOM 173 CD GLU A 140 15.037 -1.008 -0.553 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.197 -1.491 -1.661 1.00 0.00 O ATOM 175 OE2 GLU A 140 15.827 -0.246 -0.021 1.00 0.00 O ATOM 0 H GLU A 140 12.136 -2.187 1.765 1.00 0.00 H new ATOM 0 HA GLU A 140 11.115 -1.293 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.295 -3.411 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.128 -2.248 -1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.168 -0.492 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 140 14.032 -1.799 1.190 1.00 0.00 H new ATOM 182 N LEU A 141 9.700 -3.063 -1.698 1.00 0.00 N ATOM 183 CA LEU A 141 8.896 -4.127 -2.361 1.00 0.00 C ATOM 184 C LEU A 141 9.812 -5.005 -3.215 1.00 0.00 C ATOM 185 O LEU A 141 10.132 -4.674 -4.340 1.00 0.00 O ATOM 186 CB LEU A 141 7.833 -3.480 -3.252 1.00 0.00 C ATOM 187 CG LEU A 141 6.745 -2.858 -2.377 1.00 0.00 C ATOM 188 CD1 LEU A 141 5.927 -1.866 -3.207 1.00 0.00 C ATOM 189 CD2 LEU A 141 5.824 -3.960 -1.849 1.00 0.00 C ATOM 0 H LEU A 141 9.413 -2.107 -1.909 1.00 0.00 H new ATOM 0 HA LEU A 141 8.411 -4.741 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.288 -2.717 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.398 -4.226 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 141 7.207 -2.337 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.151 -1.422 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.582 -1.081 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.465 -2.387 -4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.048 -3.517 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.362 -4.481 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.405 -4.668 -1.258 1.00 0.00 H new ATOM 201 N GLU A 142 10.237 -6.122 -2.690 1.00 0.00 N ATOM 202 CA GLU A 142 11.130 -7.020 -3.473 1.00 0.00 C ATOM 203 C GLU A 142 10.298 -8.140 -4.102 1.00 0.00 C ATOM 204 O GLU A 142 9.112 -8.255 -3.860 1.00 0.00 O ATOM 205 CB GLU A 142 12.185 -7.627 -2.544 1.00 0.00 C ATOM 206 CG GLU A 142 13.317 -6.620 -2.332 1.00 0.00 C ATOM 207 CD GLU A 142 14.569 -7.095 -3.072 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.540 -7.117 -4.291 1.00 0.00 O ATOM 209 OE2 GLU A 142 15.535 -7.429 -2.406 1.00 0.00 O ATOM 0 H GLU A 142 10.004 -6.451 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 142 11.625 -6.448 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.734 -7.891 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.579 -8.547 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 142 13.017 -5.638 -2.697 1.00 0.00 H new ATOM 0 HG3 GLU A 142 13.529 -6.514 -1.268 1.00 0.00 H new ATOM 216 N ASP A 143 10.907 -8.964 -4.908 1.00 0.00 N ATOM 217 CA ASP A 143 10.148 -10.074 -5.553 1.00 0.00 C ATOM 218 C ASP A 143 9.802 -11.133 -4.504 1.00 0.00 C ATOM 219 O ASP A 143 10.459 -11.255 -3.489 1.00 0.00 O ATOM 220 CB ASP A 143 11.004 -10.706 -6.653 1.00 0.00 C ATOM 221 CG ASP A 143 11.138 -9.727 -7.820 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.220 -9.664 -8.622 1.00 0.00 O ATOM 223 OD2 ASP A 143 12.154 -9.057 -7.893 1.00 0.00 O ATOM 0 H ASP A 143 11.897 -8.918 -5.149 1.00 0.00 H new ATOM 0 HA ASP A 143 9.229 -9.681 -5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 143 11.989 -10.959 -6.262 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.548 -11.635 -6.994 1.00 0.00 H new ATOM 228 N GLY A 144 8.772 -11.900 -4.741 1.00 0.00 N ATOM 229 CA GLY A 144 8.384 -12.952 -3.759 1.00 0.00 C ATOM 230 C GLY A 144 7.361 -12.384 -2.776 1.00 0.00 C ATOM 231 O GLY A 144 7.215 -12.865 -1.670 1.00 0.00 O ATOM 0 H GLY A 144 8.183 -11.843 -5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 144 7.964 -13.813 -4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.264 -13.304 -3.221 1.00 0.00 H new ATOM 235 N GLU A 145 6.650 -11.362 -3.169 1.00 0.00 N ATOM 236 CA GLU A 145 5.637 -10.766 -2.255 1.00 0.00 C ATOM 237 C GLU A 145 4.336 -10.520 -3.022 1.00 0.00 C ATOM 238 O GLU A 145 4.291 -10.608 -4.233 1.00 0.00 O ATOM 239 CB GLU A 145 6.162 -9.436 -1.707 1.00 0.00 C ATOM 240 CG GLU A 145 7.114 -9.705 -0.539 1.00 0.00 C ATOM 241 CD GLU A 145 8.179 -8.609 -0.488 1.00 0.00 C ATOM 242 OE1 GLU A 145 8.093 -7.688 -1.284 1.00 0.00 O ATOM 243 OE2 GLU A 145 9.063 -8.708 0.347 1.00 0.00 O ATOM 0 H GLU A 145 6.727 -10.915 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 145 5.448 -11.452 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.680 -8.886 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.331 -8.813 -1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 145 6.559 -9.731 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.586 -10.680 -0.657 1.00 0.00 H new ATOM 250 N GLU A 146 3.277 -10.208 -2.326 1.00 0.00 N ATOM 251 CA GLU A 146 1.980 -9.950 -3.012 1.00 0.00 C ATOM 252 C GLU A 146 1.523 -8.526 -2.695 1.00 0.00 C ATOM 253 O GLU A 146 0.643 -8.311 -1.887 1.00 0.00 O ATOM 254 CB GLU A 146 0.932 -10.950 -2.517 1.00 0.00 C ATOM 255 CG GLU A 146 1.390 -12.374 -2.837 1.00 0.00 C ATOM 256 CD GLU A 146 2.501 -12.784 -1.868 1.00 0.00 C ATOM 257 OE1 GLU A 146 2.235 -12.827 -0.678 1.00 0.00 O ATOM 258 OE2 GLU A 146 3.597 -13.048 -2.333 1.00 0.00 O ATOM 0 H GLU A 146 3.254 -10.121 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 146 2.103 -10.064 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 146 0.786 -10.837 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -0.029 -10.751 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 146 0.550 -13.064 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 146 1.750 -12.429 -3.864 1.00 0.00 H new ATOM 265 N ALA A 147 2.119 -7.550 -3.319 1.00 0.00 N ATOM 266 CA ALA A 147 1.725 -6.140 -3.045 1.00 0.00 C ATOM 267 C ALA A 147 0.410 -5.817 -3.755 1.00 0.00 C ATOM 268 O ALA A 147 0.155 -6.273 -4.853 1.00 0.00 O ATOM 269 CB ALA A 147 2.822 -5.203 -3.554 1.00 0.00 C ATOM 0 H ALA A 147 2.862 -7.667 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 147 1.592 -6.005 -1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.538 -4.169 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.758 -5.427 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 147 2.952 -5.344 -4.627 1.00 0.00 H new ATOM 275 N ARG A 148 -0.425 -5.030 -3.136 1.00 0.00 N ATOM 276 CA ARG A 148 -1.723 -4.671 -3.764 1.00 0.00 C ATOM 277 C ARG A 148 -1.689 -3.199 -4.199 1.00 0.00 C ATOM 278 O ARG A 148 -1.467 -2.310 -3.401 1.00 0.00 O ATOM 279 CB ARG A 148 -2.846 -4.886 -2.746 1.00 0.00 C ATOM 280 CG ARG A 148 -2.817 -6.336 -2.257 1.00 0.00 C ATOM 281 CD ARG A 148 -4.115 -6.651 -1.511 1.00 0.00 C ATOM 282 NE ARG A 148 -4.348 -8.122 -1.522 1.00 0.00 N ATOM 283 CZ ARG A 148 -5.454 -8.612 -1.031 1.00 0.00 C ATOM 284 NH1 ARG A 148 -6.572 -7.948 -1.149 1.00 0.00 N ATOM 285 NH2 ARG A 148 -5.442 -9.766 -0.423 1.00 0.00 N ATOM 0 H ARG A 148 -0.261 -4.619 -2.217 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.899 -5.298 -4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.724 -4.204 -1.904 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.811 -4.663 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -2.698 -7.013 -3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.961 -6.492 -1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -4.054 -6.289 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.952 -6.136 -1.982 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.643 -8.747 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -6.582 -7.046 -1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -7.436 -8.331 -0.765 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -4.569 -10.285 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -6.306 -10.149 -0.039 1.00 0.00 H new ATOM 299 N PHE A 149 -1.907 -2.941 -5.462 1.00 0.00 N ATOM 300 CA PHE A 149 -1.889 -1.533 -5.961 1.00 0.00 C ATOM 301 C PHE A 149 -3.332 -1.041 -6.123 1.00 0.00 C ATOM 302 O PHE A 149 -4.218 -1.808 -6.443 1.00 0.00 O ATOM 303 CB PHE A 149 -1.186 -1.489 -7.319 1.00 0.00 C ATOM 304 CG PHE A 149 0.295 -1.707 -7.129 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.770 -2.946 -6.681 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.194 -0.669 -7.401 1.00 0.00 C ATOM 307 CE1 PHE A 149 2.144 -3.146 -6.506 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.568 -0.870 -7.226 1.00 0.00 C ATOM 309 CZ PHE A 149 3.043 -2.108 -6.778 1.00 0.00 C ATOM 0 H PHE A 149 -2.098 -3.648 -6.173 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.359 -0.896 -5.253 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.595 -2.256 -7.977 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.364 -0.528 -7.801 1.00 0.00 H new ATOM 0 HD1 PHE A 149 0.076 -3.747 -6.471 1.00 0.00 H new ATOM 0 HD2 PHE A 149 0.827 0.287 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 149 2.511 -4.101 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.262 -0.070 -7.437 1.00 0.00 H new ATOM 0 HZ PHE A 149 4.103 -2.262 -6.642 1.00 0.00 H new ATOM 319 N LEU A 150 -3.588 0.224 -5.905 1.00 0.00 N ATOM 320 CA LEU A 150 -4.988 0.723 -6.055 1.00 0.00 C ATOM 321 C LEU A 150 -5.135 1.480 -7.382 1.00 0.00 C ATOM 322 O LEU A 150 -4.161 1.931 -7.948 1.00 0.00 O ATOM 323 CB LEU A 150 -5.334 1.642 -4.881 1.00 0.00 C ATOM 324 CG LEU A 150 -4.909 0.975 -3.567 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.604 1.668 -2.397 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.306 -0.505 -3.582 1.00 0.00 C ATOM 0 H LEU A 150 -2.898 0.925 -5.633 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.674 -0.124 -6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -4.828 2.601 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.405 1.846 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 150 -3.828 1.059 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.303 1.195 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.322 2.721 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.684 1.584 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.001 -0.973 -2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.387 -0.591 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.813 -1.006 -4.415 1.00 0.00 H new ATOM 338 N PRO A 151 -6.357 1.571 -7.847 1.00 0.00 N ATOM 339 CA PRO A 151 -6.684 2.238 -9.122 1.00 0.00 C ATOM 340 C PRO A 151 -6.708 3.767 -8.986 1.00 0.00 C ATOM 341 O PRO A 151 -6.211 4.476 -9.838 1.00 0.00 O ATOM 342 CB PRO A 151 -8.083 1.709 -9.451 1.00 0.00 C ATOM 343 CG PRO A 151 -8.701 1.243 -8.111 1.00 0.00 C ATOM 344 CD PRO A 151 -7.529 1.011 -7.140 1.00 0.00 C ATOM 0 HA PRO A 151 -5.943 2.030 -9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -8.694 2.486 -9.911 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.029 0.884 -10.161 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.386 1.995 -7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.277 0.328 -8.248 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -7.696 1.512 -6.187 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.395 -0.049 -6.924 1.00 0.00 H new ATOM 352 N ARG A 152 -7.296 4.288 -7.942 1.00 0.00 N ATOM 353 CA ARG A 152 -7.356 5.772 -7.794 1.00 0.00 C ATOM 354 C ARG A 152 -5.965 6.377 -7.935 1.00 0.00 C ATOM 355 O ARG A 152 -5.772 7.392 -8.575 1.00 0.00 O ATOM 356 CB ARG A 152 -7.836 6.144 -6.394 1.00 0.00 C ATOM 357 CG ARG A 152 -9.135 5.432 -6.032 1.00 0.00 C ATOM 358 CD ARG A 152 -9.939 6.322 -5.078 1.00 0.00 C ATOM 359 NE ARG A 152 -11.347 6.429 -5.555 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.982 5.363 -5.958 1.00 0.00 C ATOM 361 NH1 ARG A 152 -11.890 4.981 -7.202 1.00 0.00 N ATOM 362 NH2 ARG A 152 -12.707 4.677 -5.117 1.00 0.00 N ATOM 0 H ARG A 152 -7.734 3.755 -7.191 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.032 6.146 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.066 5.888 -5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -7.984 7.222 -6.335 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.714 5.224 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.921 4.472 -5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -9.917 5.905 -4.071 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.488 7.313 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 152 -11.814 7.336 -5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -11.322 5.516 -7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -12.386 4.148 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -12.777 4.974 -4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.203 3.844 -5.433 1.00 0.00 H new ATOM 376 N CYS A 153 -5.010 5.790 -7.283 1.00 0.00 N ATOM 377 CA CYS A 153 -3.635 6.354 -7.301 1.00 0.00 C ATOM 378 C CYS A 153 -2.621 5.357 -7.866 1.00 0.00 C ATOM 379 O CYS A 153 -1.845 5.679 -8.744 1.00 0.00 O ATOM 380 CB CYS A 153 -3.248 6.698 -5.860 1.00 0.00 C ATOM 381 SG CYS A 153 -3.809 5.369 -4.754 1.00 0.00 S ATOM 0 H CYS A 153 -5.121 4.938 -6.734 1.00 0.00 H new ATOM 0 HA CYS A 153 -3.624 7.237 -7.940 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.168 6.821 -5.781 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -3.699 7.646 -5.566 1.00 0.00 H new ATOM 386 N GLY A 154 -2.594 4.161 -7.351 1.00 0.00 N ATOM 387 CA GLY A 154 -1.603 3.170 -7.839 1.00 0.00 C ATOM 388 C GLY A 154 -0.580 2.911 -6.729 1.00 0.00 C ATOM 389 O GLY A 154 0.349 2.146 -6.899 1.00 0.00 O ATOM 0 H GLY A 154 -3.216 3.829 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.102 2.242 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.104 3.544 -8.733 1.00 0.00 H new ATOM 393 N HIS A 155 -0.745 3.532 -5.584 1.00 0.00 N ATOM 394 CA HIS A 155 0.222 3.293 -4.476 1.00 0.00 C ATOM 395 C HIS A 155 0.281 1.784 -4.238 1.00 0.00 C ATOM 396 O HIS A 155 -0.717 1.161 -3.935 1.00 0.00 O ATOM 397 CB HIS A 155 -0.245 3.985 -3.188 1.00 0.00 C ATOM 398 CG HIS A 155 -0.039 5.478 -3.270 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.013 6.372 -2.835 1.00 0.00 N ATOM 400 CD2 HIS A 155 1.008 6.241 -3.720 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.525 7.613 -3.037 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.700 7.588 -3.572 1.00 0.00 N ATOM 0 H HIS A 155 -1.500 4.186 -5.375 1.00 0.00 H new ATOM 0 HA HIS A 155 1.199 3.694 -4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.300 3.769 -3.017 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.305 3.585 -2.336 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.931 5.854 -4.127 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.060 8.519 -2.795 1.00 0.00 H new ATOM 0 HE2 HIS A 155 1.284 8.387 -3.819 1.00 0.00 H new ATOM 409 N GLY A 156 1.424 1.185 -4.391 1.00 0.00 N ATOM 410 CA GLY A 156 1.508 -0.289 -4.194 1.00 0.00 C ATOM 411 C GLY A 156 1.953 -0.616 -2.768 1.00 0.00 C ATOM 412 O GLY A 156 2.995 -0.188 -2.309 1.00 0.00 O ATOM 0 H GLY A 156 2.299 1.645 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.537 -0.744 -4.391 1.00 0.00 H new ATOM 0 HA3 GLY A 156 2.212 -0.717 -4.908 1.00 0.00 H new ATOM 416 N PHE A 157 1.167 -1.390 -2.074 1.00 0.00 N ATOM 417 CA PHE A 157 1.512 -1.785 -0.679 1.00 0.00 C ATOM 418 C PHE A 157 1.642 -3.302 -0.642 1.00 0.00 C ATOM 419 O PHE A 157 1.650 -3.949 -1.664 1.00 0.00 O ATOM 420 CB PHE A 157 0.394 -1.317 0.263 1.00 0.00 C ATOM 421 CG PHE A 157 0.250 0.174 0.128 1.00 0.00 C ATOM 422 CD1 PHE A 157 0.995 1.029 0.950 1.00 0.00 C ATOM 423 CD2 PHE A 157 -0.619 0.702 -0.827 1.00 0.00 C ATOM 424 CE1 PHE A 157 0.868 2.416 0.813 1.00 0.00 C ATOM 425 CE2 PHE A 157 -0.748 2.085 -0.964 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.005 2.944 -0.145 1.00 0.00 C ATOM 0 H PHE A 157 0.286 -1.772 -2.419 1.00 0.00 H new ATOM 0 HA PHE A 157 2.449 -1.328 -0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.544 -1.812 0.013 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.630 -1.583 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 157 1.667 0.618 1.689 1.00 0.00 H new ATOM 0 HD2 PHE A 157 -1.192 0.041 -1.460 1.00 0.00 H new ATOM 0 HE1 PHE A 157 1.442 3.077 1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 157 -1.422 2.493 -1.703 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.106 4.014 -0.253 1.00 0.00 H new ATOM 436 N HIS A 158 1.757 -3.877 0.514 1.00 0.00 N ATOM 437 CA HIS A 158 1.899 -5.357 0.589 1.00 0.00 C ATOM 438 C HIS A 158 0.531 -6.001 0.746 1.00 0.00 C ATOM 439 O HIS A 158 -0.408 -5.376 1.179 1.00 0.00 O ATOM 440 CB HIS A 158 2.748 -5.707 1.803 1.00 0.00 C ATOM 441 CG HIS A 158 4.195 -5.759 1.393 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.137 -4.943 1.979 1.00 0.00 N ATOM 443 CD2 HIS A 158 4.863 -6.482 0.437 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.312 -5.175 1.374 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.204 -6.110 0.426 1.00 0.00 N ATOM 0 H HIS A 158 1.759 -3.392 1.411 1.00 0.00 H new ATOM 0 HA HIS A 158 2.369 -5.723 -0.324 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.606 -4.964 2.588 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.439 -6.668 2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.417 -7.225 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.232 -4.668 1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 158 6.944 -6.473 -0.175 1.00 0.00 H new ATOM 452 N ALA A 159 0.407 -7.255 0.429 1.00 0.00 N ATOM 453 CA ALA A 159 -0.910 -7.914 0.616 1.00 0.00 C ATOM 454 C ALA A 159 -1.080 -8.142 2.116 1.00 0.00 C ATOM 455 O ALA A 159 -2.177 -8.180 2.638 1.00 0.00 O ATOM 456 CB ALA A 159 -0.935 -9.258 -0.118 1.00 0.00 C ATOM 0 H ALA A 159 1.149 -7.846 0.054 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.714 -7.297 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.905 -9.733 0.026 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.765 -9.095 -1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.152 -9.904 0.279 1.00 0.00 H new ATOM 462 N GLU A 160 0.022 -8.284 2.808 1.00 0.00 N ATOM 463 CA GLU A 160 -0.025 -8.502 4.279 1.00 0.00 C ATOM 464 C GLU A 160 -0.140 -7.156 5.002 1.00 0.00 C ATOM 465 O GLU A 160 -1.009 -6.967 5.828 1.00 0.00 O ATOM 466 CB GLU A 160 1.251 -9.217 4.727 1.00 0.00 C ATOM 467 CG GLU A 160 1.036 -10.731 4.665 1.00 0.00 C ATOM 468 CD GLU A 160 1.066 -11.191 3.207 1.00 0.00 C ATOM 469 OE1 GLU A 160 1.917 -10.717 2.474 1.00 0.00 O ATOM 470 OE2 GLU A 160 0.237 -12.011 2.848 1.00 0.00 O ATOM 0 H GLU A 160 0.960 -8.257 2.409 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.893 -9.114 4.525 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.085 -8.931 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.511 -8.917 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.811 -11.243 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 160 0.081 -10.992 5.120 1.00 0.00 H new ATOM 477 N CYS A 161 0.727 -6.216 4.710 1.00 0.00 N ATOM 478 CA CYS A 161 0.637 -4.899 5.404 1.00 0.00 C ATOM 479 C CYS A 161 -0.661 -4.210 5.002 1.00 0.00 C ATOM 480 O CYS A 161 -1.336 -3.614 5.814 1.00 0.00 O ATOM 481 CB CYS A 161 1.814 -4.000 5.013 1.00 0.00 C ATOM 482 SG CYS A 161 3.351 -4.925 5.064 1.00 0.00 S ATOM 0 H CYS A 161 1.482 -6.304 4.030 1.00 0.00 H new ATOM 0 HA CYS A 161 0.662 -5.070 6.480 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.657 -3.599 4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.871 -3.149 5.692 1.00 0.00 H new ATOM 487 N VAL A 162 -1.011 -4.279 3.750 1.00 0.00 N ATOM 488 CA VAL A 162 -2.271 -3.621 3.295 1.00 0.00 C ATOM 489 C VAL A 162 -3.473 -4.252 4.011 1.00 0.00 C ATOM 490 O VAL A 162 -4.446 -3.591 4.309 1.00 0.00 O ATOM 491 CB VAL A 162 -2.428 -3.782 1.775 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.940 -5.189 1.449 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.432 -2.748 1.261 1.00 0.00 C ATOM 0 H VAL A 162 -0.483 -4.760 3.022 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.225 -2.559 3.537 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.461 -3.632 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -3.049 -5.296 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.229 -5.929 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.907 -5.345 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.547 -2.858 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.395 -2.904 1.747 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.069 -1.745 1.487 1.00 0.00 H new ATOM 503 N ASP A 163 -3.412 -5.529 4.285 1.00 0.00 N ATOM 504 CA ASP A 163 -4.552 -6.202 4.978 1.00 0.00 C ATOM 505 C ASP A 163 -4.610 -5.746 6.438 1.00 0.00 C ATOM 506 O ASP A 163 -5.641 -5.330 6.926 1.00 0.00 O ATOM 507 CB ASP A 163 -4.353 -7.719 4.925 1.00 0.00 C ATOM 508 CG ASP A 163 -4.958 -8.271 3.633 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.382 -7.473 2.813 1.00 0.00 O ATOM 510 OD2 ASP A 163 -4.985 -9.481 3.485 1.00 0.00 O ATOM 0 H ASP A 163 -2.623 -6.135 4.059 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.485 -5.937 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.291 -7.958 4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.824 -8.188 5.789 1.00 0.00 H new ATOM 515 N MET A 164 -3.510 -5.818 7.134 1.00 0.00 N ATOM 516 CA MET A 164 -3.501 -5.383 8.558 1.00 0.00 C ATOM 517 C MET A 164 -3.786 -3.883 8.621 1.00 0.00 C ATOM 518 O MET A 164 -4.247 -3.367 9.620 1.00 0.00 O ATOM 519 CB MET A 164 -2.129 -5.671 9.173 1.00 0.00 C ATOM 520 CG MET A 164 -2.097 -7.105 9.703 1.00 0.00 C ATOM 521 SD MET A 164 -0.860 -7.234 11.018 1.00 0.00 S ATOM 522 CE MET A 164 -1.956 -7.895 12.297 1.00 0.00 C ATOM 0 H MET A 164 -2.617 -6.159 6.778 1.00 0.00 H new ATOM 0 HA MET A 164 -4.264 -5.927 9.115 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.348 -5.531 8.426 1.00 0.00 H new ATOM 0 HB3 MET A 164 -1.927 -4.969 9.982 1.00 0.00 H new ATOM 0 HG2 MET A 164 -3.079 -7.385 10.084 1.00 0.00 H new ATOM 0 HG3 MET A 164 -1.859 -7.797 8.896 1.00 0.00 H new ATOM 0 HE1 MET A 164 -1.390 -8.054 13.215 1.00 0.00 H new ATOM 0 HE2 MET A 164 -2.763 -7.187 12.487 1.00 0.00 H new ATOM 0 HE3 MET A 164 -2.377 -8.843 11.961 1.00 0.00 H new ATOM 532 N TRP A 165 -3.518 -3.182 7.554 1.00 0.00 N ATOM 533 CA TRP A 165 -3.773 -1.716 7.539 1.00 0.00 C ATOM 534 C TRP A 165 -5.257 -1.468 7.314 1.00 0.00 C ATOM 535 O TRP A 165 -5.770 -0.408 7.614 1.00 0.00 O ATOM 536 CB TRP A 165 -2.993 -1.058 6.402 1.00 0.00 C ATOM 537 CG TRP A 165 -3.426 0.370 6.274 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.407 0.825 5.449 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.918 1.533 6.987 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.514 2.199 5.607 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.621 2.677 6.544 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.920 1.705 7.963 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.346 3.944 7.050 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.641 2.982 8.477 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.352 4.101 8.020 1.00 0.00 C ATOM 0 H TRP A 165 -3.132 -3.563 6.690 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.456 -1.293 8.492 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.923 -1.110 6.601 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.170 -1.590 5.467 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.003 0.218 4.783 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.172 2.785 5.093 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.365 0.850 8.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.898 4.802 6.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.875 3.103 9.228 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -2.132 5.081 8.416 1.00 0.00 H new ATOM 556 N LEU A 166 -5.956 -2.428 6.783 1.00 0.00 N ATOM 557 CA LEU A 166 -7.394 -2.220 6.545 1.00 0.00 C ATOM 558 C LEU A 166 -8.109 -2.297 7.883 1.00 0.00 C ATOM 559 O LEU A 166 -8.492 -1.294 8.436 1.00 0.00 O ATOM 560 CB LEU A 166 -7.915 -3.314 5.607 1.00 0.00 C ATOM 561 CG LEU A 166 -7.398 -3.062 4.190 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.493 -4.353 3.374 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.250 -1.979 3.527 1.00 0.00 C ATOM 0 H LEU A 166 -5.591 -3.340 6.507 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.572 -1.249 6.084 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.587 -4.293 5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.005 -3.323 5.611 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.359 -2.736 4.234 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.124 -4.173 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -6.890 -5.128 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.532 -4.679 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -7.885 -1.796 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.288 -2.309 3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.186 -1.059 4.108 1.00 0.00 H new ATOM 575 N GLY A 167 -8.235 -3.486 8.415 1.00 0.00 N ATOM 576 CA GLY A 167 -8.902 -3.684 9.747 1.00 0.00 C ATOM 577 C GLY A 167 -9.921 -2.569 10.025 1.00 0.00 C ATOM 578 O GLY A 167 -10.085 -2.152 11.153 1.00 0.00 O ATOM 0 H GLY A 167 -7.900 -4.345 7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.403 -4.652 9.766 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -8.150 -3.699 10.536 1.00 0.00 H new ATOM 582 N SER A 168 -10.586 -2.087 8.998 1.00 0.00 N ATOM 583 CA SER A 168 -11.590 -0.982 9.152 1.00 0.00 C ATOM 584 C SER A 168 -11.493 -0.063 7.930 1.00 0.00 C ATOM 585 O SER A 168 -12.443 0.105 7.190 1.00 0.00 O ATOM 586 CB SER A 168 -11.305 -0.155 10.408 1.00 0.00 C ATOM 587 OG SER A 168 -9.911 0.117 10.485 1.00 0.00 O ATOM 0 H SER A 168 -10.472 -2.420 8.041 1.00 0.00 H new ATOM 0 HA SER A 168 -12.585 -1.419 9.238 1.00 0.00 H new ATOM 0 HB2 SER A 168 -11.868 0.778 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.631 -0.697 11.296 1.00 0.00 H new ATOM 0 HG SER A 168 -9.505 -0.449 11.174 1.00 0.00 H new ATOM 593 N HIS A 169 -10.348 0.536 7.714 1.00 0.00 N ATOM 594 CA HIS A 169 -10.189 1.444 6.543 1.00 0.00 C ATOM 595 C HIS A 169 -10.142 0.614 5.259 1.00 0.00 C ATOM 596 O HIS A 169 -9.192 -0.098 5.001 1.00 0.00 O ATOM 597 CB HIS A 169 -8.877 2.236 6.675 1.00 0.00 C ATOM 598 CG HIS A 169 -8.999 3.218 7.808 1.00 0.00 C ATOM 599 ND1 HIS A 169 -10.204 3.817 8.140 1.00 0.00 N ATOM 600 CD2 HIS A 169 -8.075 3.716 8.694 1.00 0.00 C ATOM 601 CE1 HIS A 169 -9.975 4.635 9.184 1.00 0.00 C ATOM 602 NE2 HIS A 169 -8.694 4.610 9.562 1.00 0.00 N ATOM 0 H HIS A 169 -9.519 0.434 8.299 1.00 0.00 H new ATOM 0 HA HIS A 169 -11.031 2.135 6.508 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -8.045 1.556 6.857 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.661 2.762 5.745 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -7.028 3.454 8.714 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -10.735 5.238 9.659 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -8.262 5.134 10.323 1.00 0.00 H new ATOM 610 N SER A 170 -11.155 0.719 4.445 1.00 0.00 N ATOM 611 CA SER A 170 -11.169 -0.041 3.165 1.00 0.00 C ATOM 612 C SER A 170 -10.625 0.872 2.073 1.00 0.00 C ATOM 613 O SER A 170 -11.220 1.038 1.027 1.00 0.00 O ATOM 614 CB SER A 170 -12.604 -0.452 2.828 1.00 0.00 C ATOM 615 OG SER A 170 -13.400 -0.381 4.003 1.00 0.00 O ATOM 0 H SER A 170 -11.976 1.300 4.612 1.00 0.00 H new ATOM 0 HA SER A 170 -10.558 -0.940 3.247 1.00 0.00 H new ATOM 0 HB2 SER A 170 -13.011 0.204 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.620 -1.465 2.425 1.00 0.00 H new ATOM 0 HG SER A 170 -14.320 -0.642 3.791 1.00 0.00 H new ATOM 621 N THR A 171 -9.507 1.493 2.330 1.00 0.00 N ATOM 622 CA THR A 171 -8.930 2.428 1.332 1.00 0.00 C ATOM 623 C THR A 171 -7.402 2.339 1.329 1.00 0.00 C ATOM 624 O THR A 171 -6.799 1.551 2.028 1.00 0.00 O ATOM 625 CB THR A 171 -9.348 3.859 1.680 1.00 0.00 C ATOM 626 OG1 THR A 171 -9.001 4.136 3.029 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.859 4.008 1.500 1.00 0.00 C ATOM 0 H THR A 171 -8.969 1.391 3.191 1.00 0.00 H new ATOM 0 HA THR A 171 -9.301 2.156 0.344 1.00 0.00 H new ATOM 0 HB THR A 171 -8.835 4.559 1.021 1.00 0.00 H new ATOM 0 HG1 THR A 171 -9.266 5.052 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.156 5.027 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.125 3.794 0.465 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.375 3.309 2.159 1.00 0.00 H new ATOM 635 N CYS A 172 -6.790 3.163 0.530 1.00 0.00 N ATOM 636 CA CYS A 172 -5.305 3.198 0.416 1.00 0.00 C ATOM 637 C CYS A 172 -4.726 3.782 1.715 1.00 0.00 C ATOM 638 O CYS A 172 -5.235 4.761 2.221 1.00 0.00 O ATOM 639 CB CYS A 172 -5.006 4.130 -0.757 1.00 0.00 C ATOM 640 SG CYS A 172 -3.285 4.051 -1.281 1.00 0.00 S ATOM 0 H CYS A 172 -7.271 3.835 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 172 -4.871 2.210 0.259 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.650 3.870 -1.597 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.249 5.154 -0.474 1.00 0.00 H new ATOM 645 N PRO A 173 -3.697 3.154 2.237 1.00 0.00 N ATOM 646 CA PRO A 173 -3.065 3.592 3.500 1.00 0.00 C ATOM 647 C PRO A 173 -2.225 4.852 3.361 1.00 0.00 C ATOM 648 O PRO A 173 -2.032 5.567 4.325 1.00 0.00 O ATOM 649 CB PRO A 173 -2.158 2.428 3.882 1.00 0.00 C ATOM 650 CG PRO A 173 -1.901 1.629 2.589 1.00 0.00 C ATOM 651 CD PRO A 173 -3.060 1.959 1.631 1.00 0.00 C ATOM 0 HA PRO A 173 -3.829 3.837 4.238 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.222 2.789 4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.630 1.801 4.638 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -0.943 1.904 2.148 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.862 0.559 2.796 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.699 2.167 0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.762 1.129 1.553 1.00 0.00 H new ATOM 659 N LEU A 174 -1.674 5.129 2.223 1.00 0.00 N ATOM 660 CA LEU A 174 -0.815 6.330 2.163 1.00 0.00 C ATOM 661 C LEU A 174 -1.611 7.572 1.759 1.00 0.00 C ATOM 662 O LEU A 174 -1.401 8.641 2.296 1.00 0.00 O ATOM 663 CB LEU A 174 0.323 6.102 1.167 1.00 0.00 C ATOM 664 CG LEU A 174 1.182 7.364 1.074 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.197 7.377 2.218 1.00 0.00 C ATOM 666 CD2 LEU A 174 1.924 7.375 -0.265 1.00 0.00 C ATOM 0 H LEU A 174 -1.775 4.597 1.359 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.408 6.501 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.934 5.257 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.083 5.853 0.186 1.00 0.00 H new ATOM 0 HG LEU A 174 0.544 8.245 1.146 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.809 8.277 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.670 7.367 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.836 6.497 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.537 8.274 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.562 6.494 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.202 7.365 -1.081 1.00 0.00 H new ATOM 678 N CYS A 175 -2.519 7.461 0.835 1.00 0.00 N ATOM 679 CA CYS A 175 -3.296 8.667 0.447 1.00 0.00 C ATOM 680 C CYS A 175 -4.725 8.545 1.000 1.00 0.00 C ATOM 681 O CYS A 175 -5.244 9.482 1.567 1.00 0.00 O ATOM 682 CB CYS A 175 -3.275 8.825 -1.075 1.00 0.00 C ATOM 683 SG CYS A 175 -4.342 7.594 -1.841 1.00 0.00 S ATOM 0 H CYS A 175 -2.755 6.602 0.338 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.848 9.565 0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.607 9.826 -1.349 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.256 8.715 -1.446 1.00 0.00 H new ATOM 688 N ARG A 176 -5.338 7.386 0.847 1.00 0.00 N ATOM 689 CA ARG A 176 -6.722 7.123 1.364 1.00 0.00 C ATOM 690 C ARG A 176 -7.717 7.204 0.220 1.00 0.00 C ATOM 691 O ARG A 176 -8.845 7.629 0.375 1.00 0.00 O ATOM 692 CB ARG A 176 -7.113 8.091 2.486 1.00 0.00 C ATOM 693 CG ARG A 176 -6.111 7.949 3.638 1.00 0.00 C ATOM 694 CD ARG A 176 -6.647 8.676 4.873 1.00 0.00 C ATOM 695 NE ARG A 176 -5.653 8.578 5.979 1.00 0.00 N ATOM 696 CZ ARG A 176 -6.056 8.369 7.202 1.00 0.00 C ATOM 697 NH1 ARG A 176 -6.455 9.370 7.939 1.00 0.00 N ATOM 698 NH2 ARG A 176 -6.063 7.158 7.688 1.00 0.00 N ATOM 0 H ARG A 176 -4.918 6.589 0.369 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.736 6.120 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.117 9.116 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -8.122 7.874 2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.949 6.895 3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -5.146 8.365 3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -6.841 9.722 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -7.596 8.238 5.183 1.00 0.00 H new ATOM 0 HE ARG A 176 -4.657 8.674 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -6.452 10.316 7.559 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -6.770 9.206 8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -5.753 6.375 7.112 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -6.378 6.994 8.644 1.00 0.00 H new ATOM 712 N LEU A 177 -7.303 6.754 -0.926 1.00 0.00 N ATOM 713 CA LEU A 177 -8.195 6.741 -2.098 1.00 0.00 C ATOM 714 C LEU A 177 -8.895 5.379 -2.135 1.00 0.00 C ATOM 715 O LEU A 177 -8.364 4.416 -2.653 1.00 0.00 O ATOM 716 CB LEU A 177 -7.352 6.921 -3.359 1.00 0.00 C ATOM 717 CG LEU A 177 -6.815 8.352 -3.430 1.00 0.00 C ATOM 718 CD1 LEU A 177 -5.620 8.402 -4.383 1.00 0.00 C ATOM 719 CD2 LEU A 177 -7.912 9.279 -3.955 1.00 0.00 C ATOM 0 H LEU A 177 -6.366 6.389 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 177 -8.931 7.543 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -6.524 6.213 -3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -7.953 6.705 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.505 8.672 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.237 9.421 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -4.836 7.738 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -5.934 8.082 -5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.532 10.299 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.217 8.955 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.770 9.245 -3.283 1.00 0.00 H new ATOM 731 N THR A 178 -10.073 5.284 -1.578 1.00 0.00 N ATOM 732 CA THR A 178 -10.793 3.975 -1.571 1.00 0.00 C ATOM 733 C THR A 178 -10.647 3.286 -2.925 1.00 0.00 C ATOM 734 O THR A 178 -10.447 3.917 -3.942 1.00 0.00 O ATOM 735 CB THR A 178 -12.277 4.195 -1.276 1.00 0.00 C ATOM 736 OG1 THR A 178 -13.039 3.189 -1.930 1.00 0.00 O ATOM 737 CG2 THR A 178 -12.710 5.574 -1.774 1.00 0.00 C ATOM 0 H THR A 178 -10.568 6.054 -1.128 1.00 0.00 H new ATOM 0 HA THR A 178 -10.357 3.344 -0.796 1.00 0.00 H new ATOM 0 HB THR A 178 -12.443 4.140 -0.200 1.00 0.00 H new ATOM 0 HG1 THR A 178 -13.617 3.603 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 178 -13.768 5.722 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 178 -12.126 6.343 -1.269 1.00 0.00 H new ATOM 0 HG23 THR A 178 -12.545 5.641 -2.849 1.00 0.00 H new ATOM 745 N VAL A 179 -10.753 1.991 -2.946 1.00 0.00 N ATOM 746 CA VAL A 179 -10.627 1.256 -4.235 1.00 0.00 C ATOM 747 C VAL A 179 -12.023 0.941 -4.775 1.00 0.00 C ATOM 748 O VAL A 179 -12.222 0.800 -5.966 1.00 0.00 O ATOM 749 CB VAL A 179 -9.853 -0.044 -4.013 1.00 0.00 C ATOM 750 CG1 VAL A 179 -9.276 -0.530 -5.343 1.00 0.00 C ATOM 751 CG2 VAL A 179 -8.710 0.206 -3.025 1.00 0.00 C ATOM 0 H VAL A 179 -10.922 1.407 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 179 -10.089 1.872 -4.955 1.00 0.00 H new ATOM 0 HB VAL A 179 -10.526 -0.801 -3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -8.725 -1.457 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -10.088 -0.708 -6.049 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -8.604 0.227 -5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -8.158 -0.720 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -8.039 0.964 -3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -9.119 0.552 -2.076 1.00 0.00 H new ATOM 761 N VAL A 180 -12.993 0.833 -3.909 1.00 0.00 N ATOM 762 CA VAL A 180 -14.375 0.534 -4.368 1.00 0.00 C ATOM 763 C VAL A 180 -15.142 1.846 -4.553 1.00 0.00 C ATOM 764 O VAL A 180 -14.930 2.804 -3.836 1.00 0.00 O ATOM 765 CB VAL A 180 -15.083 -0.327 -3.321 1.00 0.00 C ATOM 766 CG1 VAL A 180 -14.630 -1.782 -3.459 1.00 0.00 C ATOM 767 CG2 VAL A 180 -14.742 0.182 -1.920 1.00 0.00 C ATOM 0 H VAL A 180 -12.886 0.940 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 180 -14.338 -0.004 -5.315 1.00 0.00 H new ATOM 0 HB VAL A 180 -16.160 -0.267 -3.476 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -15.136 -2.393 -2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -14.878 -2.147 -4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -13.552 -1.843 -3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -15.248 -0.433 -1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -13.665 0.126 -1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -15.070 1.217 -1.819 1.00 0.00 H new ATOM 777 N VAL A 181 -16.029 1.899 -5.508 1.00 0.00 N ATOM 778 CA VAL A 181 -16.804 3.151 -5.734 1.00 0.00 C ATOM 779 C VAL A 181 -18.048 3.151 -4.843 1.00 0.00 C ATOM 780 O VAL A 181 -19.134 3.003 -5.377 1.00 0.00 O ATOM 781 CB VAL A 181 -17.227 3.231 -7.201 1.00 0.00 C ATOM 782 CG1 VAL A 181 -17.976 4.543 -7.445 1.00 0.00 C ATOM 783 CG2 VAL A 181 -15.984 3.181 -8.092 1.00 0.00 C ATOM 784 OXT VAL A 181 -17.892 3.299 -3.642 1.00 0.00 O ATOM 0 H VAL A 181 -16.250 1.130 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 181 -16.182 4.012 -5.488 1.00 0.00 H new ATOM 0 HB VAL A 181 -17.879 2.391 -7.438 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -18.278 4.601 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -18.861 4.581 -6.809 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -17.324 5.384 -7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -16.284 3.238 -9.138 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -15.332 4.022 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -15.449 2.247 -7.918 1.00 0.00 H new TER 794 VAL A 181 HETATM 795 ZN ZN A 182 4.824 -3.809 3.696 1.00 0.00 ZN HETATM 796 ZN ZN A 183 -3.043 5.873 -2.667 1.00 0.00 ZN