USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 361 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 28 SER OG : rot 110:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0161 USER MOD Single : A 33 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.988 -1.568 -8.134 1.00 0.00 N ATOM 2 CA LYS A 1 -11.259 -1.230 -6.720 1.00 0.00 C ATOM 3 C LYS A 1 -12.410 -2.130 -6.202 1.00 0.00 C ATOM 4 O LYS A 1 -13.565 -1.973 -6.614 1.00 0.00 O ATOM 5 CB LYS A 1 -11.544 0.293 -6.595 1.00 0.00 C ATOM 6 CG LYS A 1 -11.820 0.848 -5.174 1.00 0.00 C ATOM 7 CD LYS A 1 -10.731 0.630 -4.097 1.00 0.00 C ATOM 8 CE LYS A 1 -9.324 1.189 -4.395 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.281 2.662 -4.466 1.00 0.00 N ATOM 0 H1 LYS A 1 -10.217 -0.970 -8.492 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.712 -2.568 -8.205 1.00 0.00 H new ATOM 0 H3 LYS A 1 -11.845 -1.404 -8.700 1.00 0.00 H new ATOM 0 HA LYS A 1 -10.393 -1.429 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -10.691 0.831 -7.008 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.404 0.528 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.997 1.920 -5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.745 0.400 -4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.082 1.076 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.639 -0.442 -3.922 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.635 0.850 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.970 0.777 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.309 2.972 -4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.914 2.992 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.589 3.063 -3.557 1.00 0.00 H new ATOM 24 N LYS A 2 -12.077 -3.047 -5.274 1.00 0.00 N ATOM 25 CA LYS A 2 -13.068 -3.929 -4.598 1.00 0.00 C ATOM 26 C LYS A 2 -13.411 -3.334 -3.199 1.00 0.00 C ATOM 27 O LYS A 2 -14.311 -2.491 -3.123 1.00 0.00 O ATOM 28 CB LYS A 2 -12.667 -5.435 -4.689 1.00 0.00 C ATOM 29 CG LYS A 2 -11.256 -5.866 -4.211 1.00 0.00 C ATOM 30 CD LYS A 2 -11.017 -7.382 -4.340 1.00 0.00 C ATOM 31 CE LYS A 2 -9.622 -7.798 -3.843 1.00 0.00 C ATOM 32 NZ LYS A 2 -9.403 -9.248 -3.984 1.00 0.00 N ATOM 0 H LYS A 2 -11.117 -3.203 -4.967 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.024 -3.942 -5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.398 -6.006 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.770 -5.741 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.503 -5.334 -4.792 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.124 -5.570 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.777 -7.917 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.132 -7.678 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -8.860 -7.259 -4.405 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -9.508 -7.513 -2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.452 -9.491 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.115 -9.762 -3.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -9.487 -9.516 -4.985 1.00 0.00 H new ATOM 45 N LYS A 3 -12.711 -3.735 -2.121 1.00 0.00 N ATOM 46 CA LYS A 3 -12.865 -3.138 -0.768 1.00 0.00 C ATOM 47 C LYS A 3 -11.435 -3.071 -0.163 1.00 0.00 C ATOM 48 O LYS A 3 -10.985 -4.007 0.503 1.00 0.00 O ATOM 49 CB LYS A 3 -13.847 -3.947 0.133 1.00 0.00 C ATOM 50 CG LYS A 3 -15.346 -3.932 -0.247 1.00 0.00 C ATOM 51 CD LYS A 3 -16.047 -2.565 -0.070 1.00 0.00 C ATOM 52 CE LYS A 3 -17.539 -2.546 -0.458 1.00 0.00 C ATOM 53 NZ LYS A 3 -18.398 -3.299 0.477 1.00 0.00 N ATOM 0 H LYS A 3 -12.019 -4.484 -2.157 1.00 0.00 H new ATOM 0 HA LYS A 3 -13.311 -2.145 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.514 -4.985 0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.755 -3.571 1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.446 -4.244 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -15.867 -4.673 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.953 -2.257 0.971 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.521 -1.823 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.882 -1.512 -0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -17.652 -2.963 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.387 -3.246 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.095 -4.294 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -18.318 -2.888 1.429 1.00 0.00 H new ATOM 66 N CYS A 4 -10.748 -1.945 -0.422 1.00 0.00 N ATOM 67 CA CYS A 4 -9.363 -1.639 -0.031 1.00 0.00 C ATOM 68 C CYS A 4 -8.823 -1.891 1.429 1.00 0.00 C ATOM 69 O CYS A 4 -9.457 -2.476 2.310 1.00 0.00 O ATOM 70 CB CYS A 4 -9.406 -0.131 -0.283 1.00 0.00 C ATOM 71 SG CYS A 4 -10.621 0.758 0.697 1.00 0.00 S ATOM 0 H CYS A 4 -11.172 -1.177 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 4 -8.686 -2.306 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.420 0.286 -0.080 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -9.614 0.042 -1.339 1.00 0.00 H new ATOM 76 N ILE A 5 -7.569 -1.430 1.596 1.00 0.00 N ATOM 77 CA ILE A 5 -6.787 -1.373 2.856 1.00 0.00 C ATOM 78 C ILE A 5 -7.355 -0.280 3.833 1.00 0.00 C ATOM 79 O ILE A 5 -7.543 -0.559 5.019 1.00 0.00 O ATOM 80 CB ILE A 5 -5.297 -1.107 2.399 1.00 0.00 C ATOM 81 CG1 ILE A 5 -4.685 -2.220 1.490 1.00 0.00 C ATOM 82 CG2 ILE A 5 -4.302 -0.720 3.516 1.00 0.00 C ATOM 83 CD1 ILE A 5 -4.341 -3.573 2.115 1.00 0.00 C ATOM 0 H ILE A 5 -7.037 -1.063 0.807 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.848 -2.295 3.434 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.429 -0.213 1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.384 -2.401 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.773 -1.820 1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.314 -0.563 3.084 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.637 0.197 4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.252 -1.522 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.927 -4.232 1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.608 -3.431 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.243 -4.022 2.531 1.00 0.00 H new ATOM 95 N ALA A 6 -7.568 0.957 3.325 1.00 0.00 N ATOM 96 CA ALA A 6 -7.928 2.176 4.103 1.00 0.00 C ATOM 97 C ALA A 6 -6.789 2.706 5.023 1.00 0.00 C ATOM 98 O ALA A 6 -6.989 2.927 6.222 1.00 0.00 O ATOM 99 CB ALA A 6 -9.317 2.061 4.765 1.00 0.00 C ATOM 0 H ALA A 6 -7.492 1.145 2.325 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.034 2.982 3.377 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.532 2.974 5.320 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.076 1.916 3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.325 1.211 5.448 1.00 0.00 H new ATOM 105 N LYS A 7 -5.596 2.915 4.427 1.00 0.00 N ATOM 106 CA LYS A 7 -4.364 3.335 5.138 1.00 0.00 C ATOM 107 C LYS A 7 -3.251 3.487 4.067 1.00 0.00 C ATOM 108 O LYS A 7 -2.933 2.530 3.348 1.00 0.00 O ATOM 109 CB LYS A 7 -3.910 2.320 6.239 1.00 0.00 C ATOM 110 CG LYS A 7 -2.659 2.717 7.059 1.00 0.00 C ATOM 111 CD LYS A 7 -2.481 1.936 8.376 1.00 0.00 C ATOM 112 CE LYS A 7 -2.116 0.448 8.247 1.00 0.00 C ATOM 113 NZ LYS A 7 -2.131 -0.229 9.556 1.00 0.00 N ATOM 0 H LYS A 7 -5.457 2.796 3.424 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.562 4.271 5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.739 2.170 6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.716 1.360 5.761 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.773 2.568 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.713 3.781 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.705 2.428 8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.407 2.012 8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.820 -0.043 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.127 0.353 7.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.880 -1.231 9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.442 0.224 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.082 -0.159 9.972 1.00 0.00 H new ATOM 126 N ASP A 8 -2.606 4.672 4.022 1.00 0.00 N ATOM 127 CA ASP A 8 -1.340 4.859 3.263 1.00 0.00 C ATOM 128 C ASP A 8 -0.210 4.161 4.045 1.00 0.00 C ATOM 129 O ASP A 8 0.119 4.583 5.161 1.00 0.00 O ATOM 130 CB ASP A 8 -0.922 6.338 3.017 1.00 0.00 C ATOM 131 CG ASP A 8 -0.971 7.341 4.186 1.00 0.00 C ATOM 132 OD1 ASP A 8 -2.003 7.902 4.552 1.00 0.00 O ATOM 133 OD2 ASP A 8 0.259 7.531 4.762 1.00 0.00 O ATOM 0 H ASP A 8 -2.935 5.512 4.498 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.513 4.432 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.099 6.330 2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.557 6.730 2.223 1.00 0.00 H new ATOM 139 N TYR A 9 0.438 3.144 3.439 1.00 0.00 N ATOM 140 CA TYR A 9 1.585 2.439 4.046 1.00 0.00 C ATOM 141 C TYR A 9 0.968 1.513 5.125 1.00 0.00 C ATOM 142 O TYR A 9 0.852 1.814 6.317 1.00 0.00 O ATOM 143 CB TYR A 9 2.843 3.237 4.450 1.00 0.00 C ATOM 144 CG TYR A 9 3.000 4.761 4.186 1.00 0.00 C ATOM 145 CD1 TYR A 9 2.714 5.336 2.938 1.00 0.00 C ATOM 146 CD2 TYR A 9 3.563 5.564 5.178 1.00 0.00 C ATOM 147 CE1 TYR A 9 3.074 6.647 2.658 1.00 0.00 C ATOM 148 CE2 TYR A 9 3.925 6.879 4.902 1.00 0.00 C ATOM 149 CZ TYR A 9 3.685 7.420 3.640 1.00 0.00 C ATOM 150 OH TYR A 9 4.057 8.710 3.364 1.00 0.00 O ATOM 0 H TYR A 9 0.181 2.790 2.518 1.00 0.00 H new ATOM 0 HA TYR A 9 2.097 1.874 3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.968 3.094 5.523 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.688 2.750 3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.207 4.750 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.719 5.162 6.168 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.880 7.065 1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.393 7.481 5.667 1.00 0.00 H new ATOM 0 HH TYR A 9 4.469 9.109 4.159 1.00 0.00 H new ATOM 160 N GLY A 10 0.496 0.427 4.549 1.00 0.00 N ATOM 161 CA GLY A 10 -0.420 -0.504 5.226 1.00 0.00 C ATOM 162 C GLY A 10 -0.722 -1.795 4.465 1.00 0.00 C ATOM 163 O GLY A 10 -1.388 -1.795 3.432 1.00 0.00 O ATOM 0 H GLY A 10 0.730 0.153 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.005 -0.764 6.196 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.360 0.013 5.418 1.00 0.00 H new ATOM 167 N ARG A 11 -0.347 -2.855 5.187 1.00 0.00 N ATOM 168 CA ARG A 11 -0.441 -4.295 4.910 1.00 0.00 C ATOM 169 C ARG A 11 -1.037 -4.763 3.583 1.00 0.00 C ATOM 170 O ARG A 11 -2.116 -5.357 3.485 1.00 0.00 O ATOM 171 CB ARG A 11 -0.936 -5.070 6.167 1.00 0.00 C ATOM 172 CG ARG A 11 -0.849 -6.620 6.133 1.00 0.00 C ATOM 173 CD ARG A 11 0.484 -7.185 5.595 1.00 0.00 C ATOM 174 NE ARG A 11 0.595 -8.664 5.802 1.00 0.00 N ATOM 175 CZ ARG A 11 0.400 -9.645 5.011 1.00 0.00 C ATOM 176 NH1 ARG A 11 0.009 -9.496 3.748 1.00 0.00 N ATOM 177 NH2 ARG A 11 0.594 -10.869 5.467 1.00 0.00 N ATOM 0 H ARG A 11 0.086 -2.705 6.098 1.00 0.00 H new ATOM 0 HA ARG A 11 0.592 -4.578 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.363 -4.720 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.976 -4.795 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.007 -7.000 7.142 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.663 -7.002 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.569 -6.961 4.532 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.316 -6.687 6.093 1.00 0.00 H new ATOM 0 HE ARG A 11 0.877 -8.935 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.149 -8.562 3.370 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.132 -10.316 3.158 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.893 -11.012 6.432 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.445 -11.671 4.855 1.00 0.00 H new ATOM 190 N CYS A 12 -0.209 -4.479 2.588 1.00 0.00 N ATOM 191 CA CYS A 12 -0.573 -4.792 1.178 1.00 0.00 C ATOM 192 C CYS A 12 -0.140 -6.220 0.752 1.00 0.00 C ATOM 193 O CYS A 12 0.573 -6.941 1.459 1.00 0.00 O ATOM 194 CB CYS A 12 -0.155 -3.697 0.187 1.00 0.00 C ATOM 195 SG CYS A 12 1.572 -3.828 -0.295 1.00 0.00 S ATOM 0 H CYS A 12 0.705 -4.042 2.707 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.662 -4.797 1.142 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.783 -3.757 -0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.331 -2.719 0.635 1.00 0.00 H new ATOM 200 N LYS A 13 -0.626 -6.611 -0.432 1.00 0.00 N ATOM 201 CA LYS A 13 -0.202 -7.856 -1.114 1.00 0.00 C ATOM 202 C LYS A 13 -0.088 -7.571 -2.640 1.00 0.00 C ATOM 203 O LYS A 13 -0.737 -6.681 -3.207 1.00 0.00 O ATOM 204 CB LYS A 13 -1.201 -8.998 -0.775 1.00 0.00 C ATOM 205 CG LYS A 13 -0.752 -10.411 -1.213 1.00 0.00 C ATOM 206 CD LYS A 13 -1.795 -11.488 -0.892 1.00 0.00 C ATOM 207 CE LYS A 13 -1.374 -12.890 -1.365 1.00 0.00 C ATOM 208 NZ LYS A 13 -2.419 -13.887 -1.078 1.00 0.00 N ATOM 0 H LYS A 13 -1.325 -6.079 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 13 0.777 -8.187 -0.768 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.370 -9.005 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.158 -8.775 -1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.555 -10.409 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.186 -10.660 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.968 -11.510 0.184 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.742 -11.221 -1.361 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.172 -12.870 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.446 -13.180 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.106 -14.822 -1.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.593 -13.922 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.296 -13.622 -1.570 1.00 0.00 H new ATOM 221 N TRP A 14 0.756 -8.382 -3.294 1.00 0.00 N ATOM 222 CA TRP A 14 0.850 -8.421 -4.778 1.00 0.00 C ATOM 223 C TRP A 14 -0.029 -9.625 -5.218 1.00 0.00 C ATOM 224 O TRP A 14 0.395 -10.785 -5.182 1.00 0.00 O ATOM 225 CB TRP A 14 2.327 -8.517 -5.244 1.00 0.00 C ATOM 226 CG TRP A 14 3.285 -7.368 -4.856 1.00 0.00 C ATOM 227 CD1 TRP A 14 2.980 -6.009 -4.559 1.00 0.00 C ATOM 228 CD2 TRP A 14 4.662 -7.473 -4.707 1.00 0.00 C ATOM 229 NE1 TRP A 14 4.138 -5.288 -4.225 1.00 0.00 N ATOM 230 CE2 TRP A 14 5.165 -6.204 -4.325 1.00 0.00 C ATOM 231 CE3 TRP A 14 5.547 -8.574 -4.862 1.00 0.00 C ATOM 232 CZ2 TRP A 14 6.552 -6.023 -4.103 1.00 0.00 C ATOM 233 CZ3 TRP A 14 6.909 -8.373 -4.635 1.00 0.00 C ATOM 234 CH2 TRP A 14 7.404 -7.117 -4.261 1.00 0.00 C ATOM 0 H TRP A 14 1.391 -9.027 -2.824 1.00 0.00 H new ATOM 0 HA TRP A 14 0.485 -7.506 -5.246 1.00 0.00 H new ATOM 0 HB2 TRP A 14 2.742 -9.445 -4.851 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.330 -8.602 -6.331 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.986 -5.587 -4.587 1.00 0.00 H new ATOM 0 HE1 TRP A 14 4.205 -4.304 -3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.173 -9.546 -5.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.943 -5.058 -3.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.594 -9.200 -4.750 1.00 0.00 H new ATOM 0 HH2 TRP A 14 8.463 -6.993 -4.092 1.00 0.00 H new ATOM 245 N GLY A 15 -1.287 -9.309 -5.562 1.00 0.00 N ATOM 246 CA GLY A 15 -2.361 -10.313 -5.754 1.00 0.00 C ATOM 247 C GLY A 15 -3.331 -10.401 -4.546 1.00 0.00 C ATOM 248 O GLY A 15 -3.554 -11.490 -4.013 1.00 0.00 O ATOM 0 H GLY A 15 -1.595 -8.349 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.928 -10.064 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.911 -11.291 -5.923 1.00 0.00 H new ATOM 252 N GLY A 16 -3.917 -9.256 -4.156 1.00 0.00 N ATOM 253 CA GLY A 16 -4.849 -9.154 -3.015 1.00 0.00 C ATOM 254 C GLY A 16 -5.747 -7.924 -3.175 1.00 0.00 C ATOM 255 O GLY A 16 -6.162 -7.526 -4.270 1.00 0.00 O ATOM 0 H GLY A 16 -3.757 -8.366 -4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.460 -10.054 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.288 -9.085 -2.083 1.00 0.00 H new ATOM 259 N THR A 17 -6.000 -7.316 -2.017 1.00 0.00 N ATOM 260 CA THR A 17 -6.645 -5.968 -1.912 1.00 0.00 C ATOM 261 C THR A 17 -5.809 -4.878 -2.675 1.00 0.00 C ATOM 262 O THR A 17 -4.575 -4.944 -2.605 1.00 0.00 O ATOM 263 CB THR A 17 -6.860 -5.462 -0.436 1.00 0.00 C ATOM 264 OG1 THR A 17 -6.668 -6.471 0.553 1.00 0.00 O ATOM 265 CG2 THR A 17 -8.232 -4.842 -0.207 1.00 0.00 C ATOM 0 H THR A 17 -5.771 -7.728 -1.113 1.00 0.00 H new ATOM 0 HA THR A 17 -7.627 -6.105 -2.365 1.00 0.00 H new ATOM 0 HB THR A 17 -6.089 -4.700 -0.322 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.815 -6.089 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.315 -4.514 0.829 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.360 -3.986 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 17 -9.005 -5.581 -0.417 1.00 0.00 H new ATOM 273 N PRO A 18 -6.398 -3.849 -3.350 1.00 0.00 N ATOM 274 CA PRO A 18 -5.638 -2.664 -3.852 1.00 0.00 C ATOM 275 C PRO A 18 -5.051 -1.829 -2.656 1.00 0.00 C ATOM 276 O PRO A 18 -4.428 -2.349 -1.726 1.00 0.00 O ATOM 277 CB PRO A 18 -6.746 -2.000 -4.726 1.00 0.00 C ATOM 278 CG PRO A 18 -8.005 -2.273 -3.907 1.00 0.00 C ATOM 279 CD PRO A 18 -7.846 -3.764 -3.656 1.00 0.00 C ATOM 0 HA PRO A 18 -4.730 -2.840 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.572 -0.933 -4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.802 -2.444 -5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.033 -1.696 -2.982 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.917 -2.039 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.463 -4.110 -2.827 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.119 -4.360 -4.527 1.00 0.00 H new ATOM 287 N CYS A 19 -5.258 -0.526 -2.735 1.00 0.00 N ATOM 288 CA CYS A 19 -5.062 0.421 -1.618 1.00 0.00 C ATOM 289 C CYS A 19 -6.032 1.592 -1.910 1.00 0.00 C ATOM 290 O CYS A 19 -6.252 2.037 -3.046 1.00 0.00 O ATOM 291 CB CYS A 19 -3.644 0.964 -1.452 1.00 0.00 C ATOM 292 SG CYS A 19 -2.396 -0.315 -1.288 1.00 0.00 S ATOM 0 H CYS A 19 -5.575 -0.073 -3.592 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.251 -0.106 -0.683 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.401 1.588 -2.312 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.611 1.606 -0.572 1.00 0.00 H new ATOM 297 N CYS A 20 -6.600 2.087 -0.821 1.00 0.00 N ATOM 298 CA CYS A 20 -7.741 3.033 -0.858 1.00 0.00 C ATOM 299 C CYS A 20 -7.308 4.528 -0.987 1.00 0.00 C ATOM 300 O CYS A 20 -7.766 5.227 -1.894 1.00 0.00 O ATOM 301 CB CYS A 20 -8.597 2.785 0.397 1.00 0.00 C ATOM 302 SG CYS A 20 -10.331 2.578 0.021 1.00 0.00 S ATOM 0 H CYS A 20 -6.293 1.853 0.123 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.325 2.845 -1.759 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.232 1.895 0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.476 3.622 1.085 1.00 0.00 H new ATOM 307 N ARG A 21 -6.458 4.993 -0.045 1.00 0.00 N ATOM 308 CA ARG A 21 -6.098 6.422 0.142 1.00 0.00 C ATOM 309 C ARG A 21 -4.550 6.543 0.272 1.00 0.00 C ATOM 310 O ARG A 21 -3.996 6.612 1.374 1.00 0.00 O ATOM 311 CB ARG A 21 -6.896 7.031 1.340 1.00 0.00 C ATOM 312 CG ARG A 21 -6.862 6.282 2.701 1.00 0.00 C ATOM 313 CD ARG A 21 -7.626 7.017 3.815 1.00 0.00 C ATOM 314 NE ARG A 21 -7.549 6.264 5.091 1.00 0.00 N ATOM 315 CZ ARG A 21 -8.201 6.601 6.220 1.00 0.00 C ATOM 316 NH1 ARG A 21 -9.004 7.659 6.327 1.00 0.00 N ATOM 317 NH2 ARG A 21 -8.035 5.840 7.285 1.00 0.00 N ATOM 0 H ARG A 21 -5.992 4.376 0.621 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.386 7.015 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.525 8.042 1.507 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.939 7.120 1.035 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.288 5.287 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.825 6.147 3.008 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.209 8.015 3.951 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.669 7.144 3.525 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.960 5.432 5.115 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.154 8.269 5.523 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.469 7.859 7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.426 5.023 7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.515 6.069 8.155 1.00 0.00 H new ATOM 330 N GLY A 22 -3.864 6.557 -0.885 1.00 0.00 N ATOM 331 CA GLY A 22 -2.381 6.572 -0.954 1.00 0.00 C ATOM 332 C GLY A 22 -1.862 5.163 -1.283 1.00 0.00 C ATOM 333 O GLY A 22 -1.978 4.262 -0.445 1.00 0.00 O ATOM 0 H GLY A 22 -4.315 6.558 -1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.050 7.279 -1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.967 6.910 -0.004 1.00 0.00 H new ATOM 337 N ARG A 23 -1.314 4.983 -2.502 1.00 0.00 N ATOM 338 CA ARG A 23 -1.021 3.634 -3.054 1.00 0.00 C ATOM 339 C ARG A 23 0.387 3.453 -3.688 1.00 0.00 C ATOM 340 O ARG A 23 1.220 4.362 -3.774 1.00 0.00 O ATOM 341 CB ARG A 23 -2.218 3.202 -3.948 1.00 0.00 C ATOM 342 CG ARG A 23 -2.405 3.871 -5.329 1.00 0.00 C ATOM 343 CD ARG A 23 -3.734 3.482 -6.010 1.00 0.00 C ATOM 344 NE ARG A 23 -3.756 2.064 -6.457 1.00 0.00 N ATOM 345 CZ ARG A 23 -4.871 1.332 -6.649 1.00 0.00 C ATOM 346 NH1 ARG A 23 -6.106 1.791 -6.461 1.00 0.00 N ATOM 347 NH2 ARG A 23 -4.728 0.082 -7.048 1.00 0.00 N ATOM 0 H ARG A 23 -1.064 5.750 -3.126 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.938 2.935 -2.222 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.135 2.128 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.131 3.367 -3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.367 4.954 -5.211 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.575 3.592 -5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.557 3.653 -5.316 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.901 4.132 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.859 1.611 -6.632 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.251 2.752 -6.153 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -6.907 1.181 -6.625 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.795 -0.301 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.550 -0.501 -7.203 1.00 0.00 H new ATOM 360 N GLY A 24 0.609 2.194 -4.082 1.00 0.00 N ATOM 361 CA GLY A 24 1.924 1.669 -4.491 1.00 0.00 C ATOM 362 C GLY A 24 1.903 0.139 -4.441 1.00 0.00 C ATOM 363 O GLY A 24 1.742 -0.578 -5.431 1.00 0.00 O ATOM 0 H GLY A 24 -0.132 1.495 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.164 2.007 -5.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.702 2.054 -3.832 1.00 0.00 H new ATOM 367 N CYS A 25 2.100 -0.270 -3.199 1.00 0.00 N ATOM 368 CA CYS A 25 2.339 -1.661 -2.754 1.00 0.00 C ATOM 369 C CYS A 25 3.814 -2.031 -3.005 1.00 0.00 C ATOM 370 O CYS A 25 4.214 -2.311 -4.138 1.00 0.00 O ATOM 371 CB CYS A 25 1.363 -2.775 -3.197 1.00 0.00 C ATOM 372 SG CYS A 25 1.654 -4.272 -2.236 1.00 0.00 S ATOM 0 H CYS A 25 2.100 0.386 -2.418 1.00 0.00 H new ATOM 0 HA CYS A 25 2.106 -1.632 -1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.334 -2.442 -3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.495 -2.984 -4.259 1.00 0.00 H new ATOM 377 N ILE A 26 4.594 -2.004 -1.920 1.00 0.00 N ATOM 378 CA ILE A 26 5.977 -2.538 -1.881 1.00 0.00 C ATOM 379 C ILE A 26 6.054 -3.426 -0.610 1.00 0.00 C ATOM 380 O ILE A 26 5.401 -3.185 0.413 1.00 0.00 O ATOM 381 CB ILE A 26 7.075 -1.426 -1.843 1.00 0.00 C ATOM 382 CG1 ILE A 26 7.040 -0.412 -3.016 1.00 0.00 C ATOM 383 CG2 ILE A 26 8.491 -2.007 -1.658 1.00 0.00 C ATOM 384 CD1 ILE A 26 7.304 -0.943 -4.435 1.00 0.00 C ATOM 0 H ILE A 26 4.289 -1.609 -1.031 1.00 0.00 H new ATOM 0 HA ILE A 26 6.179 -3.097 -2.795 1.00 0.00 H new ATOM 0 HB ILE A 26 6.816 -0.844 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.061 0.067 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.775 0.365 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.218 -1.195 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.538 -2.559 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.720 -2.678 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE A 26 7.247 -0.120 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.297 -1.391 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.556 -1.694 -4.687 1.00 0.00 H new ATOM 396 N CYS A 27 6.951 -4.425 -0.683 1.00 0.00 N ATOM 397 CA CYS A 27 7.224 -5.320 0.455 1.00 0.00 C ATOM 398 C CYS A 27 8.134 -4.728 1.585 1.00 0.00 C ATOM 399 O CYS A 27 8.964 -3.850 1.338 1.00 0.00 O ATOM 400 CB CYS A 27 7.539 -6.738 0.004 1.00 0.00 C ATOM 401 SG CYS A 27 6.071 -7.398 -0.780 1.00 0.00 S ATOM 0 H CYS A 27 7.499 -4.633 -1.518 1.00 0.00 H new ATOM 0 HA CYS A 27 6.283 -5.403 0.998 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.378 -6.741 -0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.828 -7.355 0.855 1.00 0.00 H new ATOM 406 N SER A 28 7.949 -5.185 2.845 1.00 0.00 N ATOM 407 CA SER A 28 8.455 -4.576 4.058 1.00 0.00 C ATOM 408 C SER A 28 8.638 -5.677 5.148 1.00 0.00 C ATOM 409 O SER A 28 8.298 -6.854 4.994 1.00 0.00 O ATOM 410 CB SER A 28 7.290 -3.705 4.546 1.00 0.00 C ATOM 411 OG SER A 28 6.804 -2.723 3.633 1.00 0.00 O ATOM 0 H SER A 28 7.413 -6.032 3.033 1.00 0.00 H new ATOM 0 HA SER A 28 9.393 -4.048 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.462 -4.361 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.602 -3.197 5.459 1.00 0.00 H new ATOM 0 HG SER A 28 5.914 -2.983 3.316 1.00 0.00 H new ATOM 417 N ILE A 29 9.183 -5.226 6.285 1.00 0.00 N ATOM 418 CA ILE A 29 9.614 -6.056 7.458 1.00 0.00 C ATOM 419 C ILE A 29 10.266 -7.417 7.017 1.00 0.00 C ATOM 420 O ILE A 29 9.728 -8.497 7.269 1.00 0.00 O ATOM 421 CB ILE A 29 8.535 -6.129 8.609 1.00 0.00 C ATOM 422 CG1 ILE A 29 7.980 -4.736 9.067 1.00 0.00 C ATOM 423 CG2 ILE A 29 9.084 -6.845 9.873 1.00 0.00 C ATOM 424 CD1 ILE A 29 6.659 -4.313 8.409 1.00 0.00 C ATOM 0 H ILE A 29 9.350 -4.231 6.437 1.00 0.00 H new ATOM 0 HA ILE A 29 10.432 -5.528 7.949 1.00 0.00 H new ATOM 0 HB ILE A 29 7.720 -6.695 8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 29 7.840 -4.756 10.148 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.732 -3.976 8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.310 -6.873 10.640 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.378 -7.863 9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.950 -6.302 10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.358 -3.337 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.793 -4.254 7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.886 -5.047 8.640 1.00 0.00 H new ATOM 436 N MET A 30 11.409 -7.286 6.316 1.00 0.00 N ATOM 437 CA MET A 30 12.127 -8.377 5.588 1.00 0.00 C ATOM 438 C MET A 30 11.713 -8.557 4.085 1.00 0.00 C ATOM 439 O MET A 30 12.376 -9.351 3.406 1.00 0.00 O ATOM 440 CB MET A 30 12.185 -9.791 6.264 1.00 0.00 C ATOM 441 CG MET A 30 12.587 -9.886 7.744 1.00 0.00 C ATOM 442 SD MET A 30 14.167 -9.057 8.026 1.00 0.00 S ATOM 443 CE MET A 30 14.317 -9.220 9.816 1.00 0.00 C ATOM 0 H MET A 30 11.884 -6.387 6.231 1.00 0.00 H new ATOM 0 HA MET A 30 13.136 -7.968 5.645 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.201 -10.248 6.159 1.00 0.00 H new ATOM 0 HB3 MET A 30 12.883 -10.402 5.692 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.816 -9.432 8.366 1.00 0.00 H new ATOM 0 HG3 MET A 30 12.661 -10.932 8.040 1.00 0.00 H new ATOM 0 HE1 MET A 30 15.246 -8.755 10.147 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.473 -8.727 10.298 1.00 0.00 H new ATOM 0 HE3 MET A 30 14.323 -10.276 10.086 1.00 0.00 H new ATOM 453 N GLY A 31 10.680 -7.876 3.519 1.00 0.00 N ATOM 454 CA GLY A 31 10.101 -8.287 2.215 1.00 0.00 C ATOM 455 C GLY A 31 9.178 -9.521 2.435 1.00 0.00 C ATOM 456 O GLY A 31 9.433 -10.597 1.891 1.00 0.00 O ATOM 0 H GLY A 31 10.240 -7.056 3.937 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.533 -7.465 1.780 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.896 -8.533 1.511 1.00 0.00 H new ATOM 460 N THR A 32 8.151 -9.345 3.291 1.00 0.00 N ATOM 461 CA THR A 32 7.360 -10.455 3.912 1.00 0.00 C ATOM 462 C THR A 32 5.899 -10.036 4.247 1.00 0.00 C ATOM 463 O THR A 32 4.922 -10.702 3.894 1.00 0.00 O ATOM 464 CB THR A 32 8.171 -10.991 5.148 1.00 0.00 C ATOM 465 OG1 THR A 32 9.415 -11.543 4.724 1.00 0.00 O ATOM 466 CG2 THR A 32 7.515 -12.064 6.028 1.00 0.00 C ATOM 0 H THR A 32 7.834 -8.420 3.582 1.00 0.00 H new ATOM 0 HA THR A 32 7.232 -11.269 3.199 1.00 0.00 H new ATOM 0 HB THR A 32 8.256 -10.094 5.762 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.910 -11.871 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.192 -12.334 6.838 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.587 -11.674 6.446 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.300 -12.947 5.426 1.00 0.00 H new ATOM 474 N ASN A 33 5.824 -8.922 4.966 1.00 0.00 N ATOM 475 CA ASN A 33 4.592 -8.145 5.257 1.00 0.00 C ATOM 476 C ASN A 33 3.921 -7.607 3.955 1.00 0.00 C ATOM 477 O ASN A 33 3.024 -8.183 3.336 1.00 0.00 O ATOM 478 CB ASN A 33 4.985 -7.115 6.387 1.00 0.00 C ATOM 479 CG ASN A 33 3.829 -6.510 7.196 1.00 0.00 C ATOM 480 OD1 ASN A 33 3.411 -5.376 6.968 1.00 0.00 O ATOM 481 ND2 ASN A 33 3.313 -7.237 8.176 1.00 0.00 N ATOM 0 H ASN A 33 6.652 -8.503 5.389 1.00 0.00 H new ATOM 0 HA ASN A 33 3.773 -8.744 5.654 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.663 -7.612 7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.542 -6.299 5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.561 -6.857 8.751 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.668 -8.176 8.356 1.00 0.00 H new ATOM 488 N CYS A 34 4.618 -6.569 3.556 1.00 0.00 N ATOM 489 CA CYS A 34 4.318 -5.559 2.555 1.00 0.00 C ATOM 490 C CYS A 34 3.347 -4.494 3.144 1.00 0.00 C ATOM 491 O CYS A 34 2.804 -4.636 4.240 1.00 0.00 O ATOM 492 CB CYS A 34 3.961 -6.165 1.195 1.00 0.00 C ATOM 493 SG CYS A 34 4.808 -7.700 0.733 1.00 0.00 S ATOM 0 H CYS A 34 5.528 -6.386 3.979 1.00 0.00 H new ATOM 0 HA CYS A 34 5.218 -4.996 2.308 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.887 -6.352 1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.167 -5.420 0.427 1.00 0.00 H new ATOM 498 N GLU A 35 3.209 -3.387 2.421 1.00 0.00 N ATOM 499 CA GLU A 35 2.497 -2.157 2.869 1.00 0.00 C ATOM 500 C GLU A 35 2.147 -1.321 1.593 1.00 0.00 C ATOM 501 O GLU A 35 2.876 -1.398 0.600 1.00 0.00 O ATOM 502 CB GLU A 35 3.400 -1.314 3.827 1.00 0.00 C ATOM 503 CG GLU A 35 3.442 -1.748 5.307 1.00 0.00 C ATOM 504 CD GLU A 35 4.245 -0.779 6.180 1.00 0.00 C ATOM 505 OE1 GLU A 35 3.793 0.286 6.600 1.00 0.00 O ATOM 506 OE2 GLU A 35 5.515 -1.234 6.432 1.00 0.00 O ATOM 0 H GLU A 35 3.593 -3.301 1.480 1.00 0.00 H new ATOM 0 HA GLU A 35 1.593 -2.426 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.418 -1.334 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.063 -0.278 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.424 -1.819 5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.880 -2.744 5.378 1.00 0.00 H new ATOM 514 N CYS A 36 1.078 -0.486 1.623 1.00 0.00 N ATOM 515 CA CYS A 36 0.736 0.506 0.540 1.00 0.00 C ATOM 516 C CYS A 36 1.752 1.700 0.397 1.00 0.00 C ATOM 517 O CYS A 36 1.484 2.881 0.632 1.00 0.00 O ATOM 518 CB CYS A 36 -0.686 1.001 0.857 1.00 0.00 C ATOM 519 SG CYS A 36 -1.854 -0.334 0.622 1.00 0.00 S ATOM 0 H CYS A 36 0.417 -0.472 2.399 1.00 0.00 H new ATOM 0 HA CYS A 36 0.797 0.014 -0.431 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.735 1.364 1.884 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.942 1.840 0.210 1.00 0.00 H new ATOM 524 N LYS A 37 2.938 1.297 -0.040 1.00 0.00 N ATOM 525 CA LYS A 37 4.197 2.048 -0.106 1.00 0.00 C ATOM 526 C LYS A 37 4.749 2.911 1.086 1.00 0.00 C ATOM 527 O LYS A 37 4.497 4.115 1.071 1.00 0.00 O ATOM 528 CB LYS A 37 4.353 2.674 -1.525 1.00 0.00 C ATOM 529 CG LYS A 37 5.584 3.580 -1.787 1.00 0.00 C ATOM 530 CD LYS A 37 5.815 3.950 -3.266 1.00 0.00 C ATOM 531 CE LYS A 37 6.427 2.817 -4.113 1.00 0.00 C ATOM 532 NZ LYS A 37 6.652 3.236 -5.507 1.00 0.00 N ATOM 0 H LYS A 37 3.060 0.347 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 37 4.926 1.261 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.377 1.860 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.457 3.259 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.470 4.499 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 37 6.474 3.076 -1.410 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.863 4.245 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 37 6.471 4.819 -3.313 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.372 2.503 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.764 1.952 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.064 2.447 -6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.746 3.512 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.305 4.046 -5.525 1.00 0.00 H new ATOM 545 N PRO A 38 5.609 2.400 2.022 1.00 0.00 N ATOM 546 CA PRO A 38 6.286 3.224 3.063 1.00 0.00 C ATOM 547 C PRO A 38 7.651 3.888 2.701 1.00 0.00 C ATOM 548 O PRO A 38 7.937 4.966 3.229 1.00 0.00 O ATOM 549 CB PRO A 38 6.473 2.195 4.203 1.00 0.00 C ATOM 550 CG PRO A 38 6.650 0.845 3.507 1.00 0.00 C ATOM 551 CD PRO A 38 5.828 0.956 2.223 1.00 0.00 C ATOM 0 HA PRO A 38 5.683 4.106 3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.342 2.439 4.814 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.609 2.184 4.868 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.699 0.647 3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.295 0.027 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.359 0.518 1.378 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.881 0.424 2.315 1.00 0.00 H new ATOM 559 N ARG A 39 8.496 3.226 1.878 1.00 0.00 N ATOM 560 CA ARG A 39 9.931 3.577 1.669 1.00 0.00 C ATOM 561 C ARG A 39 10.784 3.027 2.849 1.00 0.00 C ATOM 562 O ARG A 39 10.317 2.922 3.989 1.00 0.00 O ATOM 563 CB ARG A 39 10.282 5.039 1.261 1.00 0.00 C ATOM 564 CG ARG A 39 9.570 5.609 0.012 1.00 0.00 C ATOM 565 CD ARG A 39 9.945 4.900 -1.305 1.00 0.00 C ATOM 566 NE ARG A 39 9.364 5.596 -2.477 1.00 0.00 N ATOM 567 CZ ARG A 39 9.532 5.208 -3.756 1.00 0.00 C ATOM 568 NH1 ARG A 39 10.228 4.132 -4.122 1.00 0.00 N ATOM 569 NH2 ARG A 39 8.972 5.936 -4.705 1.00 0.00 N ATOM 0 H ARG A 39 8.201 2.419 1.329 1.00 0.00 H new ATOM 0 HA ARG A 39 10.205 3.069 0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.057 5.690 2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.358 5.095 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.492 5.537 0.157 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.809 6.669 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.030 4.862 -1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.591 3.870 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 39 8.798 6.426 -2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.672 3.547 -3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.317 3.894 -5.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.431 6.765 -4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.080 5.669 -5.683 1.00 0.00 H new ATOM 582 N LEU A 40 12.041 2.679 2.512 1.00 0.00 N ATOM 583 CA LEU A 40 12.977 1.854 3.329 1.00 0.00 C ATOM 584 C LEU A 40 12.646 1.567 4.831 1.00 0.00 C ATOM 585 O LEU A 40 12.765 2.420 5.715 1.00 0.00 O ATOM 586 CB LEU A 40 14.450 2.304 3.148 1.00 0.00 C ATOM 587 CG LEU A 40 15.492 1.170 3.382 1.00 0.00 C ATOM 588 CD1 LEU A 40 15.606 0.205 2.183 1.00 0.00 C ATOM 589 CD2 LEU A 40 16.880 1.744 3.721 1.00 0.00 C ATOM 0 H LEU A 40 12.457 2.973 1.628 1.00 0.00 H new ATOM 0 HA LEU A 40 12.812 0.871 2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 40 14.577 2.698 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.657 3.122 3.838 1.00 0.00 H new ATOM 0 HG LEU A 40 15.123 0.598 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 40 16.347 -0.564 2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.639 -0.264 2.000 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.913 0.761 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 40 17.583 0.926 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 40 17.227 2.368 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 40 16.814 2.345 4.628 1.00 0.00 H new ATOM 601 N ILE A 41 12.182 0.333 5.026 1.00 0.00 N ATOM 602 CA ILE A 41 11.834 -0.248 6.358 1.00 0.00 C ATOM 603 C ILE A 41 12.032 -1.800 6.259 1.00 0.00 C ATOM 604 O ILE A 41 11.089 -2.587 6.382 1.00 0.00 O ATOM 605 CB ILE A 41 10.427 0.255 6.865 1.00 0.00 C ATOM 606 CG1 ILE A 41 10.167 -0.148 8.346 1.00 0.00 C ATOM 607 CG2 ILE A 41 9.232 -0.121 5.946 1.00 0.00 C ATOM 608 CD1 ILE A 41 9.017 0.596 9.044 1.00 0.00 C ATOM 0 H ILE A 41 12.028 -0.319 4.257 1.00 0.00 H new ATOM 0 HA ILE A 41 12.498 0.104 7.148 1.00 0.00 H new ATOM 0 HB ILE A 41 10.486 1.342 6.814 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.959 -1.217 8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 41 11.082 0.018 8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.308 0.266 6.374 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.383 0.312 4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.166 -1.206 5.861 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.922 0.239 10.070 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.226 1.666 9.050 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.086 0.411 8.508 1.00 0.00 H new ATOM 620 N MET A 42 13.291 -2.224 6.011 1.00 0.00 N ATOM 621 CA MET A 42 13.663 -3.625 5.636 1.00 0.00 C ATOM 622 C MET A 42 12.918 -4.088 4.342 1.00 0.00 C ATOM 623 O MET A 42 12.067 -4.981 4.353 1.00 0.00 O ATOM 624 CB MET A 42 13.587 -4.634 6.814 1.00 0.00 C ATOM 625 CG MET A 42 14.522 -4.347 7.999 1.00 0.00 C ATOM 626 SD MET A 42 14.345 -5.667 9.214 1.00 0.00 S ATOM 627 CE MET A 42 15.485 -5.103 10.491 1.00 0.00 C ATOM 0 H MET A 42 14.096 -1.600 6.064 1.00 0.00 H new ATOM 0 HA MET A 42 14.724 -3.611 5.387 1.00 0.00 H new ATOM 0 HB2 MET A 42 12.561 -4.658 7.182 1.00 0.00 H new ATOM 0 HB3 MET A 42 13.812 -5.629 6.431 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.555 -4.285 7.658 1.00 0.00 H new ATOM 0 HG3 MET A 42 14.276 -3.385 8.449 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.489 -5.816 11.316 1.00 0.00 H new ATOM 0 HE2 MET A 42 16.489 -5.025 10.074 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.167 -4.127 10.857 1.00 0.00 H new ATOM 637 N GLU A 43 13.266 -3.435 3.222 1.00 0.00 N ATOM 638 CA GLU A 43 12.552 -3.500 1.953 1.00 0.00 C ATOM 639 C GLU A 43 13.587 -4.082 0.957 1.00 0.00 C ATOM 640 O GLU A 43 13.852 -5.289 0.928 1.00 0.00 O ATOM 641 CB GLU A 43 11.852 -2.100 1.961 1.00 0.00 C ATOM 642 CG GLU A 43 11.414 -1.608 0.606 1.00 0.00 C ATOM 643 CD GLU A 43 10.665 -0.271 0.618 1.00 0.00 C ATOM 644 OE1 GLU A 43 9.605 -0.088 1.218 1.00 0.00 O ATOM 645 OE2 GLU A 43 11.308 0.687 -0.124 1.00 0.00 O ATOM 0 H GLU A 43 14.084 -2.827 3.182 1.00 0.00 H new ATOM 0 HA GLU A 43 11.725 -4.156 1.682 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.981 -2.148 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.535 -1.370 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.293 -1.510 -0.031 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.773 -2.363 0.151 1.00 0.00 H new ATOM 653 N GLY A 44 14.187 -3.179 0.217 1.00 0.00 N ATOM 654 CA GLY A 44 15.291 -3.453 -0.729 1.00 0.00 C ATOM 655 C GLY A 44 16.667 -3.736 -0.080 1.00 0.00 C ATOM 656 O GLY A 44 17.246 -4.797 -0.331 1.00 0.00 O ATOM 0 H GLY A 44 13.925 -2.194 0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.015 -4.310 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.393 -2.599 -1.399 1.00 0.00 H new ATOM 660 N LEU A 45 17.185 -2.783 0.720 1.00 0.00 N ATOM 661 CA LEU A 45 18.536 -2.877 1.336 1.00 0.00 C ATOM 662 C LEU A 45 18.389 -3.348 2.815 1.00 0.00 C ATOM 663 O LEU A 45 18.595 -4.536 3.084 1.00 0.00 O ATOM 664 CB LEU A 45 19.351 -1.554 1.157 1.00 0.00 C ATOM 665 CG LEU A 45 19.792 -1.082 -0.261 1.00 0.00 C ATOM 666 CD1 LEU A 45 20.574 -2.148 -1.055 1.00 0.00 C ATOM 667 CD2 LEU A 45 18.652 -0.482 -1.109 1.00 0.00 C ATOM 0 H LEU A 45 16.686 -1.927 0.961 1.00 0.00 H new ATOM 0 HA LEU A 45 19.131 -3.628 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 45 18.759 -0.750 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 45 20.254 -1.649 1.760 1.00 0.00 H new ATOM 0 HG LEU A 45 20.486 -0.267 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.847 -1.747 -2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 45 21.477 -2.419 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 45 19.951 -3.033 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 45 19.042 -0.179 -2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.871 -1.229 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.236 0.386 -0.598 1.00 0.00 H new ATOM 679 N GLY A 46 18.029 -2.450 3.754 1.00 0.00 N ATOM 680 CA GLY A 46 17.857 -2.810 5.174 1.00 0.00 C ATOM 681 C GLY A 46 17.331 -1.602 5.962 1.00 0.00 C ATOM 682 O GLY A 46 16.146 -1.277 5.871 1.00 0.00 O ATOM 0 H GLY A 46 17.851 -1.466 3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 46 17.162 -3.644 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 46 18.808 -3.141 5.592 1.00 0.00 H new ATOM 686 N LEU A 47 18.216 -0.952 6.735 1.00 0.00 N ATOM 687 CA LEU A 47 17.860 0.210 7.597 1.00 0.00 C ATOM 688 C LEU A 47 18.669 1.482 7.210 1.00 0.00 C ATOM 689 O LEU A 47 18.048 2.505 6.907 1.00 0.00 O ATOM 690 CB LEU A 47 17.988 -0.133 9.112 1.00 0.00 C ATOM 691 CG LEU A 47 17.029 -1.217 9.686 1.00 0.00 C ATOM 692 CD1 LEU A 47 17.419 -1.565 11.136 1.00 0.00 C ATOM 693 CD2 LEU A 47 15.541 -0.808 9.626 1.00 0.00 C ATOM 0 H LEU A 47 19.202 -1.210 6.787 1.00 0.00 H new ATOM 0 HA LEU A 47 16.810 0.438 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 47 19.012 -0.457 9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.836 0.785 9.679 1.00 0.00 H new ATOM 0 HG LEU A 47 17.142 -2.095 9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 47 16.739 -2.324 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.440 -1.947 11.157 1.00 0.00 H new ATOM 0 HD13 LEU A 47 17.354 -0.670 11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.927 -1.607 10.041 1.00 0.00 H new ATOM 0 HD22 LEU A 47 15.391 0.103 10.205 1.00 0.00 H new ATOM 0 HD23 LEU A 47 15.254 -0.631 8.590 1.00 0.00 H new ATOM 705 N ALA A 48 20.024 1.440 7.238 1.00 0.00 N ATOM 706 CA ALA A 48 20.916 2.577 6.878 1.00 0.00 C ATOM 707 C ALA A 48 20.832 3.742 7.892 1.00 0.00 C ATOM 708 O ALA A 48 19.997 4.646 7.833 1.00 0.00 O ATOM 709 CB ALA A 48 20.771 3.042 5.410 1.00 0.00 C ATOM 710 OXT ALA A 48 21.787 3.644 8.873 1.00 0.00 O ATOM 0 H ALA A 48 20.538 0.604 7.515 1.00 0.00 H new ATOM 0 HA ALA A 48 21.930 2.183 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.452 3.872 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 48 21.013 2.216 4.741 1.00 0.00 H new ATOM 0 HB3 ALA A 48 19.746 3.366 5.230 1.00 0.00 H new TER 717 ALA A 48