USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASP N :NH3+ 146:sc= 0.0142 (180deg=0) USER MOD Single : A 8 TYR OH : rot 130:sc= -1.08 USER MOD Single : A 9 THR OG1 : rot -74:sc= 1.27 USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0379) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.4) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.011) USER MOD Single : A 30 THR OG1 : rot 28:sc= 0.103 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0521 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -4.06! (180deg=-4.43!) USER MOD Single : A 41 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 42 ASN : amide:sc= -8.1! C(o=-8.1!,f=-10!) USER MOD Single : A 44 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.243) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 173:sc= 0 (180deg=-0.044) USER MOD Single : A 52 THR OG1 : rot 150:sc= 1.9 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.048 16.823 4.096 1.00 0.00 N ATOM 2 CA ASP A 1 -8.260 15.527 3.399 1.00 0.00 C ATOM 3 C ASP A 1 -6.945 15.008 2.816 1.00 0.00 C ATOM 4 O ASP A 1 -6.121 15.791 2.332 1.00 0.00 O ATOM 5 CB ASP A 1 -9.304 15.742 2.291 1.00 0.00 C ATOM 6 CG ASP A 1 -9.865 14.442 1.733 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.077 13.638 1.193 1.00 0.00 O ATOM 8 OD2 ASP A 1 -11.092 14.232 1.840 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.890 17.422 3.979 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.884 16.650 5.108 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.221 17.305 3.689 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.620 14.778 4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -10.123 16.344 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -8.851 16.312 1.480 1.00 0.00 H new ATOM 15 N PHE A 2 -6.764 13.685 2.870 1.00 0.00 N ATOM 16 CA PHE A 2 -5.553 13.038 2.352 1.00 0.00 C ATOM 17 C PHE A 2 -5.889 11.887 1.384 1.00 0.00 C ATOM 18 O PHE A 2 -4.990 11.306 0.768 1.00 0.00 O ATOM 19 CB PHE A 2 -4.663 12.536 3.521 1.00 0.00 C ATOM 20 CG PHE A 2 -5.330 11.592 4.512 1.00 0.00 C ATOM 21 CD1 PHE A 2 -5.764 10.330 4.125 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.530 11.984 5.825 1.00 0.00 C ATOM 23 CE1 PHE A 2 -6.388 9.483 5.024 1.00 0.00 C ATOM 24 CE2 PHE A 2 -6.161 11.143 6.728 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.593 9.892 6.324 1.00 0.00 C ATOM 0 H PHE A 2 -7.444 13.038 3.269 1.00 0.00 H new ATOM 0 HA PHE A 2 -4.996 13.784 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -3.794 12.032 3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.294 13.403 4.068 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -5.612 10.005 3.106 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -5.190 12.957 6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -6.714 8.503 4.707 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.316 11.464 7.747 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.089 9.238 7.026 1.00 0.00 H new ATOM 35 N CYS A 3 -7.188 11.560 1.275 1.00 0.00 N ATOM 36 CA CYS A 3 -7.667 10.472 0.412 1.00 0.00 C ATOM 37 C CYS A 3 -7.603 10.824 -1.080 1.00 0.00 C ATOM 38 O CYS A 3 -7.063 10.050 -1.876 1.00 0.00 O ATOM 39 CB CYS A 3 -9.098 10.089 0.799 1.00 0.00 C ATOM 40 SG CYS A 3 -9.223 9.125 2.342 1.00 0.00 S ATOM 0 H CYS A 3 -7.931 12.042 1.781 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.000 9.624 0.568 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -9.690 10.998 0.903 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.540 9.512 -0.013 1.00 0.00 H new ATOM 45 N LEU A 4 -8.161 11.985 -1.449 1.00 0.00 N ATOM 46 CA LEU A 4 -8.178 12.440 -2.843 1.00 0.00 C ATOM 47 C LEU A 4 -6.871 13.160 -3.232 1.00 0.00 C ATOM 48 O LEU A 4 -6.882 14.198 -3.906 1.00 0.00 O ATOM 49 CB LEU A 4 -9.426 13.320 -3.097 1.00 0.00 C ATOM 50 CG LEU A 4 -9.793 14.363 -2.018 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.845 15.558 -2.028 1.00 0.00 C ATOM 52 CD2 LEU A 4 -11.229 14.825 -2.211 1.00 0.00 C ATOM 0 H LEU A 4 -8.609 12.628 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.242 11.564 -3.488 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.280 13.848 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.282 12.659 -3.231 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.693 13.881 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.142 16.265 -1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.827 15.217 -1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.887 16.048 -3.001 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.481 15.560 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.337 15.276 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.900 13.970 -2.127 1.00 0.00 H new ATOM 64 N GLU A 5 -5.746 12.573 -2.808 1.00 0.00 N ATOM 65 CA GLU A 5 -4.415 13.111 -3.099 1.00 0.00 C ATOM 66 C GLU A 5 -3.525 12.029 -3.732 1.00 0.00 C ATOM 67 O GLU A 5 -3.755 10.838 -3.501 1.00 0.00 O ATOM 68 CB GLU A 5 -3.753 13.650 -1.818 1.00 0.00 C ATOM 69 CG GLU A 5 -4.434 14.880 -1.216 1.00 0.00 C ATOM 70 CD GLU A 5 -4.236 16.146 -2.037 1.00 0.00 C ATOM 71 OE1 GLU A 5 -3.073 16.578 -2.196 1.00 0.00 O ATOM 72 OE2 GLU A 5 -5.244 16.703 -2.520 1.00 0.00 O ATOM 0 H GLU A 5 -5.734 11.715 -2.256 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.529 13.933 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.740 12.857 -1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.715 13.898 -2.038 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.502 14.683 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.047 15.044 -0.210 1.00 0.00 H new ATOM 79 N PRO A 6 -2.495 12.415 -4.550 1.00 0.00 N ATOM 80 CA PRO A 6 -1.593 11.442 -5.209 1.00 0.00 C ATOM 81 C PRO A 6 -0.734 10.632 -4.215 1.00 0.00 C ATOM 82 O PRO A 6 -0.172 11.209 -3.280 1.00 0.00 O ATOM 83 CB PRO A 6 -0.700 12.317 -6.100 1.00 0.00 C ATOM 84 CG PRO A 6 -0.767 13.684 -5.508 1.00 0.00 C ATOM 85 CD PRO A 6 -2.137 13.810 -4.906 1.00 0.00 C ATOM 0 HA PRO A 6 -2.161 10.689 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.325 11.945 -6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.054 12.318 -7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.005 13.819 -4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.604 14.447 -6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -2.131 14.458 -4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -2.847 14.238 -5.614 1.00 0.00 H new ATOM 93 N PRO A 7 -0.622 9.277 -4.397 1.00 0.00 N ATOM 94 CA PRO A 7 0.169 8.391 -3.509 1.00 0.00 C ATOM 95 C PRO A 7 1.654 8.781 -3.403 1.00 0.00 C ATOM 96 O PRO A 7 2.271 9.180 -4.395 1.00 0.00 O ATOM 97 CB PRO A 7 0.008 7.016 -4.180 1.00 0.00 C ATOM 98 CG PRO A 7 -0.326 7.322 -5.587 1.00 0.00 C ATOM 99 CD PRO A 7 -1.257 8.475 -5.470 1.00 0.00 C ATOM 0 HA PRO A 7 -0.180 8.437 -2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.925 6.431 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -0.780 6.433 -3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.562 7.578 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.796 6.473 -6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.336 9.032 -6.404 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.265 8.160 -5.201 1.00 0.00 H new ATOM 107 N TYR A 8 2.200 8.659 -2.187 1.00 0.00 N ATOM 108 CA TYR A 8 3.601 8.994 -1.916 1.00 0.00 C ATOM 109 C TYR A 8 4.373 7.747 -1.463 1.00 0.00 C ATOM 110 O TYR A 8 4.254 7.314 -0.308 1.00 0.00 O ATOM 111 CB TYR A 8 3.666 10.113 -0.847 1.00 0.00 C ATOM 112 CG TYR A 8 5.060 10.657 -0.549 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.833 11.259 -1.541 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.593 10.573 0.735 1.00 0.00 C ATOM 115 CE1 TYR A 8 7.091 11.756 -1.263 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.852 11.072 1.017 1.00 0.00 C ATOM 117 CZ TYR A 8 7.595 11.660 0.016 1.00 0.00 C ATOM 118 OH TYR A 8 8.847 12.158 0.296 1.00 0.00 O ATOM 0 H TYR A 8 1.687 8.328 -1.370 1.00 0.00 H new ATOM 0 HA TYR A 8 4.070 9.358 -2.830 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.034 10.940 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 8 3.238 9.731 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.441 11.338 -2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 8 5.015 10.112 1.522 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.677 12.218 -2.044 1.00 0.00 H new ATOM 0 HE2 TYR A 8 7.251 11.001 2.018 1.00 0.00 H new ATOM 0 HH TYR A 8 8.800 12.734 1.087 1.00 0.00 H new ATOM 128 N THR A 9 5.159 7.169 -2.383 1.00 0.00 N ATOM 129 CA THR A 9 5.951 5.972 -2.092 1.00 0.00 C ATOM 130 C THR A 9 7.394 6.353 -1.706 1.00 0.00 C ATOM 131 O THR A 9 7.726 6.410 -0.518 1.00 0.00 O ATOM 132 CB THR A 9 5.929 5.017 -3.309 1.00 0.00 C ATOM 133 OG1 THR A 9 4.598 4.776 -3.728 1.00 0.00 O ATOM 134 CG2 THR A 9 6.574 3.660 -3.055 1.00 0.00 C ATOM 0 H THR A 9 5.261 7.515 -3.337 1.00 0.00 H new ATOM 0 HA THR A 9 5.510 5.454 -1.241 1.00 0.00 H new ATOM 0 HB THR A 9 6.512 5.532 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.159 4.173 -3.092 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.515 3.054 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.619 3.800 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.050 3.154 -2.244 1.00 0.00 H new ATOM 142 N GLY A 10 8.241 6.577 -2.721 1.00 0.00 N ATOM 143 CA GLY A 10 9.637 6.910 -2.497 1.00 0.00 C ATOM 144 C GLY A 10 10.543 5.744 -2.876 1.00 0.00 C ATOM 145 O GLY A 10 10.203 4.599 -2.567 1.00 0.00 O ATOM 0 H GLY A 10 7.973 6.531 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.904 7.789 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.790 7.168 -1.449 1.00 0.00 H new ATOM 149 N PRO A 11 11.704 5.980 -3.564 1.00 0.00 N ATOM 150 CA PRO A 11 12.624 4.896 -3.982 1.00 0.00 C ATOM 151 C PRO A 11 13.286 4.182 -2.791 1.00 0.00 C ATOM 152 O PRO A 11 14.415 4.504 -2.395 1.00 0.00 O ATOM 153 CB PRO A 11 13.671 5.615 -4.854 1.00 0.00 C ATOM 154 CG PRO A 11 13.075 6.942 -5.177 1.00 0.00 C ATOM 155 CD PRO A 11 12.207 7.298 -4.008 1.00 0.00 C ATOM 0 HA PRO A 11 12.096 4.103 -4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.615 5.728 -4.321 1.00 0.00 H new ATOM 0 HB3 PRO A 11 13.883 5.048 -5.761 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.851 7.692 -5.330 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.492 6.895 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.771 7.802 -3.223 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.395 7.966 -4.295 1.00 0.00 H new ATOM 163 N CYS A 12 12.554 3.215 -2.218 1.00 0.00 N ATOM 164 CA CYS A 12 13.037 2.448 -1.064 1.00 0.00 C ATOM 165 C CYS A 12 12.698 0.952 -1.204 1.00 0.00 C ATOM 166 O CYS A 12 12.291 0.499 -2.279 1.00 0.00 O ATOM 167 CB CYS A 12 12.439 3.029 0.229 1.00 0.00 C ATOM 168 SG CYS A 12 12.871 4.774 0.523 1.00 0.00 S ATOM 0 H CYS A 12 11.623 2.946 -2.537 1.00 0.00 H new ATOM 0 HA CYS A 12 14.123 2.530 -1.021 1.00 0.00 H new ATOM 0 HB2 CYS A 12 11.354 2.935 0.190 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.780 2.433 1.075 1.00 0.00 H new ATOM 173 N LYS A 13 12.859 0.202 -0.102 1.00 0.00 N ATOM 174 CA LYS A 13 12.569 -1.229 -0.057 1.00 0.00 C ATOM 175 C LYS A 13 11.198 -1.434 0.581 1.00 0.00 C ATOM 176 O LYS A 13 11.065 -1.854 1.738 1.00 0.00 O ATOM 177 CB LYS A 13 13.664 -1.987 0.716 1.00 0.00 C ATOM 178 CG LYS A 13 15.019 -1.998 0.022 1.00 0.00 C ATOM 179 CD LYS A 13 16.056 -2.762 0.834 1.00 0.00 C ATOM 180 CE LYS A 13 17.418 -2.780 0.149 1.00 0.00 C ATOM 181 NZ LYS A 13 18.049 -1.428 0.103 1.00 0.00 N ATOM 0 H LYS A 13 13.196 0.579 0.784 1.00 0.00 H new ATOM 0 HA LYS A 13 12.556 -1.631 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.776 -1.536 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.339 -3.016 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 13 14.920 -2.453 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.358 -0.974 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.152 -2.307 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.714 -3.785 0.988 1.00 0.00 H new ATOM 0 HE2 LYS A 13 18.078 -3.468 0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 13 17.306 -3.161 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.013 -1.508 -0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 17.485 -0.802 -0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 18.089 -1.031 1.063 1.00 0.00 H new ATOM 195 N ALA A 14 10.182 -1.077 -0.199 1.00 0.00 N ATOM 196 CA ALA A 14 8.780 -1.145 0.225 1.00 0.00 C ATOM 197 C ALA A 14 8.209 -2.569 0.191 1.00 0.00 C ATOM 198 O ALA A 14 7.699 -3.046 1.207 1.00 0.00 O ATOM 199 CB ALA A 14 7.945 -0.220 -0.650 1.00 0.00 C ATOM 0 H ALA A 14 10.305 -0.730 -1.150 1.00 0.00 H new ATOM 0 HA ALA A 14 8.738 -0.823 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.902 -0.268 -0.338 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.308 0.803 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.027 -0.532 -1.691 1.00 0.00 H new ATOM 205 N ARG A 15 8.289 -3.235 -0.986 1.00 0.00 N ATOM 206 CA ARG A 15 7.779 -4.624 -1.211 1.00 0.00 C ATOM 207 C ARG A 15 6.349 -4.861 -0.664 1.00 0.00 C ATOM 208 O ARG A 15 5.941 -5.999 -0.404 1.00 0.00 O ATOM 209 CB ARG A 15 8.786 -5.691 -0.679 1.00 0.00 C ATOM 210 CG ARG A 15 9.029 -5.682 0.837 1.00 0.00 C ATOM 211 CD ARG A 15 8.089 -6.634 1.574 1.00 0.00 C ATOM 212 NE ARG A 15 8.122 -6.450 3.036 1.00 0.00 N ATOM 213 CZ ARG A 15 9.121 -6.843 3.848 1.00 0.00 C ATOM 214 NH1 ARG A 15 10.197 -7.461 3.364 1.00 0.00 N ATOM 215 NH2 ARG A 15 9.036 -6.613 5.151 1.00 0.00 N ATOM 0 H ARG A 15 8.712 -2.826 -1.819 1.00 0.00 H new ATOM 0 HA ARG A 15 7.698 -4.741 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 15 8.424 -6.679 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.742 -5.544 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.062 -5.964 1.040 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.893 -4.670 1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 15 7.071 -6.482 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.360 -7.662 1.335 1.00 0.00 H new ATOM 0 HE ARG A 15 7.322 -5.987 3.468 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.273 -7.643 2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.945 -7.752 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 15 8.217 -6.141 5.533 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.790 -6.909 5.771 1.00 0.00 H new ATOM 229 N ILE A 16 5.608 -3.770 -0.509 1.00 0.00 N ATOM 230 CA ILE A 16 4.231 -3.807 0.003 1.00 0.00 C ATOM 231 C ILE A 16 3.345 -2.892 -0.850 1.00 0.00 C ATOM 232 O ILE A 16 3.780 -1.821 -1.259 1.00 0.00 O ATOM 233 CB ILE A 16 4.159 -3.375 1.508 1.00 0.00 C ATOM 234 CG1 ILE A 16 5.146 -4.199 2.370 1.00 0.00 C ATOM 235 CG2 ILE A 16 2.729 -3.531 2.050 1.00 0.00 C ATOM 236 CD1 ILE A 16 5.506 -3.555 3.701 1.00 0.00 C ATOM 0 H ILE A 16 5.939 -2.832 -0.733 1.00 0.00 H new ATOM 0 HA ILE A 16 3.873 -4.834 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 16 4.444 -2.325 1.567 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.711 -5.180 2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.060 -4.361 1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.701 -3.226 3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.050 -2.905 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.420 -4.573 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.201 -4.198 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.972 -2.586 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.603 -3.418 4.295 1.00 0.00 H new ATOM 248 N ILE A 17 2.106 -3.327 -1.094 1.00 0.00 N ATOM 249 CA ILE A 17 1.135 -2.561 -1.890 1.00 0.00 C ATOM 250 C ILE A 17 -0.098 -2.284 -1.035 1.00 0.00 C ATOM 251 O ILE A 17 -0.894 -3.175 -0.722 1.00 0.00 O ATOM 252 CB ILE A 17 0.731 -3.319 -3.204 1.00 0.00 C ATOM 253 CG1 ILE A 17 1.964 -3.743 -4.027 1.00 0.00 C ATOM 254 CG2 ILE A 17 -0.186 -2.470 -4.083 1.00 0.00 C ATOM 255 CD1 ILE A 17 2.567 -5.071 -3.609 1.00 0.00 C ATOM 0 H ILE A 17 1.746 -4.216 -0.748 1.00 0.00 H new ATOM 0 HA ILE A 17 1.598 -1.622 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 17 0.196 -4.213 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.682 -3.800 -5.078 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.726 -2.969 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.445 -3.027 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.095 -2.227 -3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.327 -1.549 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.429 -5.293 -4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.883 -5.015 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.823 -5.860 -3.721 1.00 0.00 H new ATOM 267 N ARG A 18 -0.205 -1.020 -0.675 1.00 0.00 N ATOM 268 CA ARG A 18 -1.272 -0.476 0.141 1.00 0.00 C ATOM 269 C ARG A 18 -2.488 -0.072 -0.715 1.00 0.00 C ATOM 270 O ARG A 18 -2.567 -0.437 -1.889 1.00 0.00 O ATOM 271 CB ARG A 18 -0.678 0.731 0.852 1.00 0.00 C ATOM 272 CG ARG A 18 -0.290 0.470 2.295 1.00 0.00 C ATOM 273 CD ARG A 18 -0.025 1.764 3.047 1.00 0.00 C ATOM 274 NE ARG A 18 0.275 1.525 4.463 1.00 0.00 N ATOM 275 CZ ARG A 18 0.505 2.487 5.368 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.477 3.775 5.029 1.00 0.00 N ATOM 277 NH2 ARG A 18 0.766 2.155 6.626 1.00 0.00 N ATOM 0 H ARG A 18 0.477 -0.315 -0.955 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.640 -1.217 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.204 1.064 0.304 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.399 1.548 0.823 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.087 -0.083 2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.601 -0.158 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.810 2.288 2.583 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.895 2.415 2.966 1.00 0.00 H new ATOM 0 HE ARG A 18 0.311 0.557 4.782 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.278 4.045 4.066 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.655 4.492 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.791 1.173 6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.942 2.882 7.319 1.00 0.00 H new ATOM 291 N TYR A 19 -3.426 0.685 -0.120 1.00 0.00 N ATOM 292 CA TYR A 19 -4.626 1.146 -0.830 1.00 0.00 C ATOM 293 C TYR A 19 -4.798 2.651 -0.661 1.00 0.00 C ATOM 294 O TYR A 19 -4.399 3.210 0.373 1.00 0.00 O ATOM 295 CB TYR A 19 -5.876 0.412 -0.327 1.00 0.00 C ATOM 296 CG TYR A 19 -5.907 -1.067 -0.663 1.00 0.00 C ATOM 297 CD1 TYR A 19 -5.099 -1.978 0.010 1.00 0.00 C ATOM 298 CD2 TYR A 19 -6.746 -1.548 -1.659 1.00 0.00 C ATOM 299 CE1 TYR A 19 -5.128 -3.324 -0.300 1.00 0.00 C ATOM 300 CE2 TYR A 19 -6.782 -2.894 -1.974 1.00 0.00 C ATOM 301 CZ TYR A 19 -5.971 -3.777 -1.292 1.00 0.00 C ATOM 302 OH TYR A 19 -6.004 -5.116 -1.604 1.00 0.00 O ATOM 0 H TYR A 19 -3.374 0.990 0.852 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.499 0.922 -1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.941 0.529 0.755 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.759 0.888 -0.753 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.438 -1.627 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.381 -0.860 -2.197 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.494 -4.017 0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.442 -3.252 -2.750 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.651 -5.268 -2.324 1.00 0.00 H new ATOM 312 N PHE A 20 -5.425 3.304 -1.661 1.00 0.00 N ATOM 313 CA PHE A 20 -5.677 4.754 -1.606 1.00 0.00 C ATOM 314 C PHE A 20 -6.988 5.106 -2.334 1.00 0.00 C ATOM 315 O PHE A 20 -7.438 4.357 -3.203 1.00 0.00 O ATOM 316 CB PHE A 20 -4.468 5.555 -2.161 1.00 0.00 C ATOM 317 CG PHE A 20 -4.312 5.566 -3.661 1.00 0.00 C ATOM 318 CD1 PHE A 20 -4.063 4.399 -4.372 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.433 6.757 -4.357 1.00 0.00 C ATOM 320 CE1 PHE A 20 -3.939 4.427 -5.746 1.00 0.00 C ATOM 321 CE2 PHE A 20 -4.315 6.787 -5.730 1.00 0.00 C ATOM 322 CZ PHE A 20 -4.068 5.622 -6.424 1.00 0.00 C ATOM 0 H PHE A 20 -5.763 2.851 -2.510 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.796 5.043 -0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.553 6.586 -1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.556 5.147 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.966 3.461 -3.845 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.622 7.673 -3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.741 3.515 -6.290 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -4.416 7.722 -6.261 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.975 5.644 -7.500 1.00 0.00 H new ATOM 332 N TYR A 21 -7.600 6.241 -1.953 1.00 0.00 N ATOM 333 CA TYR A 21 -8.875 6.689 -2.539 1.00 0.00 C ATOM 334 C TYR A 21 -8.691 7.456 -3.855 1.00 0.00 C ATOM 335 O TYR A 21 -8.112 8.550 -3.873 1.00 0.00 O ATOM 336 CB TYR A 21 -9.659 7.577 -1.532 1.00 0.00 C ATOM 337 CG TYR A 21 -10.956 8.196 -2.064 1.00 0.00 C ATOM 338 CD1 TYR A 21 -11.873 7.459 -2.815 1.00 0.00 C ATOM 339 CD2 TYR A 21 -11.253 9.529 -1.806 1.00 0.00 C ATOM 340 CE1 TYR A 21 -13.038 8.035 -3.287 1.00 0.00 C ATOM 341 CE2 TYR A 21 -12.416 10.108 -2.274 1.00 0.00 C ATOM 342 CZ TYR A 21 -13.304 9.358 -3.013 1.00 0.00 C ATOM 343 OH TYR A 21 -14.463 9.933 -3.481 1.00 0.00 O ATOM 0 H TYR A 21 -7.230 6.867 -1.238 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.442 5.785 -2.760 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.898 6.976 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.004 8.382 -1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.669 6.421 -3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.561 10.124 -1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -13.736 7.450 -3.868 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.629 11.145 -2.061 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.499 10.871 -3.200 1.00 0.00 H new ATOM 353 N ASN A 22 -9.233 6.890 -4.938 1.00 0.00 N ATOM 354 CA ASN A 22 -9.196 7.516 -6.238 1.00 0.00 C ATOM 355 C ASN A 22 -10.607 7.954 -6.615 1.00 0.00 C ATOM 356 O ASN A 22 -11.379 7.170 -7.200 1.00 0.00 O ATOM 357 CB ASN A 22 -8.676 6.551 -7.305 1.00 0.00 C ATOM 358 CG ASN A 22 -7.280 6.042 -7.063 1.00 0.00 C ATOM 359 OD1 ASN A 22 -6.969 5.532 -5.988 1.00 0.00 O ATOM 360 ND2 ASN A 22 -6.443 6.146 -8.086 1.00 0.00 N ATOM 0 H ASN A 22 -9.706 5.986 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.523 8.372 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.353 5.699 -7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.703 7.051 -8.273 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.489 5.794 -8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.753 6.578 -8.956 1.00 0.00 H new ATOM 367 N ALA A 23 -10.975 9.200 -6.270 1.00 0.00 N ATOM 368 CA ALA A 23 -12.313 9.726 -6.575 1.00 0.00 C ATOM 369 C ALA A 23 -12.536 9.872 -8.097 1.00 0.00 C ATOM 370 O ALA A 23 -13.496 10.516 -8.541 1.00 0.00 O ATOM 371 CB ALA A 23 -12.509 11.066 -5.870 1.00 0.00 C ATOM 0 H ALA A 23 -10.367 9.857 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.052 9.014 -6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -13.502 11.455 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.411 10.928 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.755 11.773 -6.216 1.00 0.00 H new ATOM 377 N LYS A 24 -11.665 9.214 -8.882 1.00 0.00 N ATOM 378 CA LYS A 24 -11.763 9.200 -10.340 1.00 0.00 C ATOM 379 C LYS A 24 -12.463 7.906 -10.766 1.00 0.00 C ATOM 380 O LYS A 24 -13.275 7.897 -11.696 1.00 0.00 O ATOM 381 CB LYS A 24 -10.358 9.305 -10.972 1.00 0.00 C ATOM 382 CG LYS A 24 -10.339 9.653 -12.465 1.00 0.00 C ATOM 383 CD LYS A 24 -10.661 11.122 -12.722 1.00 0.00 C ATOM 384 CE LYS A 24 -10.637 11.446 -14.206 1.00 0.00 C ATOM 385 NZ LYS A 24 -10.950 12.878 -14.468 1.00 0.00 N ATOM 0 H LYS A 24 -10.876 8.679 -8.518 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.343 10.056 -10.686 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.789 10.062 -10.431 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.841 8.356 -10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.357 9.421 -12.877 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -11.061 9.028 -12.991 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.644 11.357 -12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.940 11.750 -12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.654 11.209 -14.613 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.358 10.816 -14.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.923 13.057 -15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.898 13.099 -14.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.247 13.480 -13.993 1.00 0.00 H new ATOM 399 N ALA A 25 -12.136 6.826 -10.045 1.00 0.00 N ATOM 400 CA ALA A 25 -12.709 5.508 -10.283 1.00 0.00 C ATOM 401 C ALA A 25 -13.843 5.214 -9.296 1.00 0.00 C ATOM 402 O ALA A 25 -14.645 4.304 -9.528 1.00 0.00 O ATOM 403 CB ALA A 25 -11.631 4.440 -10.186 1.00 0.00 C ATOM 0 H ALA A 25 -11.463 6.849 -9.279 1.00 0.00 H new ATOM 0 HA ALA A 25 -13.127 5.496 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -12.073 3.460 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.860 4.633 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.187 4.461 -9.191 1.00 0.00 H new ATOM 409 N GLY A 26 -13.925 6.011 -8.211 1.00 0.00 N ATOM 410 CA GLY A 26 -14.988 5.844 -7.220 1.00 0.00 C ATOM 411 C GLY A 26 -14.699 4.801 -6.147 1.00 0.00 C ATOM 412 O GLY A 26 -15.613 4.401 -5.421 1.00 0.00 O ATOM 0 H GLY A 26 -13.271 6.767 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.169 6.804 -6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.908 5.569 -7.736 1.00 0.00 H new ATOM 416 N LEU A 27 -13.436 4.353 -6.047 1.00 0.00 N ATOM 417 CA LEU A 27 -13.044 3.339 -5.055 1.00 0.00 C ATOM 418 C LEU A 27 -11.550 3.451 -4.698 1.00 0.00 C ATOM 419 O LEU A 27 -10.848 4.345 -5.191 1.00 0.00 O ATOM 420 CB LEU A 27 -13.378 1.907 -5.573 1.00 0.00 C ATOM 421 CG LEU A 27 -12.608 1.411 -6.820 1.00 0.00 C ATOM 422 CD1 LEU A 27 -12.710 -0.101 -6.934 1.00 0.00 C ATOM 423 CD2 LEU A 27 -13.128 2.062 -8.099 1.00 0.00 C ATOM 0 H LEU A 27 -12.671 4.676 -6.640 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.618 3.523 -4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.196 1.203 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.444 1.868 -5.796 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.563 1.697 -6.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.164 -0.437 -7.816 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.282 -0.563 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.757 -0.389 -7.024 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.563 1.689 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.183 1.819 -8.228 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.010 3.143 -8.031 1.00 0.00 H new ATOM 435 N CYS A 28 -11.074 2.513 -3.860 1.00 0.00 N ATOM 436 CA CYS A 28 -9.669 2.454 -3.452 1.00 0.00 C ATOM 437 C CYS A 28 -8.855 1.694 -4.494 1.00 0.00 C ATOM 438 O CYS A 28 -9.411 0.886 -5.247 1.00 0.00 O ATOM 439 CB CYS A 28 -9.532 1.787 -2.082 1.00 0.00 C ATOM 440 SG CYS A 28 -9.939 2.878 -0.689 1.00 0.00 S ATOM 0 H CYS A 28 -11.654 1.780 -3.451 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.286 3.472 -3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.182 0.913 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.509 1.429 -1.964 1.00 0.00 H new ATOM 445 N GLN A 29 -7.546 1.953 -4.543 1.00 0.00 N ATOM 446 CA GLN A 29 -6.671 1.290 -5.503 1.00 0.00 C ATOM 447 C GLN A 29 -5.388 0.815 -4.816 1.00 0.00 C ATOM 448 O GLN A 29 -4.969 1.373 -3.794 1.00 0.00 O ATOM 449 CB GLN A 29 -6.347 2.249 -6.670 1.00 0.00 C ATOM 450 CG GLN A 29 -5.751 1.584 -7.915 1.00 0.00 C ATOM 451 CD GLN A 29 -6.749 0.725 -8.677 1.00 0.00 C ATOM 452 OE1 GLN A 29 -7.768 1.217 -9.166 1.00 0.00 O ATOM 453 NE2 GLN A 29 -6.459 -0.567 -8.782 1.00 0.00 N ATOM 0 H GLN A 29 -7.073 2.616 -3.929 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.183 0.416 -5.905 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.262 2.768 -6.957 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.649 3.007 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.365 2.356 -8.580 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.904 0.966 -7.618 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.605 -0.934 -8.362 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.091 -1.192 -9.282 1.00 0.00 H new ATOM 462 N THR A 30 -4.796 -0.232 -5.402 1.00 0.00 N ATOM 463 CA THR A 30 -3.564 -0.846 -4.887 1.00 0.00 C ATOM 464 C THR A 30 -2.331 -0.020 -5.257 1.00 0.00 C ATOM 465 O THR A 30 -2.077 0.250 -6.435 1.00 0.00 O ATOM 466 CB THR A 30 -3.408 -2.280 -5.407 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.523 -2.322 -6.819 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.417 -3.253 -4.830 1.00 0.00 C ATOM 0 H THR A 30 -5.156 -0.678 -6.246 1.00 0.00 H new ATOM 0 HA THR A 30 -3.645 -0.872 -3.800 1.00 0.00 H new ATOM 0 HB THR A 30 -2.414 -2.589 -5.083 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.240 -1.463 -7.196 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.243 -4.246 -5.245 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.309 -3.289 -3.746 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.425 -2.925 -5.084 1.00 0.00 H new ATOM 476 N PHE A 31 -1.581 0.383 -4.222 1.00 0.00 N ATOM 477 CA PHE A 31 -0.371 1.192 -4.388 1.00 0.00 C ATOM 478 C PHE A 31 0.713 0.751 -3.389 1.00 0.00 C ATOM 479 O PHE A 31 0.410 0.422 -2.252 1.00 0.00 O ATOM 480 CB PHE A 31 -0.713 2.692 -4.212 1.00 0.00 C ATOM 481 CG PHE A 31 -0.635 3.197 -2.792 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.733 3.149 -1.943 1.00 0.00 C ATOM 483 CD2 PHE A 31 0.555 3.712 -2.315 1.00 0.00 C ATOM 484 CE1 PHE A 31 -1.634 3.610 -0.640 1.00 0.00 C ATOM 485 CE2 PHE A 31 0.661 4.169 -1.026 1.00 0.00 C ATOM 486 CZ PHE A 31 -0.433 4.119 -0.180 1.00 0.00 C ATOM 0 H PHE A 31 -1.797 0.157 -3.251 1.00 0.00 H new ATOM 0 HA PHE A 31 0.022 1.043 -5.394 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.034 3.280 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.720 2.867 -4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.670 2.750 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.415 3.755 -2.967 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.492 3.572 0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.600 4.568 -0.671 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.349 4.476 0.836 1.00 0.00 H new ATOM 496 N VAL A 32 1.966 0.756 -3.841 1.00 0.00 N ATOM 497 CA VAL A 32 3.131 0.356 -3.038 1.00 0.00 C ATOM 498 C VAL A 32 3.551 1.469 -2.062 1.00 0.00 C ATOM 499 O VAL A 32 3.773 2.611 -2.466 1.00 0.00 O ATOM 500 CB VAL A 32 4.340 -0.002 -3.970 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.559 -0.491 -3.186 1.00 0.00 C ATOM 502 CG2 VAL A 32 3.944 -1.049 -5.008 1.00 0.00 C ATOM 0 H VAL A 32 2.209 1.042 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 32 2.843 -0.521 -2.459 1.00 0.00 H new ATOM 0 HB VAL A 32 4.618 0.922 -4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.367 -0.725 -3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.886 0.289 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.294 -1.385 -2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.802 -1.277 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.614 -1.956 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.133 -0.662 -5.624 1.00 0.00 H new ATOM 512 N TYR A 33 3.656 1.101 -0.779 1.00 0.00 N ATOM 513 CA TYR A 33 4.052 2.027 0.285 1.00 0.00 C ATOM 514 C TYR A 33 5.426 1.640 0.837 1.00 0.00 C ATOM 515 O TYR A 33 5.665 0.471 1.151 1.00 0.00 O ATOM 516 CB TYR A 33 2.989 2.017 1.403 1.00 0.00 C ATOM 517 CG TYR A 33 3.364 2.765 2.679 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.594 4.140 2.686 1.00 0.00 C ATOM 519 CD2 TYR A 33 3.492 2.075 3.878 1.00 0.00 C ATOM 520 CE1 TYR A 33 3.940 4.799 3.852 1.00 0.00 C ATOM 521 CE2 TYR A 33 3.835 2.728 5.046 1.00 0.00 C ATOM 522 CZ TYR A 33 4.058 4.087 5.027 1.00 0.00 C ATOM 523 OH TYR A 33 4.400 4.737 6.189 1.00 0.00 O ATOM 0 H TYR A 33 3.469 0.153 -0.451 1.00 0.00 H new ATOM 0 HA TYR A 33 4.122 3.036 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.069 2.448 1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.770 0.981 1.662 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.501 4.699 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.320 1.009 3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.117 5.864 3.842 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.928 2.176 5.969 1.00 0.00 H new ATOM 0 HH TYR A 33 4.440 4.092 6.925 1.00 0.00 H new ATOM 533 N GLY A 34 6.313 2.638 0.955 1.00 0.00 N ATOM 534 CA GLY A 34 7.659 2.409 1.467 1.00 0.00 C ATOM 535 C GLY A 34 7.759 2.554 2.975 1.00 0.00 C ATOM 536 O GLY A 34 6.967 3.279 3.587 1.00 0.00 O ATOM 0 H GLY A 34 6.117 3.607 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.983 1.408 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.345 3.112 0.995 1.00 0.00 H new ATOM 540 N GLY A 35 8.740 1.860 3.563 1.00 0.00 N ATOM 541 CA GLY A 35 8.953 1.910 5.005 1.00 0.00 C ATOM 542 C GLY A 35 10.004 2.930 5.420 1.00 0.00 C ATOM 543 O GLY A 35 10.403 2.970 6.589 1.00 0.00 O ATOM 0 H GLY A 35 9.394 1.260 3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.010 2.148 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.255 0.923 5.356 1.00 0.00 H new ATOM 547 N CYS A 36 10.447 3.756 4.461 1.00 0.00 N ATOM 548 CA CYS A 36 11.451 4.791 4.716 1.00 0.00 C ATOM 549 C CYS A 36 10.784 6.137 5.012 1.00 0.00 C ATOM 550 O CYS A 36 11.182 6.843 5.943 1.00 0.00 O ATOM 551 CB CYS A 36 12.395 4.918 3.515 1.00 0.00 C ATOM 552 SG CYS A 36 11.561 5.363 1.957 1.00 0.00 S ATOM 0 H CYS A 36 10.121 3.724 3.495 1.00 0.00 H new ATOM 0 HA CYS A 36 12.030 4.499 5.592 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.150 5.671 3.738 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.919 3.972 3.377 1.00 0.00 H new ATOM 557 N ARG A 37 9.762 6.471 4.214 1.00 0.00 N ATOM 558 CA ARG A 37 9.013 7.718 4.374 1.00 0.00 C ATOM 559 C ARG A 37 7.547 7.411 4.662 1.00 0.00 C ATOM 560 O ARG A 37 6.896 6.689 3.899 1.00 0.00 O ATOM 561 CB ARG A 37 9.137 8.594 3.119 1.00 0.00 C ATOM 562 CG ARG A 37 10.545 9.123 2.871 1.00 0.00 C ATOM 563 CD ARG A 37 10.614 9.954 1.594 1.00 0.00 C ATOM 564 NE ARG A 37 11.966 10.481 1.324 1.00 0.00 N ATOM 565 CZ ARG A 37 12.568 11.468 2.015 1.00 0.00 C ATOM 566 NH1 ARG A 37 11.956 12.065 3.037 1.00 0.00 N ATOM 567 NH2 ARG A 37 13.789 11.855 1.674 1.00 0.00 N ATOM 0 H ARG A 37 9.435 5.887 3.445 1.00 0.00 H new ATOM 0 HA ARG A 37 9.433 8.269 5.215 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.819 8.016 2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.453 9.438 3.208 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.861 9.731 3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.241 8.287 2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.293 9.342 0.751 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.914 10.786 1.670 1.00 0.00 H new ATOM 0 HE ARG A 37 12.486 10.064 0.552 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.016 11.776 3.308 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.428 12.811 3.549 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.267 11.406 0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.251 12.602 2.193 1.00 0.00 H new ATOM 581 N ALA A 38 7.043 7.949 5.775 1.00 0.00 N ATOM 582 CA ALA A 38 5.660 7.727 6.188 1.00 0.00 C ATOM 583 C ALA A 38 4.827 8.996 6.087 1.00 0.00 C ATOM 584 O ALA A 38 5.284 10.082 6.457 1.00 0.00 O ATOM 585 CB ALA A 38 5.619 7.183 7.607 1.00 0.00 C ATOM 0 H ALA A 38 7.577 8.544 6.408 1.00 0.00 H new ATOM 0 HA ALA A 38 5.226 6.995 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.583 7.021 7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.161 6.238 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.084 7.899 8.285 1.00 0.00 H new ATOM 591 N LYS A 39 3.597 8.836 5.587 1.00 0.00 N ATOM 592 CA LYS A 39 2.656 9.946 5.427 1.00 0.00 C ATOM 593 C LYS A 39 1.239 9.473 5.737 1.00 0.00 C ATOM 594 O LYS A 39 1.033 8.342 6.190 1.00 0.00 O ATOM 595 CB LYS A 39 2.693 10.478 3.983 1.00 0.00 C ATOM 596 CG LYS A 39 3.181 11.923 3.838 1.00 0.00 C ATOM 597 CD LYS A 39 2.134 12.963 4.269 1.00 0.00 C ATOM 598 CE LYS A 39 1.112 13.269 3.171 1.00 0.00 C ATOM 599 NZ LYS A 39 0.210 12.113 2.895 1.00 0.00 N ATOM 0 H LYS A 39 3.228 7.935 5.283 1.00 0.00 H new ATOM 0 HA LYS A 39 2.944 10.741 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.339 9.831 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.692 10.404 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.083 12.056 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.457 12.104 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.611 12.600 5.154 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.641 13.885 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.513 14.131 3.466 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.637 13.543 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.371 12.318 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.781 11.261 2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.409 11.952 3.715 1.00 0.00 H new ATOM 613 N ARG A 40 0.271 10.335 5.443 1.00 0.00 N ATOM 614 CA ARG A 40 -1.140 10.019 5.632 1.00 0.00 C ATOM 615 C ARG A 40 -1.843 10.152 4.289 1.00 0.00 C ATOM 616 O ARG A 40 -2.278 11.240 3.915 1.00 0.00 O ATOM 617 CB ARG A 40 -1.808 10.938 6.684 1.00 0.00 C ATOM 618 CG ARG A 40 -1.144 10.935 8.059 1.00 0.00 C ATOM 619 CD ARG A 40 -1.445 9.654 8.838 1.00 0.00 C ATOM 620 NE ARG A 40 -0.872 9.670 10.191 1.00 0.00 N ATOM 621 CZ ARG A 40 0.428 9.484 10.488 1.00 0.00 C ATOM 622 NH1 ARG A 40 1.326 9.251 9.534 1.00 0.00 N ATOM 623 NH2 ARG A 40 0.824 9.535 11.753 1.00 0.00 N ATOM 0 H ARG A 40 0.442 11.268 5.069 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.224 9.000 6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.813 11.959 6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.849 10.636 6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.066 11.043 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.490 11.796 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.524 9.519 8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.051 8.798 8.290 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.511 9.835 10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.034 9.211 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.306 9.113 9.779 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.145 9.714 12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.807 9.395 11.986 1.00 0.00 H new ATOM 637 N ASN A 41 -1.913 9.046 3.547 1.00 0.00 N ATOM 638 CA ASN A 41 -2.543 9.051 2.230 1.00 0.00 C ATOM 639 C ASN A 41 -3.880 8.330 2.264 1.00 0.00 C ATOM 640 O ASN A 41 -4.893 8.890 1.844 1.00 0.00 O ATOM 641 CB ASN A 41 -1.599 8.443 1.190 1.00 0.00 C ATOM 642 CG ASN A 41 -2.061 8.646 -0.246 1.00 0.00 C ATOM 643 OD1 ASN A 41 -2.227 9.778 -0.702 1.00 0.00 O ATOM 644 ND2 ASN A 41 -2.267 7.548 -0.962 1.00 0.00 N ATOM 0 H ASN A 41 -1.543 8.140 3.835 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.742 10.083 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.609 8.883 1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.499 7.375 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.576 7.622 -1.931 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.117 6.630 -0.543 1.00 0.00 H new ATOM 651 N ASN A 42 -3.879 7.095 2.774 1.00 0.00 N ATOM 652 CA ASN A 42 -5.082 6.297 2.889 1.00 0.00 C ATOM 653 C ASN A 42 -4.882 5.176 3.902 1.00 0.00 C ATOM 654 O ASN A 42 -4.964 5.423 5.109 1.00 0.00 O ATOM 655 CB ASN A 42 -5.532 5.744 1.533 1.00 0.00 C ATOM 656 CG ASN A 42 -6.745 6.468 0.992 1.00 0.00 C ATOM 657 OD1 ASN A 42 -6.699 7.659 0.697 1.00 0.00 O ATOM 658 ND2 ASN A 42 -7.843 5.744 0.857 1.00 0.00 N ATOM 0 H ASN A 42 -3.039 6.629 3.116 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.880 6.948 3.247 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.713 5.828 0.819 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.760 4.683 1.633 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.695 6.172 0.496 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.838 4.757 1.114 1.00 0.00 H new ATOM 665 N PHE A 43 -4.669 3.932 3.422 1.00 0.00 N ATOM 666 CA PHE A 43 -4.528 2.783 4.322 1.00 0.00 C ATOM 667 C PHE A 43 -3.641 1.664 3.762 1.00 0.00 C ATOM 668 O PHE A 43 -3.059 1.787 2.680 1.00 0.00 O ATOM 669 CB PHE A 43 -5.919 2.218 4.595 1.00 0.00 C ATOM 670 CG PHE A 43 -6.724 3.004 5.589 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.656 2.715 6.942 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.549 4.031 5.168 1.00 0.00 C ATOM 673 CE1 PHE A 43 -7.398 3.439 7.856 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.292 4.757 6.073 1.00 0.00 C ATOM 675 CZ PHE A 43 -8.217 4.461 7.421 1.00 0.00 C ATOM 0 H PHE A 43 -4.593 3.706 2.430 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.041 3.142 5.229 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.470 2.172 3.655 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.818 1.195 4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.017 1.916 7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.612 4.267 4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.337 3.205 8.909 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.932 5.556 5.730 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.798 5.029 8.133 1.00 0.00 H new ATOM 685 N LYS A 44 -3.607 0.548 4.517 1.00 0.00 N ATOM 686 CA LYS A 44 -2.868 -0.658 4.154 1.00 0.00 C ATOM 687 C LYS A 44 -3.822 -1.674 3.502 1.00 0.00 C ATOM 688 O LYS A 44 -3.467 -2.326 2.516 1.00 0.00 O ATOM 689 CB LYS A 44 -2.208 -1.259 5.418 1.00 0.00 C ATOM 690 CG LYS A 44 -1.229 -2.422 5.170 1.00 0.00 C ATOM 691 CD LYS A 44 0.152 -1.958 4.692 1.00 0.00 C ATOM 692 CE LYS A 44 1.026 -1.455 5.839 1.00 0.00 C ATOM 693 NZ LYS A 44 2.364 -1.008 5.362 1.00 0.00 N ATOM 0 H LYS A 44 -4.101 0.467 5.406 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.086 -0.409 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.675 -0.464 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.996 -1.607 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.114 -2.994 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.656 -3.096 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.656 -2.784 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.031 -1.163 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.525 -0.628 6.342 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.150 -2.248 6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.733 -0.275 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.017 -1.818 5.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.278 -0.618 4.402 1.00 0.00 H new ATOM 707 N SER A 45 -5.026 -1.804 4.087 1.00 0.00 N ATOM 708 CA SER A 45 -6.044 -2.740 3.604 1.00 0.00 C ATOM 709 C SER A 45 -7.219 -2.015 2.944 1.00 0.00 C ATOM 710 O SER A 45 -7.493 -0.840 3.236 1.00 0.00 O ATOM 711 CB SER A 45 -6.550 -3.604 4.763 1.00 0.00 C ATOM 712 OG SER A 45 -5.493 -4.350 5.342 1.00 0.00 O ATOM 0 H SER A 45 -5.315 -1.264 4.903 1.00 0.00 H new ATOM 0 HA SER A 45 -5.579 -3.373 2.848 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.009 -2.969 5.521 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.324 -4.282 4.404 1.00 0.00 H new ATOM 0 HG SER A 45 -5.841 -4.892 6.080 1.00 0.00 H new ATOM 718 N ALA A 46 -7.909 -2.741 2.047 1.00 0.00 N ATOM 719 CA ALA A 46 -9.065 -2.219 1.306 1.00 0.00 C ATOM 720 C ALA A 46 -10.284 -1.968 2.201 1.00 0.00 C ATOM 721 O ALA A 46 -11.010 -0.998 1.990 1.00 0.00 O ATOM 722 CB ALA A 46 -9.434 -3.173 0.181 1.00 0.00 C ATOM 0 H ALA A 46 -7.678 -3.708 1.817 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.769 -1.254 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.292 -2.779 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.589 -3.277 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.686 -4.148 0.599 1.00 0.00 H new ATOM 728 N GLU A 47 -10.503 -2.852 3.194 1.00 0.00 N ATOM 729 CA GLU A 47 -11.644 -2.738 4.128 1.00 0.00 C ATOM 730 C GLU A 47 -11.683 -1.361 4.810 1.00 0.00 C ATOM 731 O GLU A 47 -12.713 -0.672 4.784 1.00 0.00 O ATOM 732 CB GLU A 47 -11.594 -3.851 5.188 1.00 0.00 C ATOM 733 CG GLU A 47 -11.821 -5.254 4.626 1.00 0.00 C ATOM 734 CD GLU A 47 -11.770 -6.356 5.681 1.00 0.00 C ATOM 735 OE1 GLU A 47 -11.554 -6.049 6.877 1.00 0.00 O ATOM 736 OE2 GLU A 47 -11.946 -7.533 5.306 1.00 0.00 O ATOM 0 H GLU A 47 -9.902 -3.657 3.372 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.556 -2.849 3.541 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.624 -3.822 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.348 -3.649 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.791 -5.284 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.067 -5.457 3.865 1.00 0.00 H new ATOM 743 N ASP A 48 -10.538 -0.952 5.385 1.00 0.00 N ATOM 744 CA ASP A 48 -10.414 0.353 6.043 1.00 0.00 C ATOM 745 C ASP A 48 -10.436 1.471 4.996 1.00 0.00 C ATOM 746 O ASP A 48 -11.228 2.413 5.106 1.00 0.00 O ATOM 747 CB ASP A 48 -9.129 0.419 6.887 1.00 0.00 C ATOM 748 CG ASP A 48 -9.114 -0.556 8.061 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.101 -1.304 8.245 1.00 0.00 O ATOM 750 OD2 ASP A 48 -8.106 -0.569 8.800 1.00 0.00 O ATOM 0 H ASP A 48 -9.685 -1.511 5.405 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.262 0.488 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.272 0.214 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.006 1.433 7.267 1.00 0.00 H new ATOM 755 N CYS A 49 -9.557 1.346 3.974 1.00 0.00 N ATOM 756 CA CYS A 49 -9.452 2.326 2.873 1.00 0.00 C ATOM 757 C CYS A 49 -10.821 2.660 2.256 1.00 0.00 C ATOM 758 O CYS A 49 -11.061 3.799 1.847 1.00 0.00 O ATOM 759 CB CYS A 49 -8.525 1.779 1.777 1.00 0.00 C ATOM 760 SG CYS A 49 -8.219 2.926 0.393 1.00 0.00 S ATOM 0 H CYS A 49 -8.905 0.566 3.892 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.043 3.244 3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.569 1.513 2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -8.957 0.860 1.380 1.00 0.00 H new ATOM 765 N MET A 50 -11.709 1.653 2.207 1.00 0.00 N ATOM 766 CA MET A 50 -13.051 1.805 1.656 1.00 0.00 C ATOM 767 C MET A 50 -13.993 2.489 2.648 1.00 0.00 C ATOM 768 O MET A 50 -14.712 3.430 2.275 1.00 0.00 O ATOM 769 CB MET A 50 -13.601 0.437 1.253 1.00 0.00 C ATOM 770 CG MET A 50 -13.044 -0.090 -0.063 1.00 0.00 C ATOM 771 SD MET A 50 -13.716 -1.703 -0.505 1.00 0.00 S ATOM 772 CE MET A 50 -12.872 -2.008 -2.054 1.00 0.00 C ATOM 0 H MET A 50 -11.509 0.714 2.550 1.00 0.00 H new ATOM 0 HA MET A 50 -12.987 2.443 0.775 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.379 -0.280 2.043 1.00 0.00 H new ATOM 0 HB3 MET A 50 -14.686 0.501 1.177 1.00 0.00 H new ATOM 0 HG2 MET A 50 -13.266 0.622 -0.858 1.00 0.00 H new ATOM 0 HG3 MET A 50 -11.959 -0.160 0.008 1.00 0.00 H new ATOM 0 HE1 MET A 50 -13.087 -3.022 -2.392 1.00 0.00 H new ATOM 0 HE2 MET A 50 -13.217 -1.295 -2.803 1.00 0.00 H new ATOM 0 HE3 MET A 50 -11.797 -1.893 -1.912 1.00 0.00 H new ATOM 782 N ARG A 51 -13.971 2.015 3.915 1.00 0.00 N ATOM 783 CA ARG A 51 -14.810 2.566 4.995 1.00 0.00 C ATOM 784 C ARG A 51 -14.548 4.070 5.205 1.00 0.00 C ATOM 785 O ARG A 51 -15.468 4.822 5.539 1.00 0.00 O ATOM 786 CB ARG A 51 -14.554 1.788 6.296 1.00 0.00 C ATOM 787 CG ARG A 51 -15.634 1.963 7.360 1.00 0.00 C ATOM 788 CD ARG A 51 -15.314 1.168 8.616 1.00 0.00 C ATOM 789 NE ARG A 51 -16.345 1.326 9.646 1.00 0.00 N ATOM 790 CZ ARG A 51 -16.319 0.739 10.852 1.00 0.00 C ATOM 791 NH1 ARG A 51 -15.314 -0.060 11.206 1.00 0.00 N ATOM 792 NH2 ARG A 51 -17.308 0.955 11.707 1.00 0.00 N ATOM 0 H ARG A 51 -13.373 1.244 4.213 1.00 0.00 H new ATOM 0 HA ARG A 51 -15.855 2.455 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -14.464 0.728 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -13.597 2.104 6.712 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.730 3.019 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -16.596 1.642 6.960 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.215 0.113 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.352 1.491 9.014 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.141 1.926 9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -14.548 -0.234 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -15.311 -0.498 12.127 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.083 1.565 11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.294 0.512 12.625 1.00 0.00 H new ATOM 806 N THR A 52 -13.292 4.490 4.988 1.00 0.00 N ATOM 807 CA THR A 52 -12.898 5.896 5.130 1.00 0.00 C ATOM 808 C THR A 52 -13.165 6.645 3.814 1.00 0.00 C ATOM 809 O THR A 52 -13.868 7.660 3.807 1.00 0.00 O ATOM 810 CB THR A 52 -11.411 5.986 5.550 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.182 5.191 6.700 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.920 7.392 5.883 1.00 0.00 C ATOM 0 H THR A 52 -12.530 3.871 4.712 1.00 0.00 H new ATOM 0 HA THR A 52 -13.493 6.370 5.911 1.00 0.00 H new ATOM 0 HB THR A 52 -10.861 5.638 4.676 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.262 4.854 6.687 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.868 7.353 6.166 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.038 8.035 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.503 7.794 6.711 1.00 0.00 H new ATOM 820 N CYS A 53 -12.596 6.131 2.707 1.00 0.00 N ATOM 821 CA CYS A 53 -12.761 6.734 1.387 1.00 0.00 C ATOM 822 C CYS A 53 -12.707 5.687 0.261 1.00 0.00 C ATOM 823 O CYS A 53 -11.716 5.591 -0.475 1.00 0.00 O ATOM 824 CB CYS A 53 -11.696 7.814 1.178 1.00 0.00 C ATOM 825 SG CYS A 53 -10.031 7.357 1.747 1.00 0.00 S ATOM 0 H CYS A 53 -12.015 5.293 2.710 1.00 0.00 H new ATOM 0 HA CYS A 53 -13.751 7.189 1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -11.649 8.058 0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -12.008 8.719 1.699 1.00 0.00 H new ATOM 830 N GLY A 54 -13.788 4.908 0.130 1.00 0.00 N ATOM 831 CA GLY A 54 -13.864 3.890 -0.912 1.00 0.00 C ATOM 832 C GLY A 54 -15.184 3.144 -0.907 1.00 0.00 C ATOM 833 O GLY A 54 -15.204 1.909 -0.910 1.00 0.00 O ATOM 0 H GLY A 54 -14.612 4.966 0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.721 4.360 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.049 3.179 -0.779 1.00 0.00 H new ATOM 837 N GLY A 55 -16.288 3.901 -0.902 1.00 0.00 N ATOM 838 CA GLY A 55 -17.617 3.306 -0.901 1.00 0.00 C ATOM 839 C GLY A 55 -18.689 4.264 -0.417 1.00 0.00 C ATOM 840 O GLY A 55 -19.524 3.896 0.415 1.00 0.00 O ATOM 0 H GLY A 55 -16.281 4.921 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.862 2.973 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.613 2.421 -0.265 1.00 0.00 H new ATOM 844 N ALA A 56 -18.661 5.496 -0.939 1.00 0.00 N ATOM 845 CA ALA A 56 -19.631 6.524 -0.567 1.00 0.00 C ATOM 846 C ALA A 56 -20.582 6.826 -1.720 1.00 0.00 C ATOM 847 O ALA A 56 -20.106 6.914 -2.871 1.00 0.00 O ATOM 848 CB ALA A 56 -18.912 7.791 -0.128 1.00 0.00 C ATOM 849 OXT ALA A 56 -21.795 6.972 -1.461 1.00 0.00 O ATOM 0 H ALA A 56 -17.971 5.803 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 56 -20.223 6.146 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -19.646 8.549 0.146 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -18.279 7.571 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -18.296 8.162 -0.947 1.00 0.00 H new TER 855 ALA A 56