USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 399 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -73:sc= -2.72! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.7 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00201) USER MOD Single : A 32 TYR OH : rot 30:sc= -1.52 USER MOD Single : A 38 ASN : amide:sc= -4.87! C(o=-4.9!,f=-9.9!) USER MOD Single : A 40 ASN : amide:sc= -4.93! C(o=-4.9!,f=-9.9!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.064) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 7.388 11.092 3.017 1.00 0.00 N ATOM 23 CA ASP A 2 8.467 10.333 2.396 1.00 0.00 C ATOM 24 C ASP A 2 7.977 8.961 1.944 1.00 0.00 C ATOM 25 O ASP A 2 8.333 8.486 0.867 1.00 0.00 O ATOM 26 CB ASP A 2 9.639 10.175 3.369 1.00 0.00 C ATOM 27 CG ASP A 2 9.191 9.769 4.761 1.00 0.00 C ATOM 28 OD1 ASP A 2 7.990 9.473 4.938 1.00 0.00 O ATOM 29 OD2 ASP A 2 10.042 9.747 5.674 1.00 0.00 O ATOM 0 HA ASP A 2 8.806 10.885 1.520 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.330 9.427 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.187 11.115 3.428 1.00 0.00 H new ATOM 34 N THR A 3 7.156 8.329 2.778 1.00 0.00 N ATOM 35 CA THR A 3 6.613 7.009 2.470 1.00 0.00 C ATOM 36 C THR A 3 5.931 6.999 1.105 1.00 0.00 C ATOM 37 O THR A 3 6.046 6.035 0.349 1.00 0.00 O ATOM 38 CB THR A 3 5.619 6.582 3.551 1.00 0.00 C ATOM 39 OG1 THR A 3 6.228 6.601 4.829 1.00 0.00 O ATOM 40 CG2 THR A 3 5.055 5.195 3.332 1.00 0.00 C ATOM 0 H THR A 3 6.852 8.710 3.674 1.00 0.00 H new ATOM 0 HA THR A 3 7.442 6.302 2.443 1.00 0.00 H new ATOM 0 HB THR A 3 4.803 7.302 3.492 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.575 6.326 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.357 4.955 4.134 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.534 5.161 2.375 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.867 4.468 3.328 1.00 0.00 H new ATOM 48 N CYS A 4 5.220 8.080 0.798 1.00 0.00 N ATOM 49 CA CYS A 4 4.517 8.198 -0.474 1.00 0.00 C ATOM 50 C CYS A 4 5.486 8.129 -1.653 1.00 0.00 C ATOM 51 O CYS A 4 5.078 7.870 -2.786 1.00 0.00 O ATOM 52 CB CYS A 4 3.727 9.510 -0.522 1.00 0.00 C ATOM 53 SG CYS A 4 1.927 9.286 -0.687 1.00 0.00 S ATOM 0 H CYS A 4 5.116 8.887 1.413 1.00 0.00 H new ATOM 0 HA CYS A 4 3.826 7.359 -0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.930 10.078 0.386 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.087 10.108 -1.359 1.00 0.00 H new ATOM 58 N ARG A 5 6.768 8.364 -1.387 1.00 0.00 N ATOM 59 CA ARG A 5 7.782 8.328 -2.434 1.00 0.00 C ATOM 60 C ARG A 5 8.367 6.927 -2.585 1.00 0.00 C ATOM 61 O ARG A 5 8.659 6.485 -3.695 1.00 0.00 O ATOM 62 CB ARG A 5 8.897 9.329 -2.125 1.00 0.00 C ATOM 63 CG ARG A 5 8.422 10.773 -2.082 1.00 0.00 C ATOM 64 CD ARG A 5 9.524 11.711 -1.613 1.00 0.00 C ATOM 65 NE ARG A 5 9.109 12.509 -0.462 1.00 0.00 N ATOM 66 CZ ARG A 5 9.722 13.626 -0.074 1.00 0.00 C ATOM 67 NH1 ARG A 5 10.773 14.081 -0.743 1.00 0.00 N ATOM 68 NH2 ARG A 5 9.282 14.289 0.987 1.00 0.00 N ATOM 0 H ARG A 5 7.128 8.581 -0.457 1.00 0.00 H new ATOM 0 HA ARG A 5 7.305 8.602 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.347 9.074 -1.166 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.678 9.234 -2.879 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.084 11.075 -3.073 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.565 10.855 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.408 11.130 -1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.808 12.374 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 5 8.302 12.192 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.116 13.575 -1.559 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.238 14.937 -0.441 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.474 13.943 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.751 15.144 1.284 1.00 0.00 H new ATOM 82 N LEU A 6 8.533 6.232 -1.464 1.00 0.00 N ATOM 83 CA LEU A 6 9.081 4.880 -1.481 1.00 0.00 C ATOM 84 C LEU A 6 7.965 3.843 -1.608 1.00 0.00 C ATOM 85 O LEU A 6 7.191 3.639 -0.673 1.00 0.00 O ATOM 86 CB LEU A 6 9.896 4.615 -0.212 1.00 0.00 C ATOM 87 CG LEU A 6 9.262 5.122 1.087 1.00 0.00 C ATOM 88 CD1 LEU A 6 9.327 4.053 2.170 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.949 6.398 1.554 1.00 0.00 C ATOM 0 H LEU A 6 8.297 6.581 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 6 9.737 4.794 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.060 3.541 -0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.876 5.079 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 6 8.214 5.347 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.871 4.433 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.788 3.166 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.368 3.794 2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.485 6.744 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.006 6.198 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.848 7.167 0.788 1.00 0.00 H new ATOM 101 N PRO A 7 7.862 3.171 -2.771 1.00 0.00 N ATOM 102 CA PRO A 7 6.829 2.157 -3.005 1.00 0.00 C ATOM 103 C PRO A 7 7.033 0.912 -2.150 1.00 0.00 C ATOM 104 O PRO A 7 8.146 0.623 -1.709 1.00 0.00 O ATOM 105 CB PRO A 7 6.986 1.819 -4.489 1.00 0.00 C ATOM 106 CG PRO A 7 8.397 2.168 -4.812 1.00 0.00 C ATOM 107 CD PRO A 7 8.739 3.347 -3.945 1.00 0.00 C ATOM 0 HA PRO A 7 5.836 2.522 -2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.786 0.764 -4.678 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.287 2.390 -5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.063 1.329 -4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.506 2.415 -5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.792 3.348 -3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.545 4.291 -4.454 1.00 0.00 H new ATOM 115 N SER A 8 5.949 0.177 -1.919 1.00 0.00 N ATOM 116 CA SER A 8 6.003 -1.039 -1.116 1.00 0.00 C ATOM 117 C SER A 8 5.796 -2.275 -1.986 1.00 0.00 C ATOM 118 O SER A 8 5.085 -2.224 -2.990 1.00 0.00 O ATOM 119 CB SER A 8 4.936 -0.994 -0.022 1.00 0.00 C ATOM 120 OG SER A 8 5.355 -1.702 1.132 1.00 0.00 O ATOM 0 H SER A 8 5.021 0.403 -2.278 1.00 0.00 H new ATOM 0 HA SER A 8 6.990 -1.099 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.724 0.042 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.007 -1.423 -0.398 1.00 0.00 H new ATOM 0 HG SER A 8 5.322 -2.665 0.955 1.00 0.00 H new ATOM 126 N ASP A 9 6.413 -3.384 -1.593 1.00 0.00 N ATOM 127 CA ASP A 9 6.283 -4.630 -2.339 1.00 0.00 C ATOM 128 C ASP A 9 5.161 -5.485 -1.761 1.00 0.00 C ATOM 129 O ASP A 9 4.934 -5.489 -0.554 1.00 0.00 O ATOM 130 CB ASP A 9 7.602 -5.406 -2.315 1.00 0.00 C ATOM 131 CG ASP A 9 8.399 -5.233 -3.593 1.00 0.00 C ATOM 132 OD1 ASP A 9 7.998 -5.810 -4.624 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.423 -4.519 -3.561 1.00 0.00 O ATOM 0 H ASP A 9 7.006 -3.446 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 9 6.038 -4.387 -3.373 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.202 -5.072 -1.468 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.394 -6.465 -2.160 1.00 0.00 H new ATOM 138 N ARG A 10 4.458 -6.203 -2.627 1.00 0.00 N ATOM 139 CA ARG A 10 3.363 -7.057 -2.187 1.00 0.00 C ATOM 140 C ARG A 10 3.852 -8.469 -1.873 1.00 0.00 C ATOM 141 O ARG A 10 3.069 -9.332 -1.482 1.00 0.00 O ATOM 142 CB ARG A 10 2.270 -7.094 -3.253 1.00 0.00 C ATOM 143 CG ARG A 10 2.740 -7.636 -4.591 1.00 0.00 C ATOM 144 CD ARG A 10 1.623 -7.617 -5.620 1.00 0.00 C ATOM 145 NE ARG A 10 1.478 -8.903 -6.288 1.00 0.00 N ATOM 146 CZ ARG A 10 0.867 -9.071 -7.459 1.00 0.00 C ATOM 147 NH1 ARG A 10 0.338 -8.033 -8.095 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.787 -10.280 -7.996 1.00 0.00 N ATOM 0 H ARG A 10 4.625 -6.211 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 10 2.951 -6.638 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.444 -7.707 -2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.880 -6.086 -3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.579 -7.041 -4.952 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.103 -8.656 -4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.685 -7.353 -5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.825 -6.844 -6.361 1.00 0.00 H new ATOM 0 HE ARG A 10 1.869 -9.726 -5.830 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.398 -7.100 -7.687 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -0.129 -8.168 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.193 -11.081 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.319 -10.410 -8.893 1.00 0.00 H new ATOM 162 N GLY A 11 5.153 -8.699 -2.036 1.00 0.00 N ATOM 163 CA GLY A 11 5.712 -10.006 -1.754 1.00 0.00 C ATOM 164 C GLY A 11 5.006 -11.125 -2.492 1.00 0.00 C ATOM 165 O GLY A 11 3.928 -11.562 -2.089 1.00 0.00 O ATOM 0 H GLY A 11 5.827 -8.004 -2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.768 -10.009 -2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.657 -10.195 -0.682 1.00 0.00 H new ATOM 169 N ARG A 12 5.621 -11.605 -3.569 1.00 0.00 N ATOM 170 CA ARG A 12 5.047 -12.693 -4.351 1.00 0.00 C ATOM 171 C ARG A 12 5.092 -14.007 -3.570 1.00 0.00 C ATOM 172 O ARG A 12 4.487 -15.000 -3.976 1.00 0.00 O ATOM 173 CB ARG A 12 5.794 -12.847 -5.678 1.00 0.00 C ATOM 174 CG ARG A 12 4.958 -13.491 -6.772 1.00 0.00 C ATOM 175 CD ARG A 12 5.248 -12.878 -8.133 1.00 0.00 C ATOM 176 NE ARG A 12 6.657 -13.001 -8.503 1.00 0.00 N ATOM 177 CZ ARG A 12 7.556 -12.028 -8.360 1.00 0.00 C ATOM 178 NH1 ARG A 12 7.207 -10.852 -7.850 1.00 0.00 N ATOM 179 NH2 ARG A 12 8.813 -12.232 -8.729 1.00 0.00 N ATOM 0 H ARG A 12 6.514 -11.258 -3.919 1.00 0.00 H new ATOM 0 HA ARG A 12 4.005 -12.449 -4.557 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.126 -11.865 -6.015 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.689 -13.447 -5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.162 -14.561 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.900 -13.375 -6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.632 -13.365 -8.888 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.967 -11.825 -8.123 1.00 0.00 H new ATOM 0 HE ARG A 12 6.972 -13.888 -8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.242 -10.687 -7.563 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.904 -10.115 -7.745 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.090 -13.132 -9.121 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.503 -11.489 -8.621 1.00 0.00 H new ATOM 193 N CYS A 13 5.819 -14.002 -2.448 1.00 0.00 N ATOM 194 CA CYS A 13 5.959 -15.186 -1.598 1.00 0.00 C ATOM 195 C CYS A 13 4.650 -15.977 -1.501 1.00 0.00 C ATOM 196 O CYS A 13 4.459 -16.960 -2.218 1.00 0.00 O ATOM 197 CB CYS A 13 6.440 -14.789 -0.192 1.00 0.00 C ATOM 198 SG CYS A 13 5.940 -13.118 0.353 1.00 0.00 S ATOM 0 H CYS A 13 6.323 -13.183 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 13 6.705 -15.831 -2.063 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.060 -15.517 0.525 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.528 -14.853 -0.165 1.00 0.00 H new ATOM 203 N LYS A 14 3.755 -15.549 -0.614 1.00 0.00 N ATOM 204 CA LYS A 14 2.474 -16.228 -0.434 1.00 0.00 C ATOM 205 C LYS A 14 1.322 -15.374 -0.956 1.00 0.00 C ATOM 206 O LYS A 14 0.318 -15.183 -0.268 1.00 0.00 O ATOM 207 CB LYS A 14 2.255 -16.560 1.043 1.00 0.00 C ATOM 208 CG LYS A 14 2.923 -17.853 1.481 1.00 0.00 C ATOM 209 CD LYS A 14 2.317 -19.058 0.780 1.00 0.00 C ATOM 210 CE LYS A 14 2.651 -20.351 1.505 1.00 0.00 C ATOM 211 NZ LYS A 14 1.697 -20.628 2.614 1.00 0.00 N ATOM 0 H LYS A 14 3.892 -14.738 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 14 2.498 -17.154 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.636 -15.740 1.652 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.185 -16.630 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.990 -17.804 1.265 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.821 -17.969 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.235 -18.941 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.687 -19.108 -0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.634 -21.179 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.664 -20.293 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.959 -21.518 3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.731 -19.850 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.734 -20.709 2.231 1.00 0.00 H new ATOM 225 N ALA A 15 1.471 -14.863 -2.175 1.00 0.00 N ATOM 226 CA ALA A 15 0.443 -14.029 -2.792 1.00 0.00 C ATOM 227 C ALA A 15 -0.934 -14.680 -2.695 1.00 0.00 C ATOM 228 O ALA A 15 -1.254 -15.595 -3.455 1.00 0.00 O ATOM 229 CB ALA A 15 0.798 -13.750 -4.244 1.00 0.00 C ATOM 0 H ALA A 15 2.296 -15.012 -2.757 1.00 0.00 H new ATOM 0 HA ALA A 15 0.402 -13.085 -2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.025 -13.127 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.755 -13.231 -4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.869 -14.692 -4.789 1.00 0.00 H new ATOM 235 N SER A 16 -1.746 -14.200 -1.758 1.00 0.00 N ATOM 236 CA SER A 16 -3.090 -14.734 -1.563 1.00 0.00 C ATOM 237 C SER A 16 -4.005 -13.695 -0.918 1.00 0.00 C ATOM 238 O SER A 16 -4.986 -14.043 -0.259 1.00 0.00 O ATOM 239 CB SER A 16 -3.038 -15.997 -0.699 1.00 0.00 C ATOM 240 OG SER A 16 -3.721 -17.070 -1.324 1.00 0.00 O ATOM 0 H SER A 16 -1.497 -13.442 -1.122 1.00 0.00 H new ATOM 0 HA SER A 16 -3.498 -14.988 -2.541 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.000 -16.277 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.485 -15.795 0.274 1.00 0.00 H new ATOM 0 HG SER A 16 -3.672 -17.865 -0.754 1.00 0.00 H new ATOM 246 N PHE A 17 -3.678 -12.421 -1.110 1.00 0.00 N ATOM 247 CA PHE A 17 -4.471 -11.332 -0.548 1.00 0.00 C ATOM 248 C PHE A 17 -4.268 -10.050 -1.348 1.00 0.00 C ATOM 249 O PHE A 17 -3.354 -9.958 -2.163 1.00 0.00 O ATOM 250 CB PHE A 17 -4.092 -11.092 0.917 1.00 0.00 C ATOM 251 CG PHE A 17 -3.998 -12.352 1.730 1.00 0.00 C ATOM 252 CD1 PHE A 17 -2.817 -13.075 1.775 1.00 0.00 C ATOM 253 CD2 PHE A 17 -5.091 -12.813 2.447 1.00 0.00 C ATOM 254 CE1 PHE A 17 -2.727 -14.234 2.522 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.006 -13.972 3.195 1.00 0.00 C ATOM 256 CZ PHE A 17 -3.822 -14.683 3.233 1.00 0.00 C ATOM 0 H PHE A 17 -2.869 -12.117 -1.651 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.522 -11.618 -0.601 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.134 -10.573 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.831 -10.431 1.371 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.957 -12.729 1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.019 -12.261 2.421 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.801 -14.788 2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.864 -14.322 3.749 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.753 -15.588 3.818 1.00 0.00 H new ATOM 266 N GLU A 18 -5.122 -9.062 -1.103 1.00 0.00 N ATOM 267 CA GLU A 18 -5.028 -7.783 -1.797 1.00 0.00 C ATOM 268 C GLU A 18 -4.835 -6.650 -0.796 1.00 0.00 C ATOM 269 O GLU A 18 -5.633 -6.484 0.126 1.00 0.00 O ATOM 270 CB GLU A 18 -6.282 -7.537 -2.637 1.00 0.00 C ATOM 271 CG GLU A 18 -6.493 -8.571 -3.731 1.00 0.00 C ATOM 272 CD GLU A 18 -6.868 -7.947 -5.060 1.00 0.00 C ATOM 273 OE1 GLU A 18 -6.198 -6.976 -5.471 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.833 -8.428 -5.691 1.00 0.00 O ATOM 0 H GLU A 18 -5.886 -9.122 -0.430 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.165 -7.814 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.153 -7.531 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.217 -6.548 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.581 -9.156 -3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.277 -9.263 -3.425 1.00 0.00 H new ATOM 281 N ARG A 19 -3.767 -5.877 -0.977 1.00 0.00 N ATOM 282 CA ARG A 19 -3.469 -4.769 -0.073 1.00 0.00 C ATOM 283 C ARG A 19 -3.483 -3.430 -0.805 1.00 0.00 C ATOM 284 O ARG A 19 -3.553 -3.379 -2.033 1.00 0.00 O ATOM 285 CB ARG A 19 -2.104 -4.985 0.589 1.00 0.00 C ATOM 286 CG ARG A 19 -2.176 -5.598 1.983 1.00 0.00 C ATOM 287 CD ARG A 19 -3.145 -6.769 2.045 1.00 0.00 C ATOM 288 NE ARG A 19 -3.372 -7.221 3.417 1.00 0.00 N ATOM 289 CZ ARG A 19 -2.578 -8.074 4.060 1.00 0.00 C ATOM 290 NH1 ARG A 19 -1.503 -8.571 3.464 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.861 -8.431 5.306 1.00 0.00 N ATOM 0 H ARG A 19 -3.097 -5.996 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.246 -4.744 0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.501 -5.631 -0.049 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.587 -4.027 0.652 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.183 -5.934 2.282 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.484 -4.835 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.095 -6.477 1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.754 -7.595 1.451 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.188 -6.861 3.911 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.280 -8.300 2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.899 -9.224 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.686 -8.052 5.770 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.253 -9.085 5.800 1.00 0.00 H new ATOM 305 N TRP A 20 -3.410 -2.349 -0.034 1.00 0.00 N ATOM 306 CA TRP A 20 -3.410 -1.002 -0.593 1.00 0.00 C ATOM 307 C TRP A 20 -2.078 -0.308 -0.321 1.00 0.00 C ATOM 308 O TRP A 20 -1.443 -0.541 0.707 1.00 0.00 O ATOM 309 CB TRP A 20 -4.559 -0.182 -0.004 1.00 0.00 C ATOM 310 CG TRP A 20 -5.911 -0.720 -0.355 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.652 -1.611 0.368 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.687 -0.406 -1.517 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.837 -1.869 -0.272 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.883 -1.142 -1.431 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.486 0.427 -2.622 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.873 -1.071 -2.405 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.472 0.496 -3.589 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.652 -0.248 -3.475 1.00 0.00 C ATOM 0 H TRP A 20 -3.350 -2.381 0.984 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.548 -1.079 -1.671 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.457 -0.154 1.081 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.481 0.846 -0.358 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.349 -2.049 1.307 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.566 -2.500 0.061 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.579 1.005 -2.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.784 -1.645 -2.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.329 1.135 -4.448 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.403 -0.171 -4.247 1.00 0.00 H new ATOM 329 N TYR A 21 -1.656 0.532 -1.258 1.00 0.00 N ATOM 330 CA TYR A 21 -0.392 1.252 -1.134 1.00 0.00 C ATOM 331 C TYR A 21 -0.507 2.643 -1.750 1.00 0.00 C ATOM 332 O TYR A 21 -1.365 2.882 -2.600 1.00 0.00 O ATOM 333 CB TYR A 21 0.732 0.466 -1.824 1.00 0.00 C ATOM 334 CG TYR A 21 0.288 -0.199 -3.107 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.650 -1.222 -3.087 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.782 0.213 -4.338 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.089 -1.809 -4.251 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.355 -0.379 -5.511 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.586 -1.387 -5.462 1.00 0.00 C ATOM 340 OH TYR A 21 -1.043 -1.957 -6.628 1.00 0.00 O ATOM 0 H TYR A 21 -2.171 0.733 -2.115 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.156 1.357 -0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.560 1.141 -2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.109 -0.294 -1.140 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.042 -1.563 -2.140 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.511 1.009 -4.379 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.826 -2.598 -4.216 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.755 -0.055 -6.460 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.588 -1.547 -7.393 1.00 0.00 H new ATOM 350 N PHE A 22 0.359 3.555 -1.324 1.00 0.00 N ATOM 351 CA PHE A 22 0.341 4.917 -1.849 1.00 0.00 C ATOM 352 C PHE A 22 0.934 4.961 -3.253 1.00 0.00 C ATOM 353 O PHE A 22 1.814 4.170 -3.593 1.00 0.00 O ATOM 354 CB PHE A 22 1.124 5.867 -0.935 1.00 0.00 C ATOM 355 CG PHE A 22 0.846 5.680 0.530 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.528 4.719 1.262 1.00 0.00 C ATOM 357 CD2 PHE A 22 -0.088 6.471 1.177 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.281 4.551 2.611 1.00 0.00 C ATOM 359 CE2 PHE A 22 -0.340 6.307 2.527 1.00 0.00 C ATOM 360 CZ PHE A 22 0.345 5.346 3.244 1.00 0.00 C ATOM 0 H PHE A 22 1.078 3.379 -0.622 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.699 5.241 -1.889 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.190 5.727 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.888 6.895 -1.210 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.261 4.095 0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.626 7.225 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.819 3.799 3.170 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.072 6.930 3.020 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.149 5.216 4.298 1.00 0.00 H new ATOM 370 N ASN A 23 0.445 5.892 -4.066 1.00 0.00 N ATOM 371 CA ASN A 23 0.928 6.043 -5.434 1.00 0.00 C ATOM 372 C ASN A 23 1.124 7.516 -5.779 1.00 0.00 C ATOM 373 O ASN A 23 0.462 8.051 -6.670 1.00 0.00 O ATOM 374 CB ASN A 23 -0.053 5.399 -6.416 1.00 0.00 C ATOM 375 CG ASN A 23 0.568 5.156 -7.778 1.00 0.00 C ATOM 376 OD1 ASN A 23 1.498 4.362 -7.916 1.00 0.00 O ATOM 377 ND2 ASN A 23 0.054 5.841 -8.794 1.00 0.00 N ATOM 0 H ASN A 23 -0.285 6.553 -3.801 1.00 0.00 H new ATOM 0 HA ASN A 23 1.891 5.539 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.404 4.452 -6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.926 6.042 -6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.431 5.719 -9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.717 6.489 -8.634 1.00 0.00 H new ATOM 384 N GLY A 24 2.037 8.169 -5.068 1.00 0.00 N ATOM 385 CA GLY A 24 2.302 9.575 -5.311 1.00 0.00 C ATOM 386 C GLY A 24 1.210 10.470 -4.761 1.00 0.00 C ATOM 387 O GLY A 24 1.455 11.286 -3.873 1.00 0.00 O ATOM 0 H GLY A 24 2.599 7.749 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.255 9.847 -4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.401 9.744 -6.383 1.00 0.00 H new ATOM 391 N ARG A 25 0.000 10.316 -5.290 1.00 0.00 N ATOM 392 CA ARG A 25 -1.137 11.115 -4.846 1.00 0.00 C ATOM 393 C ARG A 25 -2.333 10.225 -4.512 1.00 0.00 C ATOM 394 O ARG A 25 -3.042 10.466 -3.535 1.00 0.00 O ATOM 395 CB ARG A 25 -1.527 12.133 -5.919 1.00 0.00 C ATOM 396 CG ARG A 25 -1.513 11.571 -7.333 1.00 0.00 C ATOM 397 CD ARG A 25 -0.408 12.194 -8.171 1.00 0.00 C ATOM 398 NE ARG A 25 -0.286 11.553 -9.479 1.00 0.00 N ATOM 399 CZ ARG A 25 0.784 11.666 -10.262 1.00 0.00 C ATOM 400 NH1 ARG A 25 1.825 12.394 -9.878 1.00 0.00 N ATOM 401 NH2 ARG A 25 0.814 11.048 -11.436 1.00 0.00 N ATOM 0 H ARG A 25 -0.218 9.645 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.840 11.648 -3.943 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.524 12.514 -5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.843 12.980 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.376 10.490 -7.294 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.477 11.753 -7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.610 13.257 -8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.540 12.115 -7.638 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.066 10.986 -9.811 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.809 12.872 -8.977 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.641 12.476 -10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.017 10.487 -11.738 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.634 11.134 -12.037 1.00 0.00 H new ATOM 415 N THR A 26 -2.550 9.197 -5.327 1.00 0.00 N ATOM 416 CA THR A 26 -3.660 8.275 -5.114 1.00 0.00 C ATOM 417 C THR A 26 -3.155 6.916 -4.635 1.00 0.00 C ATOM 418 O THR A 26 -1.954 6.650 -4.648 1.00 0.00 O ATOM 419 CB THR A 26 -4.466 8.106 -6.403 1.00 0.00 C ATOM 420 OG1 THR A 26 -4.483 9.311 -7.145 1.00 0.00 O ATOM 421 CG2 THR A 26 -5.903 7.694 -6.162 1.00 0.00 C ATOM 0 H THR A 26 -1.973 8.982 -6.140 1.00 0.00 H new ATOM 0 HA THR A 26 -4.305 8.696 -4.343 1.00 0.00 H new ATOM 0 HB THR A 26 -3.965 7.310 -6.954 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.002 9.182 -7.966 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.417 7.592 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.925 6.740 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.403 8.453 -5.560 1.00 0.00 H new ATOM 429 N CYS A 27 -4.082 6.063 -4.211 1.00 0.00 N ATOM 430 CA CYS A 27 -3.737 4.733 -3.725 1.00 0.00 C ATOM 431 C CYS A 27 -3.732 3.716 -4.864 1.00 0.00 C ATOM 432 O CYS A 27 -4.101 4.031 -5.994 1.00 0.00 O ATOM 433 CB CYS A 27 -4.720 4.297 -2.637 1.00 0.00 C ATOM 434 SG CYS A 27 -3.985 3.226 -1.358 1.00 0.00 S ATOM 0 H CYS A 27 -5.081 6.271 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.733 4.777 -3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.134 5.185 -2.159 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.552 3.769 -3.104 1.00 0.00 H new ATOM 439 N ALA A 28 -3.302 2.497 -4.553 1.00 0.00 N ATOM 440 CA ALA A 28 -3.234 1.426 -5.540 1.00 0.00 C ATOM 441 C ALA A 28 -3.613 0.082 -4.916 1.00 0.00 C ATOM 442 O ALA A 28 -3.881 0.002 -3.718 1.00 0.00 O ATOM 443 CB ALA A 28 -1.852 1.374 -6.164 1.00 0.00 C ATOM 0 H ALA A 28 -2.994 2.226 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.956 1.635 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.815 0.570 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.638 2.324 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.109 1.191 -5.388 1.00 0.00 H new ATOM 449 N LYS A 29 -3.653 -0.971 -5.734 1.00 0.00 N ATOM 450 CA LYS A 29 -4.025 -2.299 -5.248 1.00 0.00 C ATOM 451 C LYS A 29 -3.228 -3.391 -5.954 1.00 0.00 C ATOM 452 O LYS A 29 -2.986 -3.321 -7.158 1.00 0.00 O ATOM 453 CB LYS A 29 -5.522 -2.537 -5.449 1.00 0.00 C ATOM 454 CG LYS A 29 -5.959 -2.476 -6.904 1.00 0.00 C ATOM 455 CD LYS A 29 -7.076 -3.467 -7.192 1.00 0.00 C ATOM 456 CE LYS A 29 -8.163 -2.845 -8.054 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.665 -2.501 -9.415 1.00 0.00 N ATOM 0 H LYS A 29 -3.434 -0.930 -6.729 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.793 -2.341 -4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.784 -3.513 -5.040 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.079 -1.793 -4.880 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.296 -1.467 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.107 -2.688 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.666 -4.342 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.508 -3.813 -6.253 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.000 -3.538 -8.138 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.541 -1.946 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.441 -2.095 -9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.894 -1.807 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.312 -3.360 -9.883 1.00 0.00 H new ATOM 471 N PHE A 30 -2.816 -4.396 -5.187 1.00 0.00 N ATOM 472 CA PHE A 30 -2.036 -5.502 -5.726 1.00 0.00 C ATOM 473 C PHE A 30 -2.191 -6.757 -4.868 1.00 0.00 C ATOM 474 O PHE A 30 -2.865 -6.731 -3.840 1.00 0.00 O ATOM 475 CB PHE A 30 -0.561 -5.102 -5.852 1.00 0.00 C ATOM 476 CG PHE A 30 0.067 -4.560 -4.590 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.588 -4.623 -3.366 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.326 -3.983 -4.636 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.002 -4.123 -2.221 1.00 0.00 C ATOM 480 CE2 PHE A 30 1.919 -3.481 -3.493 1.00 0.00 C ATOM 481 CZ PHE A 30 1.257 -3.551 -2.284 1.00 0.00 C ATOM 0 H PHE A 30 -3.011 -4.466 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.417 -5.735 -6.721 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.009 -5.972 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.470 -4.350 -6.636 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.570 -5.068 -3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.851 -3.925 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.519 -4.180 -1.276 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.901 -3.034 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.719 -3.160 -1.390 1.00 0.00 H new ATOM 491 N ILE A 31 -1.584 -7.860 -5.303 1.00 0.00 N ATOM 492 CA ILE A 31 -1.685 -9.115 -4.569 1.00 0.00 C ATOM 493 C ILE A 31 -0.576 -9.237 -3.530 1.00 0.00 C ATOM 494 O ILE A 31 0.588 -9.446 -3.870 1.00 0.00 O ATOM 495 CB ILE A 31 -1.620 -10.323 -5.523 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.697 -10.206 -6.603 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.778 -11.626 -4.750 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.100 -10.096 -6.049 1.00 0.00 C ATOM 0 H ILE A 31 -1.022 -7.908 -6.153 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.650 -9.112 -4.062 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.643 -10.329 -6.006 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.489 -9.331 -7.219 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.641 -11.076 -7.257 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.729 -12.467 -5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.977 -11.713 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.741 -11.631 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.811 -10.016 -6.872 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.328 -10.982 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.174 -9.210 -5.419 1.00 0.00 H new ATOM 510 N TYR A 32 -0.952 -9.107 -2.262 1.00 0.00 N ATOM 511 CA TYR A 32 0.003 -9.197 -1.164 1.00 0.00 C ATOM 512 C TYR A 32 0.146 -10.634 -0.678 1.00 0.00 C ATOM 513 O TYR A 32 -0.840 -11.293 -0.349 1.00 0.00 O ATOM 514 CB TYR A 32 -0.435 -8.299 -0.008 1.00 0.00 C ATOM 515 CG TYR A 32 0.705 -7.865 0.888 1.00 0.00 C ATOM 516 CD1 TYR A 32 1.094 -8.641 1.971 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.390 -6.680 0.648 1.00 0.00 C ATOM 518 CE1 TYR A 32 2.134 -8.248 2.793 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.431 -6.281 1.465 1.00 0.00 C ATOM 520 CZ TYR A 32 2.799 -7.069 2.536 1.00 0.00 C ATOM 521 OH TYR A 32 3.834 -6.674 3.352 1.00 0.00 O ATOM 0 H TYR A 32 -1.914 -8.938 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 32 0.972 -8.861 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.925 -7.414 -0.412 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.176 -8.828 0.591 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.576 -9.567 2.175 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.105 -6.061 -0.190 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.424 -8.862 3.633 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.954 -5.357 1.266 1.00 0.00 H new ATOM 0 HH TYR A 32 4.279 -7.465 3.722 1.00 0.00 H new ATOM 531 N GLY A 33 1.384 -11.110 -0.639 1.00 0.00 N ATOM 532 CA GLY A 33 1.645 -12.465 -0.195 1.00 0.00 C ATOM 533 C GLY A 33 2.154 -12.523 1.232 1.00 0.00 C ATOM 534 O GLY A 33 1.986 -13.533 1.916 1.00 0.00 O ATOM 0 H GLY A 33 2.213 -10.580 -0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.730 -13.052 -0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.378 -12.926 -0.857 1.00 0.00 H new ATOM 538 N GLY A 34 2.778 -11.440 1.685 1.00 0.00 N ATOM 539 CA GLY A 34 3.300 -11.402 3.039 1.00 0.00 C ATOM 540 C GLY A 34 4.674 -10.761 3.132 1.00 0.00 C ATOM 541 O GLY A 34 5.183 -10.540 4.231 1.00 0.00 O ATOM 0 H GLY A 34 2.931 -10.591 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.606 -10.852 3.674 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.353 -12.418 3.430 1.00 0.00 H new ATOM 545 N CYS A 35 5.281 -10.462 1.986 1.00 0.00 N ATOM 546 CA CYS A 35 6.602 -9.844 1.969 1.00 0.00 C ATOM 547 C CYS A 35 6.519 -8.400 1.481 1.00 0.00 C ATOM 548 O CYS A 35 6.466 -8.141 0.277 1.00 0.00 O ATOM 549 CB CYS A 35 7.563 -10.650 1.090 1.00 0.00 C ATOM 550 SG CYS A 35 7.539 -12.446 1.410 1.00 0.00 S ATOM 0 H CYS A 35 4.882 -10.637 1.064 1.00 0.00 H new ATOM 0 HA CYS A 35 6.987 -9.839 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.314 -10.475 0.043 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.576 -10.278 1.243 1.00 0.00 H new ATOM 555 N GLY A 36 6.504 -7.463 2.427 1.00 0.00 N ATOM 556 CA GLY A 36 6.423 -6.056 2.080 1.00 0.00 C ATOM 557 C GLY A 36 7.774 -5.373 2.101 1.00 0.00 C ATOM 558 O GLY A 36 8.264 -4.917 1.065 1.00 0.00 O ATOM 0 H GLY A 36 6.547 -7.655 3.428 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.984 -5.955 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.754 -5.551 2.777 1.00 0.00 H new ATOM 562 N GLY A 37 8.376 -5.304 3.283 1.00 0.00 N ATOM 563 CA GLY A 37 9.676 -4.675 3.421 1.00 0.00 C ATOM 564 C GLY A 37 9.633 -3.180 3.180 1.00 0.00 C ATOM 565 O GLY A 37 10.539 -2.620 2.563 1.00 0.00 O ATOM 0 H GLY A 37 7.986 -5.673 4.150 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.063 -4.866 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.372 -5.132 2.718 1.00 0.00 H new ATOM 569 N ASN A 38 8.581 -2.528 3.666 1.00 0.00 N ATOM 570 CA ASN A 38 8.438 -1.089 3.495 1.00 0.00 C ATOM 571 C ASN A 38 7.294 -0.541 4.341 1.00 0.00 C ATOM 572 O ASN A 38 6.580 -1.290 5.009 1.00 0.00 O ATOM 573 CB ASN A 38 8.206 -0.751 2.022 1.00 0.00 C ATOM 574 CG ASN A 38 8.825 0.576 1.628 1.00 0.00 C ATOM 575 OD1 ASN A 38 8.122 1.562 1.411 1.00 0.00 O ATOM 576 ND2 ASN A 38 10.149 0.605 1.532 1.00 0.00 N ATOM 0 H ASN A 38 7.819 -2.972 4.179 1.00 0.00 H new ATOM 0 HA ASN A 38 9.363 -0.620 3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.624 -1.543 1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.135 -0.722 1.823 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.622 1.469 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.693 -0.237 1.721 1.00 0.00 H new ATOM 583 N GLY A 39 7.133 0.775 4.301 1.00 0.00 N ATOM 584 CA GLY A 39 6.084 1.433 5.057 1.00 0.00 C ATOM 585 C GLY A 39 4.990 1.998 4.168 1.00 0.00 C ATOM 586 O GLY A 39 4.056 2.636 4.654 1.00 0.00 O ATOM 0 H GLY A 39 7.717 1.405 3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.646 0.723 5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.518 2.239 5.649 1.00 0.00 H new ATOM 590 N ASN A 40 5.119 1.788 2.860 1.00 0.00 N ATOM 591 CA ASN A 40 4.149 2.306 1.901 1.00 0.00 C ATOM 592 C ASN A 40 2.996 1.324 1.668 1.00 0.00 C ATOM 593 O ASN A 40 2.016 1.661 0.999 1.00 0.00 O ATOM 594 CB ASN A 40 4.865 2.626 0.580 1.00 0.00 C ATOM 595 CG ASN A 40 3.916 2.790 -0.593 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.346 1.817 -1.082 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.752 4.023 -1.054 1.00 0.00 N ATOM 0 H ASN A 40 5.886 1.263 2.441 1.00 0.00 H new ATOM 0 HA ASN A 40 3.712 3.216 2.311 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.444 3.542 0.701 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.574 1.828 0.356 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.132 4.193 -1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 40 4.246 4.801 -0.617 1.00 0.00 H new ATOM 604 N LYS A 41 3.101 0.118 2.229 1.00 0.00 N ATOM 605 CA LYS A 41 2.048 -0.883 2.079 1.00 0.00 C ATOM 606 C LYS A 41 1.036 -0.781 3.218 1.00 0.00 C ATOM 607 O LYS A 41 1.356 -0.294 4.302 1.00 0.00 O ATOM 608 CB LYS A 41 2.643 -2.293 2.043 1.00 0.00 C ATOM 609 CG LYS A 41 3.479 -2.636 3.266 1.00 0.00 C ATOM 610 CD LYS A 41 2.754 -3.608 4.183 1.00 0.00 C ATOM 611 CE LYS A 41 3.669 -4.129 5.280 1.00 0.00 C ATOM 612 NZ LYS A 41 2.990 -4.154 6.606 1.00 0.00 N ATOM 0 H LYS A 41 3.899 -0.186 2.787 1.00 0.00 H new ATOM 0 HA LYS A 41 1.537 -0.690 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.833 -3.017 1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.262 -2.394 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.427 -3.071 2.949 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.714 -1.724 3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.893 -3.113 4.631 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.372 -4.445 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.005 -5.134 5.025 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.558 -3.501 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.648 -4.515 7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.692 -3.191 6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.156 -4.773 6.557 1.00 0.00 H new ATOM 626 N PHE A 42 -0.185 -1.250 2.968 1.00 0.00 N ATOM 627 CA PHE A 42 -1.240 -1.214 3.977 1.00 0.00 C ATOM 628 C PHE A 42 -2.358 -2.200 3.636 1.00 0.00 C ATOM 629 O PHE A 42 -2.494 -2.623 2.488 1.00 0.00 O ATOM 630 CB PHE A 42 -1.806 0.202 4.110 1.00 0.00 C ATOM 631 CG PHE A 42 -1.179 0.998 5.222 1.00 0.00 C ATOM 632 CD1 PHE A 42 -0.957 0.425 6.464 1.00 0.00 C ATOM 633 CD2 PHE A 42 -0.813 2.321 5.024 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.381 1.154 7.488 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.238 3.054 6.045 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.021 2.470 7.278 1.00 0.00 C ATOM 0 H PHE A 42 -0.467 -1.659 2.077 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.803 -1.509 4.931 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -1.662 0.732 3.169 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.881 0.140 4.280 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.237 -0.604 6.634 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.979 2.783 4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.213 0.694 8.451 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.042 4.084 5.879 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.429 3.042 8.076 1.00 0.00 H new ATOM 646 N PRO A 43 -3.168 -2.589 4.639 1.00 0.00 N ATOM 647 CA PRO A 43 -4.268 -3.540 4.449 1.00 0.00 C ATOM 648 C PRO A 43 -5.510 -2.909 3.826 1.00 0.00 C ATOM 649 O PRO A 43 -6.139 -3.502 2.949 1.00 0.00 O ATOM 650 CB PRO A 43 -4.567 -4.001 5.874 1.00 0.00 C ATOM 651 CG PRO A 43 -4.218 -2.828 6.724 1.00 0.00 C ATOM 652 CD PRO A 43 -3.064 -2.142 6.042 1.00 0.00 C ATOM 0 HA PRO A 43 -3.995 -4.340 3.761 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -5.615 -4.278 5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.974 -4.876 6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.068 -2.153 6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.943 -3.145 7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.139 -1.058 6.123 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.110 -2.430 6.484 1.00 0.00 H new ATOM 660 N THR A 44 -5.870 -1.714 4.287 1.00 0.00 N ATOM 661 CA THR A 44 -7.048 -1.025 3.773 1.00 0.00 C ATOM 662 C THR A 44 -6.675 0.299 3.112 1.00 0.00 C ATOM 663 O THR A 44 -5.670 0.921 3.457 1.00 0.00 O ATOM 664 CB THR A 44 -8.050 -0.778 4.902 1.00 0.00 C ATOM 665 OG1 THR A 44 -7.383 -0.641 6.144 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.070 -1.885 5.049 1.00 0.00 C ATOM 0 H THR A 44 -5.365 -1.205 5.012 1.00 0.00 H new ATOM 0 HA THR A 44 -7.504 -1.665 3.018 1.00 0.00 H new ATOM 0 HB THR A 44 -8.570 0.140 4.630 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.041 -0.482 6.853 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.750 -1.647 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 44 -9.637 -1.983 4.123 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.560 -2.824 5.263 1.00 0.00 H new ATOM 674 N GLN A 45 -7.500 0.724 2.160 1.00 0.00 N ATOM 675 CA GLN A 45 -7.270 1.974 1.447 1.00 0.00 C ATOM 676 C GLN A 45 -7.549 3.174 2.347 1.00 0.00 C ATOM 677 O GLN A 45 -7.032 4.267 2.117 1.00 0.00 O ATOM 678 CB GLN A 45 -8.156 2.044 0.202 1.00 0.00 C ATOM 679 CG GLN A 45 -7.650 3.017 -0.850 1.00 0.00 C ATOM 680 CD GLN A 45 -8.721 3.409 -1.849 1.00 0.00 C ATOM 681 OE1 GLN A 45 -8.820 4.569 -2.248 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.533 2.439 -2.257 1.00 0.00 N ATOM 0 H GLN A 45 -8.336 0.219 1.865 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.223 2.003 1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.228 1.050 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.164 2.335 0.499 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.272 3.913 -0.358 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.811 2.567 -1.381 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.415 1.491 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.274 2.643 -2.927 1.00 0.00 H new ATOM 691 N GLU A 46 -8.370 2.965 3.371 1.00 0.00 N ATOM 692 CA GLU A 46 -8.717 4.033 4.302 1.00 0.00 C ATOM 693 C GLU A 46 -7.476 4.553 5.018 1.00 0.00 C ATOM 694 O GLU A 46 -7.404 5.725 5.388 1.00 0.00 O ATOM 695 CB GLU A 46 -9.743 3.535 5.323 1.00 0.00 C ATOM 696 CG GLU A 46 -10.941 4.457 5.480 1.00 0.00 C ATOM 697 CD GLU A 46 -11.855 4.436 4.270 1.00 0.00 C ATOM 698 OE1 GLU A 46 -11.341 4.307 3.140 1.00 0.00 O ATOM 699 OE2 GLU A 46 -13.085 4.550 4.454 1.00 0.00 O ATOM 0 H GLU A 46 -8.807 2.067 3.577 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.154 4.853 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.092 2.547 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.254 3.420 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.507 4.164 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.591 5.475 5.649 1.00 0.00 H new ATOM 706 N ALA A 47 -6.499 3.672 5.210 1.00 0.00 N ATOM 707 CA ALA A 47 -5.259 4.042 5.881 1.00 0.00 C ATOM 708 C ALA A 47 -4.320 4.778 4.933 1.00 0.00 C ATOM 709 O ALA A 47 -3.714 5.783 5.301 1.00 0.00 O ATOM 710 CB ALA A 47 -4.579 2.806 6.449 1.00 0.00 C ATOM 0 H ALA A 47 -6.543 2.698 4.910 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.505 4.717 6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.654 3.096 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.242 2.323 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.353 2.111 5.640 1.00 0.00 H new ATOM 716 N CYS A 48 -4.202 4.269 3.710 1.00 0.00 N ATOM 717 CA CYS A 48 -3.330 4.881 2.711 1.00 0.00 C ATOM 718 C CYS A 48 -3.842 6.262 2.306 1.00 0.00 C ATOM 719 O CYS A 48 -3.060 7.191 2.108 1.00 0.00 O ATOM 720 CB CYS A 48 -3.216 3.978 1.477 1.00 0.00 C ATOM 721 SG CYS A 48 -4.677 3.999 0.386 1.00 0.00 S ATOM 0 H CYS A 48 -4.697 3.438 3.387 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.342 5.001 3.155 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.343 4.282 0.900 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.039 2.954 1.807 1.00 0.00 H new ATOM 726 N MET A 49 -5.157 6.386 2.180 1.00 0.00 N ATOM 727 CA MET A 49 -5.771 7.651 1.793 1.00 0.00 C ATOM 728 C MET A 49 -5.684 8.673 2.922 1.00 0.00 C ATOM 729 O MET A 49 -5.408 9.848 2.688 1.00 0.00 O ATOM 730 CB MET A 49 -7.234 7.429 1.401 1.00 0.00 C ATOM 731 CG MET A 49 -7.785 8.499 0.473 1.00 0.00 C ATOM 732 SD MET A 49 -9.231 7.941 -0.448 1.00 0.00 S ATOM 733 CE MET A 49 -8.821 8.503 -2.099 1.00 0.00 C ATOM 0 H MET A 49 -5.819 5.627 2.340 1.00 0.00 H new ATOM 0 HA MET A 49 -5.224 8.043 0.935 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.328 6.457 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.842 7.395 2.305 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.049 9.380 1.057 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.007 8.802 -0.228 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.623 8.231 -2.786 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.699 9.586 -2.095 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.892 8.034 -2.423 1.00 0.00 H new ATOM 743 N LYS A 50 -5.927 8.220 4.145 1.00 0.00 N ATOM 744 CA LYS A 50 -5.883 9.100 5.308 1.00 0.00 C ATOM 745 C LYS A 50 -4.446 9.428 5.714 1.00 0.00 C ATOM 746 O LYS A 50 -4.220 10.241 6.610 1.00 0.00 O ATOM 747 CB LYS A 50 -6.618 8.452 6.483 1.00 0.00 C ATOM 748 CG LYS A 50 -6.790 9.376 7.679 1.00 0.00 C ATOM 749 CD LYS A 50 -7.347 8.632 8.884 1.00 0.00 C ATOM 750 CE LYS A 50 -6.382 8.673 10.060 1.00 0.00 C ATOM 751 NZ LYS A 50 -7.086 8.924 11.348 1.00 0.00 N ATOM 0 H LYS A 50 -6.157 7.249 4.358 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.376 10.033 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.600 8.120 6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.071 7.563 6.797 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.829 9.821 7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.459 10.194 7.414 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.299 9.074 9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.547 7.596 8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.842 7.728 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.640 9.454 9.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.394 8.945 12.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.581 9.838 11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.776 8.165 11.520 1.00 0.00 H new ATOM 765 N ARG A 51 -3.475 8.794 5.064 1.00 0.00 N ATOM 766 CA ARG A 51 -2.073 9.030 5.388 1.00 0.00 C ATOM 767 C ARG A 51 -1.409 9.972 4.385 1.00 0.00 C ATOM 768 O ARG A 51 -0.515 10.738 4.746 1.00 0.00 O ATOM 769 CB ARG A 51 -1.312 7.704 5.441 1.00 0.00 C ATOM 770 CG ARG A 51 -1.108 7.179 6.854 1.00 0.00 C ATOM 771 CD ARG A 51 -1.496 5.713 6.972 1.00 0.00 C ATOM 772 NE ARG A 51 -2.729 5.533 7.736 1.00 0.00 N ATOM 773 CZ ARG A 51 -2.787 5.558 9.065 1.00 0.00 C ATOM 774 NH1 ARG A 51 -1.689 5.757 9.782 1.00 0.00 N ATOM 775 NH2 ARG A 51 -3.950 5.385 9.681 1.00 0.00 N ATOM 0 H ARG A 51 -3.631 8.118 4.316 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.039 9.508 6.367 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.855 6.959 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -0.340 7.833 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.064 7.303 7.141 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.702 7.770 7.551 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.622 5.290 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.688 5.162 7.453 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.595 5.379 7.220 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.792 5.892 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.741 5.775 10.801 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.798 5.233 9.136 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.995 5.404 10.700 1.00 0.00 H new ATOM 789 N CYS A 52 -1.832 9.906 3.126 1.00 0.00 N ATOM 790 CA CYS A 52 -1.248 10.754 2.088 1.00 0.00 C ATOM 791 C CYS A 52 -2.304 11.562 1.332 1.00 0.00 C ATOM 792 O CYS A 52 -1.974 12.532 0.650 1.00 0.00 O ATOM 793 CB CYS A 52 -0.445 9.902 1.104 1.00 0.00 C ATOM 794 SG CYS A 52 1.150 10.636 0.615 1.00 0.00 S ATOM 0 H CYS A 52 -2.570 9.281 2.800 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.589 11.464 2.587 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.261 8.925 1.551 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.046 9.735 0.210 1.00 0.00 H new ATOM 799 N ALA A 53 -3.568 11.166 1.445 1.00 0.00 N ATOM 800 CA ALA A 53 -4.644 11.870 0.758 1.00 0.00 C ATOM 801 C ALA A 53 -5.328 12.874 1.679 1.00 0.00 C ATOM 802 O ALA A 53 -5.440 14.055 1.351 1.00 0.00 O ATOM 803 CB ALA A 53 -5.658 10.879 0.205 1.00 0.00 C ATOM 0 H ALA A 53 -3.871 10.367 2.002 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.205 12.424 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.455 11.420 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.165 10.209 -0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.081 10.296 1.023 1.00 0.00 H new ATOM 809 N LYS A 54 -5.783 12.398 2.833 1.00 0.00 N ATOM 810 CA LYS A 54 -6.457 13.256 3.799 1.00 0.00 C ATOM 811 C LYS A 54 -5.474 14.223 4.453 1.00 0.00 C ATOM 812 O LYS A 54 -5.849 15.320 4.865 1.00 0.00 O ATOM 813 CB LYS A 54 -7.148 12.410 4.870 1.00 0.00 C ATOM 814 CG LYS A 54 -8.320 13.110 5.536 1.00 0.00 C ATOM 815 CD LYS A 54 -9.632 12.789 4.837 1.00 0.00 C ATOM 816 CE LYS A 54 -10.336 11.610 5.489 1.00 0.00 C ATOM 817 NZ LYS A 54 -11.153 10.841 4.510 1.00 0.00 N ATOM 0 H LYS A 54 -5.697 11.423 3.122 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.208 13.839 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.499 11.482 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.418 12.137 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.380 12.807 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.155 14.187 5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.283 13.663 4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.441 12.565 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.596 10.950 5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.977 11.970 6.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.617 10.046 4.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.876 11.464 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.538 10.476 3.755 1.00 0.00 H new ATOM 831 N ALA A 55 -4.214 13.810 4.543 1.00 0.00 N ATOM 832 CA ALA A 55 -3.179 14.642 5.145 1.00 0.00 C ATOM 833 C ALA A 55 -2.681 15.697 4.164 1.00 0.00 C ATOM 834 O ALA A 55 -1.732 16.429 4.514 1.00 0.00 O ATOM 835 CB ALA A 55 -2.021 13.778 5.626 1.00 0.00 C ATOM 836 OXT ALA A 55 -3.246 15.783 3.052 1.00 0.00 O ATOM 0 H ALA A 55 -3.885 12.905 4.207 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.615 15.157 6.001 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.255 14.412 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.382 13.066 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.596 13.237 4.781 1.00 0.00 H new