USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 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 ILE N :NH3+ -140:sc= -0.373 (180deg=-1.04) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -60:sc= -0.603 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= -2.53 USER MOD Single : A 23 ASN : amide:sc= -4.53 K(o=-4.5,f=-9.1!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.51 K(o=-1.5,f=-9.2!) USER MOD Single : A 40 ASN : amide:sc= -1.58 K(o=-1.6,f=-6.3!) USER MOD Single : A 41 LYS NZ :NH3+ -120:sc= -0.86! (180deg=-1.4) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.85 X(o=-0.85,f=-1.1) 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 1 N ILE A 1 7.855 11.901 5.141 1.00 0.00 N ATOM 2 CA ILE A 1 7.651 12.395 3.754 1.00 0.00 C ATOM 3 C ILE A 1 8.179 11.395 2.728 1.00 0.00 C ATOM 4 O ILE A 1 7.617 11.250 1.643 1.00 0.00 O ATOM 5 CB ILE A 1 8.339 13.760 3.534 1.00 0.00 C ATOM 6 CG1 ILE A 1 9.865 13.612 3.554 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.889 14.755 4.593 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.459 13.325 2.192 1.00 0.00 C ATOM 0 H1 ILE A 1 7.020 12.130 5.717 1.00 0.00 H new ATOM 0 H2 ILE A 1 7.993 10.870 5.126 1.00 0.00 H new ATOM 0 H3 ILE A 1 8.695 12.357 5.552 1.00 0.00 H new ATOM 0 HA ILE A 1 6.576 12.515 3.617 1.00 0.00 H new ATOM 0 HB ILE A 1 8.047 14.136 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 1 10.306 14.527 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 1 10.136 12.807 4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 1 8.382 15.713 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.809 14.887 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 1 8.153 14.379 5.581 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.542 13.232 2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.045 12.394 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 1 10.219 14.141 1.511 1.00 0.00 H new ATOM 22 N ASP A 2 9.262 10.711 3.080 1.00 0.00 N ATOM 23 CA ASP A 2 9.867 9.725 2.190 1.00 0.00 C ATOM 24 C ASP A 2 9.051 8.432 2.155 1.00 0.00 C ATOM 25 O ASP A 2 9.313 7.547 1.340 1.00 0.00 O ATOM 26 CB ASP A 2 11.303 9.427 2.628 1.00 0.00 C ATOM 27 CG ASP A 2 12.321 9.808 1.569 1.00 0.00 C ATOM 28 OD1 ASP A 2 12.668 11.004 1.481 1.00 0.00 O ATOM 29 OD2 ASP A 2 12.769 8.908 0.827 1.00 0.00 O ATOM 0 H ASP A 2 9.739 10.821 3.975 1.00 0.00 H new ATOM 0 HA ASP A 2 9.878 10.145 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.519 9.970 3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.398 8.365 2.854 1.00 0.00 H new ATOM 34 N THR A 3 8.065 8.325 3.041 1.00 0.00 N ATOM 35 CA THR A 3 7.220 7.138 3.105 1.00 0.00 C ATOM 36 C THR A 3 6.098 7.205 2.075 1.00 0.00 C ATOM 37 O THR A 3 5.745 6.199 1.459 1.00 0.00 O ATOM 38 CB THR A 3 6.628 6.985 4.507 1.00 0.00 C ATOM 39 OG1 THR A 3 7.628 7.158 5.495 1.00 0.00 O ATOM 40 CG2 THR A 3 5.981 5.637 4.740 1.00 0.00 C ATOM 0 H THR A 3 7.832 9.046 3.724 1.00 0.00 H new ATOM 0 HA THR A 3 7.842 6.271 2.880 1.00 0.00 H new ATOM 0 HB THR A 3 5.861 7.756 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.230 7.058 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.582 5.595 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.171 5.494 4.025 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.724 4.850 4.610 1.00 0.00 H new ATOM 48 N CYS A 4 5.536 8.396 1.897 1.00 0.00 N ATOM 49 CA CYS A 4 4.447 8.595 0.947 1.00 0.00 C ATOM 50 C CYS A 4 4.950 8.603 -0.497 1.00 0.00 C ATOM 51 O CYS A 4 4.154 8.671 -1.434 1.00 0.00 O ATOM 52 CB CYS A 4 3.718 9.905 1.248 1.00 0.00 C ATOM 53 SG CYS A 4 1.918 9.833 0.979 1.00 0.00 S ATOM 0 H CYS A 4 5.817 9.239 2.398 1.00 0.00 H new ATOM 0 HA CYS A 4 3.757 7.759 1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.909 10.185 2.284 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.137 10.693 0.623 1.00 0.00 H new ATOM 58 N ARG A 5 6.267 8.538 -0.678 1.00 0.00 N ATOM 59 CA ARG A 5 6.848 8.543 -2.018 1.00 0.00 C ATOM 60 C ARG A 5 7.504 7.204 -2.354 1.00 0.00 C ATOM 61 O ARG A 5 7.887 6.967 -3.499 1.00 0.00 O ATOM 62 CB ARG A 5 7.872 9.673 -2.149 1.00 0.00 C ATOM 63 CG ARG A 5 8.988 9.609 -1.121 1.00 0.00 C ATOM 64 CD ARG A 5 9.853 10.858 -1.164 1.00 0.00 C ATOM 65 NE ARG A 5 9.130 12.040 -0.697 1.00 0.00 N ATOM 66 CZ ARG A 5 9.503 13.290 -0.963 1.00 0.00 C ATOM 67 NH1 ARG A 5 10.589 13.527 -1.688 1.00 0.00 N ATOM 68 NH2 ARG A 5 8.788 14.306 -0.501 1.00 0.00 N ATOM 0 H ARG A 5 6.947 8.482 0.080 1.00 0.00 H new ATOM 0 HA ARG A 5 6.037 8.707 -2.727 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.308 9.642 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.358 10.630 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.561 9.494 -0.125 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.606 8.730 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.739 10.707 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.200 11.024 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 5 8.291 11.899 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.144 12.749 -2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.869 14.487 -1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.953 14.130 0.058 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.073 15.264 -0.704 1.00 0.00 H new ATOM 82 N LEU A 6 7.632 6.328 -1.359 1.00 0.00 N ATOM 83 CA LEU A 6 8.243 5.021 -1.577 1.00 0.00 C ATOM 84 C LEU A 6 7.173 3.949 -1.795 1.00 0.00 C ATOM 85 O LEU A 6 6.171 3.910 -1.082 1.00 0.00 O ATOM 86 CB LEU A 6 9.140 4.642 -0.393 1.00 0.00 C ATOM 87 CG LEU A 6 8.407 4.186 0.872 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.026 2.716 0.769 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.271 4.430 2.100 1.00 0.00 C ATOM 0 H LEU A 6 7.323 6.499 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 6 8.857 5.081 -2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.812 3.844 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.762 5.501 -0.141 1.00 0.00 H new ATOM 0 HG LEU A 6 7.492 4.770 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.506 2.410 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.372 2.569 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.927 2.114 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.737 4.101 2.992 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.202 3.870 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.494 5.494 2.182 1.00 0.00 H new ATOM 101 N PRO A 7 7.372 3.063 -2.788 1.00 0.00 N ATOM 102 CA PRO A 7 6.419 1.995 -3.094 1.00 0.00 C ATOM 103 C PRO A 7 6.549 0.808 -2.144 1.00 0.00 C ATOM 104 O PRO A 7 7.585 0.618 -1.509 1.00 0.00 O ATOM 105 CB PRO A 7 6.809 1.587 -4.513 1.00 0.00 C ATOM 106 CG PRO A 7 8.274 1.846 -4.584 1.00 0.00 C ATOM 107 CD PRO A 7 8.539 3.034 -3.694 1.00 0.00 C ATOM 0 HA PRO A 7 5.385 2.324 -2.992 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.581 0.538 -4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.266 2.170 -5.257 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.839 0.976 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.583 2.052 -5.609 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.472 2.920 -3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.621 3.955 -4.271 1.00 0.00 H new ATOM 115 N SER A 8 5.488 0.010 -2.055 1.00 0.00 N ATOM 116 CA SER A 8 5.482 -1.161 -1.184 1.00 0.00 C ATOM 117 C SER A 8 5.674 -2.437 -1.998 1.00 0.00 C ATOM 118 O SER A 8 5.287 -2.506 -3.165 1.00 0.00 O ATOM 119 CB SER A 8 4.171 -1.229 -0.396 1.00 0.00 C ATOM 120 OG SER A 8 4.395 -1.036 0.992 1.00 0.00 O ATOM 0 H SER A 8 4.622 0.153 -2.575 1.00 0.00 H new ATOM 0 HA SER A 8 6.311 -1.072 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.482 -0.469 -0.765 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.696 -2.196 -0.559 1.00 0.00 H new ATOM 0 HG SER A 8 4.995 -1.735 1.327 1.00 0.00 H new ATOM 126 N ASP A 9 6.272 -3.449 -1.375 1.00 0.00 N ATOM 127 CA ASP A 9 6.513 -4.722 -2.045 1.00 0.00 C ATOM 128 C ASP A 9 5.334 -5.669 -1.848 1.00 0.00 C ATOM 129 O ASP A 9 4.626 -5.595 -0.844 1.00 0.00 O ATOM 130 CB ASP A 9 7.800 -5.364 -1.521 1.00 0.00 C ATOM 131 CG ASP A 9 8.890 -5.415 -2.573 1.00 0.00 C ATOM 132 OD1 ASP A 9 8.855 -4.586 -3.506 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.780 -6.286 -2.464 1.00 0.00 O ATOM 0 H ASP A 9 6.598 -3.412 -0.409 1.00 0.00 H new ATOM 0 HA ASP A 9 6.625 -4.530 -3.112 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.158 -4.802 -0.658 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.584 -6.375 -1.176 1.00 0.00 H new ATOM 138 N ARG A 10 5.121 -6.551 -2.820 1.00 0.00 N ATOM 139 CA ARG A 10 4.019 -7.501 -2.762 1.00 0.00 C ATOM 140 C ARG A 10 4.427 -8.805 -2.081 1.00 0.00 C ATOM 141 O ARG A 10 3.568 -9.576 -1.659 1.00 0.00 O ATOM 142 CB ARG A 10 3.505 -7.785 -4.172 1.00 0.00 C ATOM 143 CG ARG A 10 2.762 -6.612 -4.787 1.00 0.00 C ATOM 144 CD ARG A 10 2.589 -6.789 -6.286 1.00 0.00 C ATOM 145 NE ARG A 10 1.815 -7.986 -6.604 1.00 0.00 N ATOM 146 CZ ARG A 10 1.156 -8.164 -7.748 1.00 0.00 C ATOM 147 NH1 ARG A 10 1.171 -7.223 -8.684 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.485 -9.287 -7.959 1.00 0.00 N ATOM 0 H ARG A 10 5.699 -6.626 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 10 3.225 -7.053 -2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.347 -8.049 -4.812 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.843 -8.651 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.784 -6.511 -4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.308 -5.690 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.090 -5.913 -6.701 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.568 -6.853 -6.760 1.00 0.00 H new ATOM 0 HE ARG A 10 1.777 -8.731 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.689 -6.358 -8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.665 -7.365 -9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.473 -10.016 -7.245 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.019 -9.423 -8.835 1.00 0.00 H new ATOM 162 N GLY A 11 5.733 -9.042 -1.966 1.00 0.00 N ATOM 163 CA GLY A 11 6.229 -10.253 -1.325 1.00 0.00 C ATOM 164 C GLY A 11 5.307 -11.450 -1.478 1.00 0.00 C ATOM 165 O GLY A 11 4.739 -11.928 -0.495 1.00 0.00 O ATOM 0 H GLY A 11 6.461 -8.414 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.204 -10.501 -1.744 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.379 -10.055 -0.264 1.00 0.00 H new ATOM 169 N ARG A 12 5.155 -11.939 -2.705 1.00 0.00 N ATOM 170 CA ARG A 12 4.291 -13.089 -2.963 1.00 0.00 C ATOM 171 C ARG A 12 4.596 -14.223 -1.986 1.00 0.00 C ATOM 172 O ARG A 12 3.697 -14.749 -1.330 1.00 0.00 O ATOM 173 CB ARG A 12 4.461 -13.576 -4.405 1.00 0.00 C ATOM 174 CG ARG A 12 5.908 -13.803 -4.809 1.00 0.00 C ATOM 175 CD ARG A 12 6.042 -14.013 -6.309 1.00 0.00 C ATOM 176 NE ARG A 12 5.241 -13.058 -7.072 1.00 0.00 N ATOM 177 CZ ARG A 12 5.536 -11.765 -7.184 1.00 0.00 C ATOM 178 NH1 ARG A 12 6.612 -11.268 -6.586 1.00 0.00 N ATOM 179 NH2 ARG A 12 4.753 -10.966 -7.896 1.00 0.00 N ATOM 0 H ARG A 12 5.615 -11.560 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 12 3.257 -12.776 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.908 -14.507 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.015 -12.846 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.510 -12.947 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.302 -14.672 -4.282 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.089 -13.918 -6.596 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.733 -15.027 -6.561 1.00 0.00 H new ATOM 0 HE ARG A 12 4.407 -13.403 -7.547 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.218 -11.878 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.833 -10.276 -6.676 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.925 -11.342 -8.358 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.979 -9.975 -7.982 1.00 0.00 H new ATOM 193 N CYS A 13 5.874 -14.583 -1.890 1.00 0.00 N ATOM 194 CA CYS A 13 6.319 -15.644 -0.989 1.00 0.00 C ATOM 195 C CYS A 13 5.344 -16.832 -0.992 1.00 0.00 C ATOM 196 O CYS A 13 5.240 -17.547 -1.989 1.00 0.00 O ATOM 197 CB CYS A 13 6.506 -15.083 0.426 1.00 0.00 C ATOM 198 SG CYS A 13 7.703 -13.712 0.529 1.00 0.00 S ATOM 0 H CYS A 13 6.625 -14.152 -2.429 1.00 0.00 H new ATOM 0 HA CYS A 13 7.278 -16.018 -1.346 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.542 -14.738 0.799 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.834 -15.888 1.084 1.00 0.00 H new ATOM 203 N LYS A 14 4.630 -17.043 0.116 1.00 0.00 N ATOM 204 CA LYS A 14 3.678 -18.144 0.213 1.00 0.00 C ATOM 205 C LYS A 14 2.239 -17.633 0.242 1.00 0.00 C ATOM 206 O LYS A 14 1.310 -18.351 -0.130 1.00 0.00 O ATOM 207 CB LYS A 14 3.958 -18.975 1.466 1.00 0.00 C ATOM 208 CG LYS A 14 5.365 -19.548 1.514 1.00 0.00 C ATOM 209 CD LYS A 14 5.505 -20.767 0.617 1.00 0.00 C ATOM 210 CE LYS A 14 6.515 -20.532 -0.496 1.00 0.00 C ATOM 211 NZ LYS A 14 6.491 -21.623 -1.508 1.00 0.00 N ATOM 0 H LYS A 14 4.695 -16.466 0.955 1.00 0.00 H new ATOM 0 HA LYS A 14 3.800 -18.770 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.797 -18.354 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.240 -19.793 1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.080 -18.785 1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.612 -19.820 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.814 -21.625 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.536 -21.013 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.303 -19.580 -0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.515 -20.456 -0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.193 -21.425 -2.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.718 -22.528 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.544 -21.680 -1.935 1.00 0.00 H new ATOM 225 N ALA A 15 2.058 -16.395 0.693 1.00 0.00 N ATOM 226 CA ALA A 15 0.730 -15.800 0.779 1.00 0.00 C ATOM 227 C ALA A 15 0.406 -14.976 -0.462 1.00 0.00 C ATOM 228 O ALA A 15 1.234 -14.835 -1.362 1.00 0.00 O ATOM 229 CB ALA A 15 0.618 -14.939 2.027 1.00 0.00 C ATOM 0 H ALA A 15 2.814 -15.785 1.004 1.00 0.00 H new ATOM 0 HA ALA A 15 0.005 -16.611 0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.379 -14.501 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.790 -15.554 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.362 -14.144 1.988 1.00 0.00 H new ATOM 235 N SER A 16 -0.807 -14.433 -0.503 1.00 0.00 N ATOM 236 CA SER A 16 -1.246 -13.621 -1.632 1.00 0.00 C ATOM 237 C SER A 16 -2.569 -12.926 -1.321 1.00 0.00 C ATOM 238 O SER A 16 -3.638 -13.418 -1.682 1.00 0.00 O ATOM 239 CB SER A 16 -1.392 -14.487 -2.884 1.00 0.00 C ATOM 240 OG SER A 16 -1.678 -15.833 -2.543 1.00 0.00 O ATOM 0 H SER A 16 -1.504 -14.541 0.234 1.00 0.00 H new ATOM 0 HA SER A 16 -0.490 -12.857 -1.814 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.189 -14.091 -3.513 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.473 -14.444 -3.469 1.00 0.00 H new ATOM 0 HG SER A 16 -1.768 -16.366 -3.361 1.00 0.00 H new ATOM 246 N PHE A 17 -2.488 -11.781 -0.650 1.00 0.00 N ATOM 247 CA PHE A 17 -3.681 -11.019 -0.293 1.00 0.00 C ATOM 248 C PHE A 17 -3.674 -9.652 -0.968 1.00 0.00 C ATOM 249 O PHE A 17 -2.634 -9.003 -1.066 1.00 0.00 O ATOM 250 CB PHE A 17 -3.769 -10.851 1.226 1.00 0.00 C ATOM 251 CG PHE A 17 -4.273 -12.074 1.938 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.410 -13.106 2.267 1.00 0.00 C ATOM 253 CD2 PHE A 17 -5.612 -12.189 2.279 1.00 0.00 C ATOM 254 CE1 PHE A 17 -3.871 -14.231 2.922 1.00 0.00 C ATOM 255 CE2 PHE A 17 -6.079 -13.313 2.934 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.207 -14.335 3.257 1.00 0.00 C ATOM 0 H PHE A 17 -1.611 -11.361 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.553 -11.572 -0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.782 -10.596 1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.427 -10.012 1.453 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.364 -13.030 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.297 -11.392 2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.187 -15.029 3.172 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.124 -13.392 3.193 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.569 -15.213 3.770 1.00 0.00 H new ATOM 266 N GLU A 18 -4.842 -9.221 -1.434 1.00 0.00 N ATOM 267 CA GLU A 18 -4.967 -7.931 -2.105 1.00 0.00 C ATOM 268 C GLU A 18 -4.972 -6.787 -1.095 1.00 0.00 C ATOM 269 O GLU A 18 -5.866 -6.692 -0.254 1.00 0.00 O ATOM 270 CB GLU A 18 -6.245 -7.892 -2.946 1.00 0.00 C ATOM 271 CG GLU A 18 -6.056 -7.245 -4.308 1.00 0.00 C ATOM 272 CD GLU A 18 -7.368 -7.035 -5.039 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.286 -6.427 -4.450 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.476 -7.476 -6.203 1.00 0.00 O ATOM 0 H GLU A 18 -5.714 -9.745 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.105 -7.806 -2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.611 -8.910 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.014 -7.348 -2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.555 -6.285 -4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.401 -7.870 -4.916 1.00 0.00 H new ATOM 281 N ARG A 19 -3.971 -5.917 -1.188 1.00 0.00 N ATOM 282 CA ARG A 19 -3.859 -4.777 -0.285 1.00 0.00 C ATOM 283 C ARG A 19 -3.695 -3.476 -1.069 1.00 0.00 C ATOM 284 O ARG A 19 -3.586 -3.491 -2.296 1.00 0.00 O ATOM 285 CB ARG A 19 -2.680 -4.969 0.669 1.00 0.00 C ATOM 286 CG ARG A 19 -2.795 -6.214 1.536 1.00 0.00 C ATOM 287 CD ARG A 19 -4.075 -6.213 2.358 1.00 0.00 C ATOM 288 NE ARG A 19 -4.921 -7.365 2.057 1.00 0.00 N ATOM 289 CZ ARG A 19 -6.009 -7.689 2.751 1.00 0.00 C ATOM 290 NH1 ARG A 19 -6.387 -6.951 3.788 1.00 0.00 N ATOM 291 NH2 ARG A 19 -6.722 -8.754 2.408 1.00 0.00 N ATOM 0 H ARG A 19 -3.225 -5.980 -1.881 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.778 -4.713 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.759 -5.024 0.089 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.599 -4.094 1.314 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.770 -7.101 0.903 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.935 -6.274 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.824 -6.215 3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.630 -5.295 2.163 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.662 -7.957 1.267 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.843 -6.131 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.222 -7.204 4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.436 -9.324 1.612 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.556 -9.002 2.940 1.00 0.00 H new ATOM 305 N TRP A 20 -3.688 -2.354 -0.354 1.00 0.00 N ATOM 306 CA TRP A 20 -3.547 -1.044 -0.985 1.00 0.00 C ATOM 307 C TRP A 20 -2.218 -0.387 -0.621 1.00 0.00 C ATOM 308 O TRP A 20 -1.680 -0.605 0.465 1.00 0.00 O ATOM 309 CB TRP A 20 -4.703 -0.132 -0.572 1.00 0.00 C ATOM 310 CG TRP A 20 -6.037 -0.605 -1.059 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.903 -1.433 -0.404 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.659 -0.280 -2.306 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.023 -1.642 -1.167 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.898 -0.945 -2.339 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.288 0.509 -3.398 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.768 -0.845 -3.420 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.153 0.608 -4.473 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.381 -0.066 -4.476 1.00 0.00 C ATOM 0 H TRP A 20 -3.778 -2.325 0.662 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.568 -1.193 -2.065 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.727 -0.058 0.515 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.519 0.871 -0.956 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.731 -1.861 0.573 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.820 -2.222 -0.904 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.343 1.032 -3.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.715 -1.364 -3.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -6.877 1.214 -5.323 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.036 0.031 -5.329 1.00 0.00 H new ATOM 329 N TYR A 21 -1.699 0.421 -1.540 1.00 0.00 N ATOM 330 CA TYR A 21 -0.432 1.120 -1.332 1.00 0.00 C ATOM 331 C TYR A 21 -0.481 2.506 -1.968 1.00 0.00 C ATOM 332 O TYR A 21 -1.109 2.697 -3.010 1.00 0.00 O ATOM 333 CB TYR A 21 0.725 0.315 -1.934 1.00 0.00 C ATOM 334 CG TYR A 21 0.354 -0.361 -3.230 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.555 -1.405 -3.243 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.887 0.062 -4.442 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.932 -2.007 -4.420 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.521 -0.545 -5.628 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.394 -1.576 -5.612 1.00 0.00 C ATOM 340 OH TYR A 21 -0.793 -2.160 -6.794 1.00 0.00 O ATOM 0 H TYR A 21 -2.138 0.610 -2.441 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.270 1.227 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.573 0.978 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.050 -0.438 -1.216 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.976 -1.753 -2.311 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.597 0.876 -4.457 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.648 -2.816 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.949 -0.214 -6.562 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.319 -1.741 -7.542 1.00 0.00 H new ATOM 350 N PHE A 22 0.181 3.470 -1.338 1.00 0.00 N ATOM 351 CA PHE A 22 0.204 4.835 -1.852 1.00 0.00 C ATOM 352 C PHE A 22 1.108 4.941 -3.078 1.00 0.00 C ATOM 353 O PHE A 22 2.279 4.563 -3.032 1.00 0.00 O ATOM 354 CB PHE A 22 0.680 5.804 -0.767 1.00 0.00 C ATOM 355 CG PHE A 22 -0.091 7.092 -0.736 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.229 8.127 -1.600 1.00 0.00 C ATOM 357 CD2 PHE A 22 -1.134 7.269 0.159 1.00 0.00 C ATOM 358 CE1 PHE A 22 -0.479 9.314 -1.573 1.00 0.00 C ATOM 359 CE2 PHE A 22 -1.846 8.452 0.190 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.518 9.477 -0.678 1.00 0.00 C ATOM 0 H PHE A 22 0.707 3.333 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.811 5.102 -2.147 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.599 5.317 0.205 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.736 6.025 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.040 8.005 -2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.393 6.472 0.840 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.220 10.113 -2.251 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.658 8.576 0.891 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.073 10.403 -0.656 1.00 0.00 H new ATOM 370 N ASN A 23 0.558 5.459 -4.172 1.00 0.00 N ATOM 371 CA ASN A 23 1.317 5.616 -5.408 1.00 0.00 C ATOM 372 C ASN A 23 1.199 7.040 -5.944 1.00 0.00 C ATOM 373 O ASN A 23 0.371 7.322 -6.811 1.00 0.00 O ATOM 374 CB ASN A 23 0.837 4.617 -6.462 1.00 0.00 C ATOM 375 CG ASN A 23 -0.646 4.743 -6.750 1.00 0.00 C ATOM 376 OD1 ASN A 23 -1.481 4.260 -5.987 1.00 0.00 O ATOM 377 ND2 ASN A 23 -0.981 5.393 -7.859 1.00 0.00 N ATOM 0 H ASN A 23 -0.410 5.777 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 23 2.366 5.418 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.397 4.770 -7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.053 3.604 -6.122 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.964 5.507 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.255 5.778 -8.464 1.00 0.00 H new ATOM 384 N GLY A 24 2.033 7.932 -5.421 1.00 0.00 N ATOM 385 CA GLY A 24 2.010 9.315 -5.857 1.00 0.00 C ATOM 386 C GLY A 24 0.909 10.116 -5.193 1.00 0.00 C ATOM 387 O GLY A 24 1.142 10.800 -4.196 1.00 0.00 O ATOM 0 H GLY A 24 2.725 7.721 -4.702 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.973 9.777 -5.639 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.878 9.349 -6.938 1.00 0.00 H new ATOM 391 N ARG A 25 -0.294 10.035 -5.749 1.00 0.00 N ATOM 392 CA ARG A 25 -1.438 10.763 -5.208 1.00 0.00 C ATOM 393 C ARG A 25 -2.606 9.826 -4.911 1.00 0.00 C ATOM 394 O ARG A 25 -3.431 10.109 -4.041 1.00 0.00 O ATOM 395 CB ARG A 25 -1.882 11.851 -6.188 1.00 0.00 C ATOM 396 CG ARG A 25 -2.328 11.310 -7.537 1.00 0.00 C ATOM 397 CD ARG A 25 -1.228 11.432 -8.579 1.00 0.00 C ATOM 398 NE ARG A 25 -1.640 10.899 -9.875 1.00 0.00 N ATOM 399 CZ ARG A 25 -1.027 11.181 -11.023 1.00 0.00 C ATOM 400 NH1 ARG A 25 0.024 11.991 -11.040 1.00 0.00 N ATOM 401 NH2 ARG A 25 -1.467 10.652 -12.156 1.00 0.00 N ATOM 0 H ARG A 25 -0.504 9.473 -6.574 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.126 11.224 -4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.701 12.416 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.059 12.549 -6.340 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.617 10.264 -7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.211 11.853 -7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.949 12.480 -8.690 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.341 10.901 -8.234 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.445 10.274 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.366 12.401 -10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.490 12.204 -11.922 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.275 10.029 -12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.998 10.868 -13.036 1.00 0.00 H new ATOM 415 N THR A 26 -2.678 8.712 -5.635 1.00 0.00 N ATOM 416 CA THR A 26 -3.753 7.745 -5.443 1.00 0.00 C ATOM 417 C THR A 26 -3.222 6.448 -4.842 1.00 0.00 C ATOM 418 O THR A 26 -2.015 6.276 -4.675 1.00 0.00 O ATOM 419 CB THR A 26 -4.452 7.457 -6.775 1.00 0.00 C ATOM 420 OG1 THR A 26 -3.676 7.927 -7.863 1.00 0.00 O ATOM 421 CG2 THR A 26 -5.822 8.091 -6.880 1.00 0.00 C ATOM 0 H THR A 26 -2.006 8.458 -6.359 1.00 0.00 H new ATOM 0 HA THR A 26 -4.473 8.175 -4.747 1.00 0.00 H new ATOM 0 HB THR A 26 -4.566 6.374 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.140 7.732 -8.704 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.262 7.848 -7.847 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.462 7.709 -6.084 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.731 9.173 -6.784 1.00 0.00 H new ATOM 429 N CYS A 27 -4.137 5.540 -4.517 1.00 0.00 N ATOM 430 CA CYS A 27 -3.770 4.255 -3.933 1.00 0.00 C ATOM 431 C CYS A 27 -3.941 3.128 -4.948 1.00 0.00 C ATOM 432 O CYS A 27 -4.985 3.005 -5.589 1.00 0.00 O ATOM 433 CB CYS A 27 -4.615 3.977 -2.688 1.00 0.00 C ATOM 434 SG CYS A 27 -4.784 5.406 -1.569 1.00 0.00 S ATOM 0 H CYS A 27 -5.140 5.671 -4.649 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.720 4.300 -3.644 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.608 3.655 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.170 3.149 -2.137 1.00 0.00 H new ATOM 439 N ALA A 28 -2.902 2.313 -5.091 1.00 0.00 N ATOM 440 CA ALA A 28 -2.914 1.194 -6.027 1.00 0.00 C ATOM 441 C ALA A 28 -3.272 -0.114 -5.320 1.00 0.00 C ATOM 442 O ALA A 28 -3.475 -0.135 -4.106 1.00 0.00 O ATOM 443 CB ALA A 28 -1.582 1.091 -6.747 1.00 0.00 C ATOM 0 H ALA A 28 -2.033 2.408 -4.565 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.687 1.379 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.608 0.251 -7.441 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.394 2.012 -7.298 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.786 0.935 -6.019 1.00 0.00 H new ATOM 449 N LYS A 29 -3.373 -1.200 -6.087 1.00 0.00 N ATOM 450 CA LYS A 29 -3.737 -2.501 -5.528 1.00 0.00 C ATOM 451 C LYS A 29 -2.960 -3.637 -6.190 1.00 0.00 C ATOM 452 O LYS A 29 -2.708 -3.618 -7.394 1.00 0.00 O ATOM 453 CB LYS A 29 -5.240 -2.741 -5.689 1.00 0.00 C ATOM 454 CG LYS A 29 -5.718 -2.654 -7.129 1.00 0.00 C ATOM 455 CD LYS A 29 -6.838 -3.646 -7.404 1.00 0.00 C ATOM 456 CE LYS A 29 -8.189 -2.955 -7.486 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.312 -3.932 -7.519 1.00 0.00 N ATOM 0 H LYS A 29 -3.208 -1.204 -7.094 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.479 -2.489 -4.469 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.487 -3.725 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.783 -2.010 -5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.067 -1.643 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.884 -2.849 -7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.639 -4.170 -8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.861 -4.398 -6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.310 -2.292 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.224 -2.331 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.216 -3.420 -7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.211 -4.549 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.295 -4.510 -6.655 1.00 0.00 H new ATOM 471 N PHE A 30 -2.584 -4.626 -5.381 1.00 0.00 N ATOM 472 CA PHE A 30 -1.835 -5.782 -5.863 1.00 0.00 C ATOM 473 C PHE A 30 -1.899 -6.919 -4.847 1.00 0.00 C ATOM 474 O PHE A 30 -2.479 -6.765 -3.773 1.00 0.00 O ATOM 475 CB PHE A 30 -0.376 -5.413 -6.167 1.00 0.00 C ATOM 476 CG PHE A 30 0.347 -4.680 -5.064 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.060 -4.773 -3.740 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.456 -3.899 -5.360 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.619 -4.106 -2.741 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.138 -3.228 -4.362 1.00 0.00 C ATOM 481 CZ PHE A 30 1.720 -3.333 -3.052 1.00 0.00 C ATOM 0 H PHE A 30 -2.788 -4.648 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.295 -6.117 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.173 -6.327 -6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.354 -4.796 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.920 -5.376 -3.488 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.790 -3.815 -6.383 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.289 -4.189 -1.716 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.997 -2.622 -4.608 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.253 -2.811 -2.271 1.00 0.00 H new ATOM 491 N ILE A 31 -1.313 -8.062 -5.185 1.00 0.00 N ATOM 492 CA ILE A 31 -1.328 -9.206 -4.284 1.00 0.00 C ATOM 493 C ILE A 31 -0.124 -9.168 -3.347 1.00 0.00 C ATOM 494 O ILE A 31 0.962 -9.628 -3.692 1.00 0.00 O ATOM 495 CB ILE A 31 -1.319 -10.531 -5.071 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.479 -10.564 -6.066 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.393 -11.721 -4.123 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.841 -10.515 -5.409 1.00 0.00 C ATOM 0 H ILE A 31 -0.826 -8.220 -6.067 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.245 -9.150 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.383 -10.597 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.384 -9.721 -6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.407 -11.471 -6.666 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.385 -12.646 -4.699 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.535 -11.705 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.312 -11.665 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.616 -10.542 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.956 -11.373 -4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.934 -9.595 -4.832 1.00 0.00 H new ATOM 510 N TYR A 32 -0.335 -8.607 -2.158 1.00 0.00 N ATOM 511 CA TYR A 32 0.723 -8.491 -1.161 1.00 0.00 C ATOM 512 C TYR A 32 0.754 -9.708 -0.242 1.00 0.00 C ATOM 513 O TYR A 32 0.021 -9.772 0.745 1.00 0.00 O ATOM 514 CB TYR A 32 0.525 -7.215 -0.334 1.00 0.00 C ATOM 515 CG TYR A 32 1.501 -7.066 0.815 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.856 -7.310 0.639 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.063 -6.677 2.076 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.749 -7.172 1.685 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.949 -6.538 3.127 1.00 0.00 C ATOM 520 CZ TYR A 32 3.291 -6.786 2.927 1.00 0.00 C ATOM 521 OH TYR A 32 4.176 -6.646 3.971 1.00 0.00 O ATOM 0 H TYR A 32 -1.233 -8.225 -1.862 1.00 0.00 H new ATOM 0 HA TYR A 32 1.677 -8.439 -1.685 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.619 -6.351 -0.991 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.490 -7.205 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.219 -7.613 -0.332 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.013 -6.480 2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.800 -7.366 1.530 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.592 -6.237 4.101 1.00 0.00 H new ATOM 0 HH TYR A 32 3.691 -6.368 4.776 1.00 0.00 H new ATOM 531 N GLY A 33 1.615 -10.666 -0.567 1.00 0.00 N ATOM 532 CA GLY A 33 1.736 -11.860 0.247 1.00 0.00 C ATOM 533 C GLY A 33 2.112 -11.538 1.679 1.00 0.00 C ATOM 534 O GLY A 33 1.717 -12.245 2.607 1.00 0.00 O ATOM 0 H GLY A 33 2.231 -10.637 -1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.792 -12.404 0.234 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.489 -12.518 -0.186 1.00 0.00 H new ATOM 538 N GLY A 34 2.870 -10.459 1.861 1.00 0.00 N ATOM 539 CA GLY A 34 3.278 -10.056 3.193 1.00 0.00 C ATOM 540 C GLY A 34 4.772 -9.811 3.322 1.00 0.00 C ATOM 541 O GLY A 34 5.261 -9.539 4.419 1.00 0.00 O ATOM 0 H GLY A 34 3.208 -9.858 1.109 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.744 -9.147 3.468 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.982 -10.827 3.904 1.00 0.00 H new ATOM 545 N CYS A 35 5.507 -9.906 2.215 1.00 0.00 N ATOM 546 CA CYS A 35 6.952 -9.686 2.248 1.00 0.00 C ATOM 547 C CYS A 35 7.332 -8.391 1.532 1.00 0.00 C ATOM 548 O CYS A 35 7.044 -8.211 0.346 1.00 0.00 O ATOM 549 CB CYS A 35 7.700 -10.877 1.635 1.00 0.00 C ATOM 550 SG CYS A 35 6.921 -12.496 1.955 1.00 0.00 S ATOM 0 H CYS A 35 5.131 -10.131 1.294 1.00 0.00 H new ATOM 0 HA CYS A 35 7.248 -9.593 3.293 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.775 -10.729 0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.717 -10.893 2.026 1.00 0.00 H new ATOM 555 N GLY A 36 7.981 -7.492 2.264 1.00 0.00 N ATOM 556 CA GLY A 36 8.393 -6.224 1.691 1.00 0.00 C ATOM 557 C GLY A 36 7.400 -5.112 1.964 1.00 0.00 C ATOM 558 O GLY A 36 6.419 -4.954 1.237 1.00 0.00 O ATOM 0 H GLY A 36 8.229 -7.619 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.366 -5.945 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.517 -6.339 0.614 1.00 0.00 H new ATOM 562 N GLY A 37 7.655 -4.338 3.014 1.00 0.00 N ATOM 563 CA GLY A 37 6.768 -3.243 3.363 1.00 0.00 C ATOM 564 C GLY A 37 7.328 -2.374 4.472 1.00 0.00 C ATOM 565 O GLY A 37 8.342 -2.712 5.083 1.00 0.00 O ATOM 0 H GLY A 37 8.460 -4.449 3.630 1.00 0.00 H new ATOM 0 HA2 GLY A 37 6.589 -2.629 2.480 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.804 -3.645 3.673 1.00 0.00 H new ATOM 569 N ASN A 38 6.667 -1.250 4.733 1.00 0.00 N ATOM 570 CA ASN A 38 7.108 -0.329 5.777 1.00 0.00 C ATOM 571 C ASN A 38 5.984 0.629 6.171 1.00 0.00 C ATOM 572 O ASN A 38 5.266 0.387 7.141 1.00 0.00 O ATOM 573 CB ASN A 38 8.341 0.459 5.316 1.00 0.00 C ATOM 574 CG ASN A 38 8.371 0.681 3.815 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.329 0.842 3.180 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.569 0.690 3.241 1.00 0.00 N ATOM 0 H ASN A 38 5.826 -0.955 4.237 1.00 0.00 H new ATOM 0 HA ASN A 38 7.378 -0.918 6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.359 1.424 5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.242 -0.076 5.617 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.651 0.835 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.407 0.552 3.807 1.00 0.00 H new ATOM 583 N GLY A 39 5.833 1.716 5.416 1.00 0.00 N ATOM 584 CA GLY A 39 4.792 2.685 5.712 1.00 0.00 C ATOM 585 C GLY A 39 3.894 2.970 4.521 1.00 0.00 C ATOM 586 O GLY A 39 2.907 3.694 4.644 1.00 0.00 O ATOM 0 H GLY A 39 6.412 1.942 4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.185 2.317 6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.253 3.615 6.044 1.00 0.00 H new ATOM 590 N ASN A 40 4.232 2.401 3.367 1.00 0.00 N ATOM 591 CA ASN A 40 3.442 2.601 2.157 1.00 0.00 C ATOM 592 C ASN A 40 2.353 1.539 2.038 1.00 0.00 C ATOM 593 O ASN A 40 1.326 1.756 1.393 1.00 0.00 O ATOM 594 CB ASN A 40 4.346 2.565 0.923 1.00 0.00 C ATOM 595 CG ASN A 40 3.599 2.898 -0.353 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.283 2.015 -1.150 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.313 4.179 -0.553 1.00 0.00 N ATOM 0 H ASN A 40 5.046 1.799 3.245 1.00 0.00 H new ATOM 0 HA ASN A 40 2.964 3.579 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.165 3.272 1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.791 1.574 0.832 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.812 4.464 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.594 4.878 0.135 1.00 0.00 H new ATOM 604 N LYS A 41 2.587 0.390 2.665 1.00 0.00 N ATOM 605 CA LYS A 41 1.633 -0.712 2.637 1.00 0.00 C ATOM 606 C LYS A 41 0.383 -0.378 3.450 1.00 0.00 C ATOM 607 O LYS A 41 0.464 0.274 4.491 1.00 0.00 O ATOM 608 CB LYS A 41 2.285 -1.983 3.184 1.00 0.00 C ATOM 609 CG LYS A 41 1.512 -3.252 2.869 1.00 0.00 C ATOM 610 CD LYS A 41 1.595 -3.602 1.391 1.00 0.00 C ATOM 611 CE LYS A 41 0.217 -3.684 0.756 1.00 0.00 C ATOM 612 NZ LYS A 41 -0.052 -2.526 -0.141 1.00 0.00 N ATOM 0 H LYS A 41 3.433 0.198 3.201 1.00 0.00 H new ATOM 0 HA LYS A 41 1.334 -0.876 1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.291 -2.070 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.389 -1.891 4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.907 -4.077 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.468 -3.124 3.156 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.191 -2.851 0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.109 -4.556 1.271 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.134 -4.610 0.187 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.541 -3.721 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.885 -2.007 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.772 -1.892 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.231 -2.869 -1.106 1.00 0.00 H new ATOM 626 N PHE A 42 -0.770 -0.833 2.968 1.00 0.00 N ATOM 627 CA PHE A 42 -2.039 -0.590 3.645 1.00 0.00 C ATOM 628 C PHE A 42 -3.039 -1.702 3.329 1.00 0.00 C ATOM 629 O PHE A 42 -3.139 -2.145 2.186 1.00 0.00 O ATOM 630 CB PHE A 42 -2.614 0.764 3.228 1.00 0.00 C ATOM 631 CG PHE A 42 -1.676 1.913 3.459 1.00 0.00 C ATOM 632 CD1 PHE A 42 -1.342 2.305 4.745 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.125 2.600 2.390 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.478 3.361 4.960 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.260 3.657 2.598 1.00 0.00 C ATOM 636 CZ PHE A 42 0.064 4.038 3.886 1.00 0.00 C ATOM 0 H PHE A 42 -0.851 -1.374 2.107 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.856 -0.580 4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.877 0.727 2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.537 0.943 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -1.762 1.779 5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.375 2.306 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.227 3.657 5.968 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.162 4.184 1.755 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.740 4.864 4.052 1.00 0.00 H new ATOM 646 N PRO A 43 -3.790 -2.175 4.339 1.00 0.00 N ATOM 647 CA PRO A 43 -4.776 -3.246 4.153 1.00 0.00 C ATOM 648 C PRO A 43 -5.962 -2.816 3.294 1.00 0.00 C ATOM 649 O PRO A 43 -6.295 -3.474 2.309 1.00 0.00 O ATOM 650 CB PRO A 43 -5.235 -3.567 5.579 1.00 0.00 C ATOM 651 CG PRO A 43 -4.951 -2.332 6.363 1.00 0.00 C ATOM 652 CD PRO A 43 -3.734 -1.710 5.739 1.00 0.00 C ATOM 0 HA PRO A 43 -4.346 -4.098 3.627 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.296 -3.816 5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.696 -4.424 5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.798 -1.647 6.331 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.773 -2.569 7.412 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.762 -0.622 5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.819 -2.035 6.234 1.00 0.00 H new ATOM 660 N THR A 44 -6.600 -1.713 3.674 1.00 0.00 N ATOM 661 CA THR A 44 -7.752 -1.206 2.937 1.00 0.00 C ATOM 662 C THR A 44 -7.468 0.178 2.360 1.00 0.00 C ATOM 663 O THR A 44 -6.499 0.835 2.741 1.00 0.00 O ATOM 664 CB THR A 44 -8.979 -1.147 3.848 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.596 -0.923 5.192 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.811 -2.410 3.812 1.00 0.00 C ATOM 0 H THR A 44 -6.339 -1.154 4.487 1.00 0.00 H new ATOM 0 HA THR A 44 -7.950 -1.889 2.111 1.00 0.00 H new ATOM 0 HB THR A 44 -9.582 -0.323 3.467 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.395 -0.887 5.758 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.665 -2.302 4.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.165 -2.584 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.203 -3.255 4.134 1.00 0.00 H new ATOM 674 N GLN A 45 -8.320 0.612 1.437 1.00 0.00 N ATOM 675 CA GLN A 45 -8.164 1.917 0.806 1.00 0.00 C ATOM 676 C GLN A 45 -8.517 3.037 1.780 1.00 0.00 C ATOM 677 O GLN A 45 -7.974 4.139 1.696 1.00 0.00 O ATOM 678 CB GLN A 45 -9.046 2.012 -0.442 1.00 0.00 C ATOM 679 CG GLN A 45 -8.349 2.652 -1.631 1.00 0.00 C ATOM 680 CD GLN A 45 -8.750 4.100 -1.832 1.00 0.00 C ATOM 681 OE1 GLN A 45 -8.295 4.989 -1.112 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.608 4.346 -2.815 1.00 0.00 N ATOM 0 H GLN A 45 -9.126 0.079 1.110 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.120 2.030 0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.376 1.011 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.940 2.588 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.270 2.594 -1.489 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.583 2.086 -2.532 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.961 3.579 -3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.915 5.302 -2.997 1.00 0.00 H new ATOM 691 N GLU A 46 -9.427 2.748 2.706 1.00 0.00 N ATOM 692 CA GLU A 46 -9.849 3.730 3.696 1.00 0.00 C ATOM 693 C GLU A 46 -8.659 4.219 4.515 1.00 0.00 C ATOM 694 O GLU A 46 -8.609 5.379 4.926 1.00 0.00 O ATOM 695 CB GLU A 46 -10.909 3.130 4.623 1.00 0.00 C ATOM 696 CG GLU A 46 -11.798 4.170 5.284 1.00 0.00 C ATOM 697 CD GLU A 46 -12.649 3.587 6.396 1.00 0.00 C ATOM 698 OE1 GLU A 46 -13.679 2.953 6.085 1.00 0.00 O ATOM 699 OE2 GLU A 46 -12.284 3.766 7.577 1.00 0.00 O ATOM 0 H GLU A 46 -9.886 1.841 2.790 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.280 4.581 3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.532 2.442 4.051 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.413 2.543 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.177 4.970 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.447 4.619 4.532 1.00 0.00 H new ATOM 706 N ALA A 47 -7.701 3.328 4.746 1.00 0.00 N ATOM 707 CA ALA A 47 -6.510 3.667 5.512 1.00 0.00 C ATOM 708 C ALA A 47 -5.560 4.529 4.687 1.00 0.00 C ATOM 709 O ALA A 47 -5.091 5.570 5.147 1.00 0.00 O ATOM 710 CB ALA A 47 -5.807 2.403 5.980 1.00 0.00 C ATOM 0 H ALA A 47 -7.727 2.364 4.413 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.818 4.241 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.918 2.671 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.482 1.823 6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.516 1.807 5.115 1.00 0.00 H new ATOM 716 N CYS A 48 -5.281 4.084 3.466 1.00 0.00 N ATOM 717 CA CYS A 48 -4.387 4.806 2.564 1.00 0.00 C ATOM 718 C CYS A 48 -4.771 6.282 2.464 1.00 0.00 C ATOM 719 O CYS A 48 -3.908 7.148 2.312 1.00 0.00 O ATOM 720 CB CYS A 48 -4.420 4.159 1.175 1.00 0.00 C ATOM 721 SG CYS A 48 -3.441 5.034 -0.091 1.00 0.00 S ATOM 0 H CYS A 48 -5.663 3.222 3.076 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.376 4.750 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.054 3.136 1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.455 4.101 0.840 1.00 0.00 H new ATOM 726 N MET A 49 -6.067 6.559 2.543 1.00 0.00 N ATOM 727 CA MET A 49 -6.562 7.929 2.452 1.00 0.00 C ATOM 728 C MET A 49 -6.430 8.663 3.785 1.00 0.00 C ATOM 729 O MET A 49 -6.046 9.831 3.823 1.00 0.00 O ATOM 730 CB MET A 49 -8.024 7.932 2.000 1.00 0.00 C ATOM 731 CG MET A 49 -8.205 7.619 0.525 1.00 0.00 C ATOM 732 SD MET A 49 -9.905 7.188 0.108 1.00 0.00 S ATOM 733 CE MET A 49 -10.363 8.575 -0.927 1.00 0.00 C ATOM 0 H MET A 49 -6.794 5.855 2.670 1.00 0.00 H new ATOM 0 HA MET A 49 -5.953 8.454 1.716 1.00 0.00 H new ATOM 0 HB2 MET A 49 -8.579 7.202 2.589 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.459 8.909 2.212 1.00 0.00 H new ATOM 0 HG2 MET A 49 -7.898 8.482 -0.066 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.548 6.794 0.250 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.392 8.453 -1.265 1.00 0.00 H new ATOM 0 HE2 MET A 49 -10.276 9.499 -0.356 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.700 8.618 -1.791 1.00 0.00 H new ATOM 743 N LYS A 50 -6.759 7.980 4.874 1.00 0.00 N ATOM 744 CA LYS A 50 -6.684 8.582 6.202 1.00 0.00 C ATOM 745 C LYS A 50 -5.251 8.605 6.738 1.00 0.00 C ATOM 746 O LYS A 50 -5.010 9.071 7.851 1.00 0.00 O ATOM 747 CB LYS A 50 -7.593 7.833 7.178 1.00 0.00 C ATOM 748 CG LYS A 50 -7.133 6.416 7.479 1.00 0.00 C ATOM 749 CD LYS A 50 -6.946 6.191 8.971 1.00 0.00 C ATOM 750 CE LYS A 50 -5.822 5.206 9.251 1.00 0.00 C ATOM 751 NZ LYS A 50 -5.100 5.530 10.512 1.00 0.00 N ATOM 0 H LYS A 50 -7.080 7.012 4.866 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.022 9.614 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.648 8.393 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.602 7.798 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.864 5.706 7.093 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.194 6.220 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.728 7.141 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.874 5.817 9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.231 4.198 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.119 5.212 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.342 4.835 10.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.688 6.482 10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.765 5.499 11.311 1.00 0.00 H new ATOM 765 N ARG A 51 -4.302 8.098 5.952 1.00 0.00 N ATOM 766 CA ARG A 51 -2.906 8.068 6.377 1.00 0.00 C ATOM 767 C ARG A 51 -2.099 9.194 5.733 1.00 0.00 C ATOM 768 O ARG A 51 -1.355 9.899 6.414 1.00 0.00 O ATOM 769 CB ARG A 51 -2.274 6.716 6.040 1.00 0.00 C ATOM 770 CG ARG A 51 -1.431 6.144 7.166 1.00 0.00 C ATOM 771 CD ARG A 51 -0.176 6.969 7.399 1.00 0.00 C ATOM 772 NE ARG A 51 0.718 6.946 6.244 1.00 0.00 N ATOM 773 CZ ARG A 51 2.008 7.270 6.298 1.00 0.00 C ATOM 774 NH1 ARG A 51 2.558 7.643 7.446 1.00 0.00 N ATOM 775 NH2 ARG A 51 2.750 7.220 5.201 1.00 0.00 N ATOM 0 H ARG A 51 -4.473 7.706 5.026 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.888 8.214 7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.063 6.007 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.653 6.826 5.151 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.021 6.111 8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.153 5.117 6.928 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.456 7.999 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.351 6.587 8.273 1.00 0.00 H new ATOM 0 HE ARG A 51 0.331 6.665 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.992 7.683 8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.547 7.890 7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.333 6.933 4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.738 7.468 5.242 1.00 0.00 H new ATOM 789 N CYS A 52 -2.235 9.351 4.419 1.00 0.00 N ATOM 790 CA CYS A 52 -1.497 10.387 3.700 1.00 0.00 C ATOM 791 C CYS A 52 -2.428 11.444 3.111 1.00 0.00 C ATOM 792 O CYS A 52 -2.018 12.583 2.887 1.00 0.00 O ATOM 793 CB CYS A 52 -0.653 9.756 2.589 1.00 0.00 C ATOM 794 SG CYS A 52 1.145 9.892 2.856 1.00 0.00 S ATOM 0 H CYS A 52 -2.844 8.779 3.834 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.844 10.884 4.417 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.918 8.703 2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.906 10.230 1.641 1.00 0.00 H new ATOM 799 N ALA A 53 -3.677 11.069 2.857 1.00 0.00 N ATOM 800 CA ALA A 53 -4.647 11.999 2.290 1.00 0.00 C ATOM 801 C ALA A 53 -5.276 12.873 3.371 1.00 0.00 C ATOM 802 O ALA A 53 -5.753 13.972 3.092 1.00 0.00 O ATOM 803 CB ALA A 53 -5.723 11.244 1.525 1.00 0.00 C ATOM 0 H ALA A 53 -4.040 10.132 3.034 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.117 12.653 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.439 11.953 1.108 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.263 10.675 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.239 10.562 2.201 1.00 0.00 H new ATOM 809 N LYS A 54 -5.273 12.381 4.606 1.00 0.00 N ATOM 810 CA LYS A 54 -5.844 13.124 5.721 1.00 0.00 C ATOM 811 C LYS A 54 -4.862 14.173 6.234 1.00 0.00 C ATOM 812 O LYS A 54 -5.087 15.374 6.085 1.00 0.00 O ATOM 813 CB LYS A 54 -6.234 12.171 6.855 1.00 0.00 C ATOM 814 CG LYS A 54 -7.721 12.176 7.168 1.00 0.00 C ATOM 815 CD LYS A 54 -8.533 11.579 6.030 1.00 0.00 C ATOM 816 CE LYS A 54 -9.822 12.350 5.799 1.00 0.00 C ATOM 817 NZ LYS A 54 -10.646 11.744 4.718 1.00 0.00 N ATOM 0 H LYS A 54 -4.882 11.473 4.858 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.739 13.634 5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.931 11.159 6.588 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.681 12.443 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.903 11.610 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.051 13.198 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.938 11.582 5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.766 10.538 6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.399 12.377 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.586 13.382 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.516 12.300 4.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.105 11.741 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.893 10.767 4.976 1.00 0.00 H new ATOM 831 N ALA A 55 -3.772 13.712 6.838 1.00 0.00 N ATOM 832 CA ALA A 55 -2.755 14.610 7.372 1.00 0.00 C ATOM 833 C ALA A 55 -2.045 15.362 6.252 1.00 0.00 C ATOM 834 O ALA A 55 -2.347 15.088 5.071 1.00 0.00 O ATOM 835 CB ALA A 55 -1.751 13.831 8.207 1.00 0.00 C ATOM 836 OXT ALA A 55 -1.192 16.219 6.565 1.00 0.00 O ATOM 0 H ALA A 55 -3.570 12.721 6.970 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.250 15.343 8.009 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.997 14.513 8.600 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.266 13.344 9.035 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.269 13.076 7.586 1.00 0.00 H new TER 842 ALA A 55