USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 267 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 221 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0562) USER MOD Single : A 224 HIS : no HD1:sc= -0.0592 X(o=-0.059,f=-0.061) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -125:sc= 0.0847 (180deg=0) USER MOD Single : A 240 MET CE :methyl 147:sc= -0.113 (180deg=-1.13) USER MOD Single : A 250 GLN : amide:sc= -0.325 K(o=-0.33,f=-1.1) USER MOD Single : A 251 ASN : amide:sc= -0.683 K(o=-0.68,f=-11!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 -17.897 -4.969 9.027 1.00 0.00 N ATOM 2 CA GLY A 220 -17.858 -4.840 7.569 1.00 0.00 C ATOM 3 C GLY A 220 -16.529 -4.259 7.148 1.00 0.00 C ATOM 4 O GLY A 220 -16.039 -3.321 7.779 1.00 0.00 O ATOM 0 HA2 GLY A 220 -18.004 -5.815 7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -18.671 -4.199 7.229 1.00 0.00 H new ATOM 8 N LYS A 221 -15.906 -4.847 6.128 1.00 0.00 N ATOM 9 CA LYS A 221 -14.644 -4.361 5.590 1.00 0.00 C ATOM 10 C LYS A 221 -14.866 -3.128 4.711 1.00 0.00 C ATOM 11 O LYS A 221 -15.928 -3.012 4.091 1.00 0.00 O ATOM 12 CB LYS A 221 -13.986 -5.468 4.758 1.00 0.00 C ATOM 13 CG LYS A 221 -12.931 -6.246 5.545 1.00 0.00 C ATOM 14 CD LYS A 221 -12.918 -7.738 5.191 1.00 0.00 C ATOM 15 CE LYS A 221 -11.646 -8.451 5.667 1.00 0.00 C ATOM 16 NZ LYS A 221 -11.343 -8.215 7.092 1.00 0.00 N ATOM 0 H LYS A 221 -16.266 -5.675 5.653 1.00 0.00 H new ATOM 0 HA LYS A 221 -13.996 -4.083 6.421 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -14.753 -6.158 4.406 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -13.524 -5.028 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -11.947 -5.820 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -13.120 -6.130 6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -13.788 -8.220 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -13.010 -7.851 4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -11.754 -9.522 5.498 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.803 -8.116 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -10.544 -8.815 7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -11.094 -7.215 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -12.177 -8.449 7.668 1.00 0.00 H new ATOM 30 N PRO A 222 -13.842 -2.265 4.584 1.00 0.00 N ATOM 31 CA PRO A 222 -13.837 -1.168 3.636 1.00 0.00 C ATOM 32 C PRO A 222 -13.841 -1.630 2.180 1.00 0.00 C ATOM 33 O PRO A 222 -13.679 -2.803 1.850 1.00 0.00 O ATOM 34 CB PRO A 222 -12.591 -0.328 3.947 1.00 0.00 C ATOM 35 CG PRO A 222 -11.676 -1.253 4.744 1.00 0.00 C ATOM 36 CD PRO A 222 -12.612 -2.282 5.364 1.00 0.00 C ATOM 0 HA PRO A 222 -14.753 -0.587 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -12.107 0.012 3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -12.849 0.562 4.521 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -10.936 -1.728 4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -11.128 -0.704 5.510 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -12.159 -3.273 5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -12.814 -2.040 6.407 1.00 0.00 H new ATOM 44 N GLU A 223 -13.997 -0.637 1.317 1.00 0.00 N ATOM 45 CA GLU A 223 -13.970 -0.628 -0.133 1.00 0.00 C ATOM 46 C GLU A 223 -12.764 -1.366 -0.719 1.00 0.00 C ATOM 47 O GLU A 223 -12.915 -2.050 -1.726 1.00 0.00 O ATOM 48 CB GLU A 223 -14.045 0.845 -0.587 1.00 0.00 C ATOM 49 CG GLU A 223 -13.100 1.814 0.162 1.00 0.00 C ATOM 50 CD GLU A 223 -13.716 2.541 1.375 1.00 0.00 C ATOM 51 OE1 GLU A 223 -14.403 1.923 2.220 1.00 0.00 O ATOM 52 OE2 GLU A 223 -13.436 3.748 1.562 1.00 0.00 O ATOM 0 H GLU A 223 -14.168 0.305 1.669 1.00 0.00 H new ATOM 0 HA GLU A 223 -14.827 -1.182 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -13.818 0.892 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -15.070 1.195 -0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -12.229 1.254 0.501 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -12.742 2.563 -0.545 1.00 0.00 H new ATOM 59 N HIS A 224 -11.584 -1.289 -0.102 1.00 0.00 N ATOM 60 CA HIS A 224 -10.388 -2.013 -0.533 1.00 0.00 C ATOM 61 C HIS A 224 -9.684 -2.523 0.731 1.00 0.00 C ATOM 62 O HIS A 224 -10.108 -2.205 1.842 1.00 0.00 O ATOM 63 CB HIS A 224 -9.475 -1.110 -1.384 1.00 0.00 C ATOM 64 CG HIS A 224 -10.165 -0.262 -2.431 1.00 0.00 C ATOM 65 ND1 HIS A 224 -10.239 1.110 -2.409 1.00 0.00 N ATOM 66 CD2 HIS A 224 -10.738 -0.684 -3.602 1.00 0.00 C ATOM 67 CE1 HIS A 224 -10.852 1.514 -3.530 1.00 0.00 C ATOM 68 NE2 HIS A 224 -11.201 0.458 -4.287 1.00 0.00 N ATOM 0 H HIS A 224 -11.430 -0.712 0.725 1.00 0.00 H new ATOM 0 HA HIS A 224 -10.652 -2.857 -1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -8.926 -0.448 -0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -8.739 -1.740 -1.883 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -10.820 -1.707 -3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -11.040 2.545 -3.790 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -11.700 0.479 -5.177 1.00 0.00 H new ATOM 76 N ILE A 225 -8.616 -3.309 0.592 1.00 0.00 N ATOM 77 CA ILE A 225 -7.889 -3.918 1.714 1.00 0.00 C ATOM 78 C ILE A 225 -6.398 -3.582 1.534 1.00 0.00 C ATOM 79 O ILE A 225 -5.979 -3.413 0.390 1.00 0.00 O ATOM 80 CB ILE A 225 -8.249 -5.418 1.747 1.00 0.00 C ATOM 81 CG1 ILE A 225 -9.723 -5.505 2.202 1.00 0.00 C ATOM 82 CG2 ILE A 225 -7.316 -6.290 2.607 1.00 0.00 C ATOM 83 CD1 ILE A 225 -10.144 -6.885 2.663 1.00 0.00 C ATOM 0 H ILE A 225 -8.222 -3.547 -0.318 1.00 0.00 H new ATOM 0 HA ILE A 225 -8.164 -3.531 2.695 1.00 0.00 H new ATOM 0 HB ILE A 225 -8.112 -5.837 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -9.884 -4.797 3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -10.366 -5.196 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -7.649 -7.327 2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -6.298 -6.221 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -7.340 -5.940 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -11.191 -6.864 2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -10.017 -7.596 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -9.528 -7.190 3.509 1.00 0.00 H new ATOM 95 N PRO A 226 -5.588 -3.420 2.598 1.00 0.00 N ATOM 96 CA PRO A 226 -4.182 -3.066 2.451 1.00 0.00 C ATOM 97 C PRO A 226 -3.304 -4.302 2.228 1.00 0.00 C ATOM 98 O PRO A 226 -3.745 -5.435 2.437 1.00 0.00 O ATOM 99 CB PRO A 226 -3.821 -2.348 3.744 1.00 0.00 C ATOM 100 CG PRO A 226 -4.700 -3.043 4.790 1.00 0.00 C ATOM 101 CD PRO A 226 -5.918 -3.564 4.010 1.00 0.00 C ATOM 0 HA PRO A 226 -4.014 -2.438 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 226 -2.761 -2.449 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 226 -4.034 -1.281 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 226 -4.164 -3.859 5.275 1.00 0.00 H new ATOM 0 HG3 PRO A 226 -5.002 -2.349 5.575 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -6.123 -4.606 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -6.813 -2.995 4.261 1.00 0.00 H new ATOM 109 N ASP A 227 -2.044 -4.076 1.850 1.00 0.00 N ATOM 110 CA ASP A 227 -1.087 -5.131 1.510 1.00 0.00 C ATOM 111 C ASP A 227 -0.045 -5.289 2.634 1.00 0.00 C ATOM 112 O ASP A 227 0.727 -4.355 2.871 1.00 0.00 O ATOM 113 CB ASP A 227 -0.419 -4.833 0.161 1.00 0.00 C ATOM 114 CG ASP A 227 0.344 -6.049 -0.376 1.00 0.00 C ATOM 115 OD1 ASP A 227 0.823 -6.900 0.404 1.00 0.00 O ATOM 116 OD2 ASP A 227 0.429 -6.187 -1.619 1.00 0.00 O ATOM 0 H ASP A 227 -1.653 -3.137 1.770 1.00 0.00 H new ATOM 0 HA ASP A 227 -1.620 -6.077 1.414 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -1.177 -4.531 -0.562 1.00 0.00 H new ATOM 0 HB3 ASP A 227 0.267 -3.993 0.272 1.00 0.00 H new ATOM 121 N PRO A 228 -0.055 -6.402 3.392 1.00 0.00 N ATOM 122 CA PRO A 228 0.905 -6.689 4.456 1.00 0.00 C ATOM 123 C PRO A 228 2.135 -7.462 3.965 1.00 0.00 C ATOM 124 O PRO A 228 3.127 -7.546 4.692 1.00 0.00 O ATOM 125 CB PRO A 228 0.119 -7.563 5.434 1.00 0.00 C ATOM 126 CG PRO A 228 -0.780 -8.385 4.514 1.00 0.00 C ATOM 127 CD PRO A 228 -1.134 -7.370 3.434 1.00 0.00 C ATOM 0 HA PRO A 228 1.292 -5.765 4.885 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.778 -8.198 6.027 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -0.461 -6.963 6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.262 -9.253 4.105 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -1.664 -8.756 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 228 -1.250 -7.860 2.467 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -2.082 -6.881 3.660 1.00 0.00 H new ATOM 135 N ASP A 229 2.064 -8.072 2.777 1.00 0.00 N ATOM 136 CA ASP A 229 3.239 -8.724 2.171 1.00 0.00 C ATOM 137 C ASP A 229 4.278 -7.656 1.884 1.00 0.00 C ATOM 138 O ASP A 229 5.437 -7.773 2.287 1.00 0.00 O ATOM 139 CB ASP A 229 2.917 -9.467 0.861 1.00 0.00 C ATOM 140 CG ASP A 229 4.053 -10.409 0.425 1.00 0.00 C ATOM 141 OD1 ASP A 229 5.136 -9.978 -0.041 1.00 0.00 O ATOM 142 OD2 ASP A 229 3.829 -11.634 0.562 1.00 0.00 O ATOM 0 H ASP A 229 1.214 -8.130 2.216 1.00 0.00 H new ATOM 0 HA ASP A 229 3.601 -9.471 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.000 -10.043 0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 229 2.729 -8.740 0.071 1.00 0.00 H new ATOM 147 N ALA A 230 3.828 -6.610 1.190 1.00 0.00 N ATOM 148 CA ALA A 230 4.641 -5.509 0.727 1.00 0.00 C ATOM 149 C ALA A 230 5.439 -4.893 1.872 1.00 0.00 C ATOM 150 O ALA A 230 4.920 -4.674 2.969 1.00 0.00 O ATOM 151 CB ALA A 230 3.717 -4.460 0.112 1.00 0.00 C ATOM 0 H ALA A 230 2.847 -6.513 0.930 1.00 0.00 H new ATOM 0 HA ALA A 230 5.354 -5.873 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 230 4.310 -3.618 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 230 3.172 -4.900 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 230 3.009 -4.112 0.865 1.00 0.00 H new ATOM 157 N LYS A 231 6.676 -4.495 1.578 1.00 0.00 N ATOM 158 CA LYS A 231 7.536 -3.744 2.483 1.00 0.00 C ATOM 159 C LYS A 231 8.185 -2.596 1.726 1.00 0.00 C ATOM 160 O LYS A 231 8.274 -2.636 0.493 1.00 0.00 O ATOM 161 CB LYS A 231 8.614 -4.672 3.061 1.00 0.00 C ATOM 162 CG LYS A 231 8.078 -5.569 4.191 1.00 0.00 C ATOM 163 CD LYS A 231 8.833 -5.332 5.503 1.00 0.00 C ATOM 164 CE LYS A 231 8.524 -3.950 6.097 1.00 0.00 C ATOM 165 NZ LYS A 231 9.349 -3.699 7.293 1.00 0.00 N ATOM 0 H LYS A 231 7.117 -4.693 0.680 1.00 0.00 H new ATOM 0 HA LYS A 231 6.941 -3.341 3.303 1.00 0.00 H new ATOM 0 HB2 LYS A 231 9.015 -5.298 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.441 -4.071 3.440 1.00 0.00 H new ATOM 0 HG2 LYS A 231 7.016 -5.372 4.340 1.00 0.00 H new ATOM 0 HG3 LYS A 231 8.170 -6.616 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 231 8.563 -6.105 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 231 9.905 -5.420 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 231 8.712 -3.178 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 231 7.468 -3.889 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 9.124 -2.760 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 9.150 -4.425 8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 10.356 -3.735 7.034 1.00 0.00 H new ATOM 179 N LYS A 232 8.656 -1.596 2.482 1.00 0.00 N ATOM 180 CA LYS A 232 9.591 -0.576 2.030 1.00 0.00 C ATOM 181 C LYS A 232 10.622 -1.188 1.079 1.00 0.00 C ATOM 182 O LYS A 232 11.262 -2.170 1.468 1.00 0.00 O ATOM 183 CB LYS A 232 10.320 0.030 3.224 1.00 0.00 C ATOM 184 CG LYS A 232 9.467 0.960 4.090 1.00 0.00 C ATOM 185 CD LYS A 232 10.334 1.637 5.165 1.00 0.00 C ATOM 186 CE LYS A 232 10.337 3.159 5.007 1.00 0.00 C ATOM 187 NZ LYS A 232 9.336 3.798 5.880 1.00 0.00 N ATOM 0 H LYS A 232 8.383 -1.477 3.458 1.00 0.00 H new ATOM 0 HA LYS A 232 9.029 0.199 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 232 10.700 -0.778 3.849 1.00 0.00 H new ATOM 0 HB3 LYS A 232 11.184 0.586 2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 232 8.994 1.718 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 232 8.666 0.393 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 232 9.960 1.374 6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 232 11.355 1.261 5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 232 11.328 3.548 5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 232 10.132 3.418 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 8.705 4.394 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 8.777 3.065 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 9.819 4.387 6.589 1.00 0.00 H new ATOM 201 N PRO A 233 10.806 -0.637 -0.128 1.00 0.00 N ATOM 202 CA PRO A 233 11.839 -1.115 -1.027 1.00 0.00 C ATOM 203 C PRO A 233 13.220 -1.107 -0.371 1.00 0.00 C ATOM 204 O PRO A 233 13.585 -0.201 0.381 1.00 0.00 O ATOM 205 CB PRO A 233 11.779 -0.217 -2.269 1.00 0.00 C ATOM 206 CG PRO A 233 10.513 0.629 -2.139 1.00 0.00 C ATOM 207 CD PRO A 233 10.005 0.426 -0.715 1.00 0.00 C ATOM 0 HA PRO A 233 11.667 -2.157 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 233 12.663 0.417 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 233 11.752 -0.816 -3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 233 10.727 1.681 -2.329 1.00 0.00 H new ATOM 0 HG3 PRO A 233 9.763 0.320 -2.867 1.00 0.00 H new ATOM 0 HD2 PRO A 233 10.100 1.345 -0.137 1.00 0.00 H new ATOM 0 HD3 PRO A 233 8.949 0.158 -0.716 1.00 0.00 H new ATOM 215 N GLU A 234 14.050 -2.066 -0.757 1.00 0.00 N ATOM 216 CA GLU A 234 15.481 -2.058 -0.482 1.00 0.00 C ATOM 217 C GLU A 234 16.193 -0.894 -1.186 1.00 0.00 C ATOM 218 O GLU A 234 17.307 -0.525 -0.812 1.00 0.00 O ATOM 219 CB GLU A 234 16.035 -3.398 -0.962 1.00 0.00 C ATOM 220 CG GLU A 234 15.961 -4.445 0.148 1.00 0.00 C ATOM 221 CD GLU A 234 16.711 -5.705 -0.255 1.00 0.00 C ATOM 222 OE1 GLU A 234 17.963 -5.655 -0.323 1.00 0.00 O ATOM 223 OE2 GLU A 234 16.062 -6.760 -0.443 1.00 0.00 O ATOM 0 H GLU A 234 13.743 -2.886 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 234 15.654 -1.920 0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.470 -3.740 -1.829 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.069 -3.275 -1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 234 16.386 -4.040 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 234 14.919 -4.687 0.359 1.00 0.00 H new ATOM 230 N ASP A 235 15.537 -0.301 -2.180 1.00 0.00 N ATOM 231 CA ASP A 235 15.967 0.873 -2.933 1.00 0.00 C ATOM 232 C ASP A 235 15.246 2.128 -2.411 1.00 0.00 C ATOM 233 O ASP A 235 15.301 3.177 -3.046 1.00 0.00 O ATOM 234 CB ASP A 235 15.672 0.637 -4.429 1.00 0.00 C ATOM 235 CG ASP A 235 16.785 -0.093 -5.182 1.00 0.00 C ATOM 236 OD1 ASP A 235 17.503 -0.947 -4.606 1.00 0.00 O ATOM 237 OD2 ASP A 235 16.892 0.143 -6.410 1.00 0.00 O ATOM 0 H ASP A 235 14.634 -0.650 -2.501 1.00 0.00 H new ATOM 0 HA ASP A 235 17.038 1.032 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 235 14.750 0.062 -4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 235 15.495 1.600 -4.909 1.00 0.00 H new ATOM 242 N TRP A 236 14.492 2.038 -1.307 1.00 0.00 N ATOM 243 CA TRP A 236 13.772 3.163 -0.732 1.00 0.00 C ATOM 244 C TRP A 236 14.710 4.180 -0.099 1.00 0.00 C ATOM 245 O TRP A 236 15.762 3.822 0.443 1.00 0.00 O ATOM 246 CB TRP A 236 12.765 2.680 0.313 1.00 0.00 C ATOM 247 CG TRP A 236 11.801 3.726 0.759 1.00 0.00 C ATOM 248 CD1 TRP A 236 11.723 4.241 2.003 1.00 0.00 C ATOM 249 CD2 TRP A 236 10.853 4.474 -0.051 1.00 0.00 C ATOM 250 NE1 TRP A 236 10.780 5.249 2.022 1.00 0.00 N ATOM 251 CE2 TRP A 236 10.205 5.427 0.784 1.00 0.00 C ATOM 252 CE3 TRP A 236 10.503 4.458 -1.417 1.00 0.00 C ATOM 253 CZ2 TRP A 236 9.192 6.267 0.305 1.00 0.00 C ATOM 254 CZ3 TRP A 236 9.524 5.344 -1.916 1.00 0.00 C ATOM 255 CH2 TRP A 236 8.850 6.222 -1.052 1.00 0.00 C ATOM 0 H TRP A 236 14.369 1.168 -0.788 1.00 0.00 H new ATOM 0 HA TRP A 236 13.245 3.653 -1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 236 12.207 1.838 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 236 13.309 2.309 1.181 1.00 0.00 H new ATOM 0 HD1 TRP A 236 12.307 3.916 2.851 1.00 0.00 H new ATOM 0 HE1 TRP A 236 10.539 5.794 2.850 1.00 0.00 H new ATOM 0 HE3 TRP A 236 10.988 3.763 -2.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 8.680 6.942 0.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 9.292 5.347 -2.971 1.00 0.00 H new ATOM 0 HH2 TRP A 236 8.068 6.862 -1.434 1.00 0.00 H new ATOM 266 N ASP A 237 14.237 5.426 -0.073 1.00 0.00 N ATOM 267 CA ASP A 237 14.990 6.610 0.274 1.00 0.00 C ATOM 268 C ASP A 237 14.153 7.433 1.250 1.00 0.00 C ATOM 269 O ASP A 237 13.466 8.370 0.848 1.00 0.00 O ATOM 270 CB ASP A 237 15.286 7.439 -0.988 1.00 0.00 C ATOM 271 CG ASP A 237 16.117 6.759 -2.063 1.00 0.00 C ATOM 272 OD1 ASP A 237 17.189 6.194 -1.760 1.00 0.00 O ATOM 273 OD2 ASP A 237 15.753 6.916 -3.248 1.00 0.00 O ATOM 0 H ASP A 237 13.267 5.637 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 237 15.940 6.330 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 237 14.336 7.740 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 237 15.800 8.351 -0.685 1.00 0.00 H new ATOM 278 N GLU A 238 14.176 7.112 2.546 1.00 0.00 N ATOM 279 CA GLU A 238 13.428 7.895 3.545 1.00 0.00 C ATOM 280 C GLU A 238 13.921 9.351 3.574 1.00 0.00 C ATOM 281 O GLU A 238 13.172 10.270 3.901 1.00 0.00 O ATOM 282 CB GLU A 238 13.516 7.259 4.946 1.00 0.00 C ATOM 283 CG GLU A 238 13.061 5.793 4.954 1.00 0.00 C ATOM 284 CD GLU A 238 13.008 5.176 6.353 1.00 0.00 C ATOM 285 OE1 GLU A 238 14.020 4.600 6.812 1.00 0.00 O ATOM 286 OE2 GLU A 238 11.898 5.131 6.928 1.00 0.00 O ATOM 0 H GLU A 238 14.698 6.324 2.930 1.00 0.00 H new ATOM 0 HA GLU A 238 12.379 7.892 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 238 14.543 7.319 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 238 12.901 7.831 5.641 1.00 0.00 H new ATOM 0 HG2 GLU A 238 12.073 5.725 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 238 13.739 5.207 4.333 1.00 0.00 H new ATOM 293 N GLU A 239 15.176 9.578 3.183 1.00 0.00 N ATOM 294 CA GLU A 239 15.846 10.869 3.244 1.00 0.00 C ATOM 295 C GLU A 239 15.519 11.762 2.034 1.00 0.00 C ATOM 296 O GLU A 239 15.786 12.967 2.069 1.00 0.00 O ATOM 297 CB GLU A 239 17.353 10.586 3.379 1.00 0.00 C ATOM 298 CG GLU A 239 18.119 11.604 4.236 1.00 0.00 C ATOM 299 CD GLU A 239 18.666 12.794 3.447 1.00 0.00 C ATOM 300 OE1 GLU A 239 19.451 12.566 2.494 1.00 0.00 O ATOM 301 OE2 GLU A 239 18.444 13.970 3.814 1.00 0.00 O ATOM 0 H GLU A 239 15.770 8.841 2.803 1.00 0.00 H new ATOM 0 HA GLU A 239 15.491 11.438 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 239 17.486 9.594 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 239 17.796 10.562 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 239 17.458 11.974 5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 239 18.948 11.097 4.730 1.00 0.00 H new ATOM 308 N MET A 240 14.898 11.193 0.996 1.00 0.00 N ATOM 309 CA MET A 240 14.398 11.912 -0.180 1.00 0.00 C ATOM 310 C MET A 240 12.882 11.928 -0.191 1.00 0.00 C ATOM 311 O MET A 240 12.275 12.921 -0.595 1.00 0.00 O ATOM 312 CB MET A 240 14.849 11.233 -1.479 1.00 0.00 C ATOM 313 CG MET A 240 16.156 11.768 -2.068 1.00 0.00 C ATOM 314 SD MET A 240 16.038 13.323 -3.011 1.00 0.00 S ATOM 315 CE MET A 240 16.420 14.551 -1.733 1.00 0.00 C ATOM 0 H MET A 240 14.724 10.189 0.950 1.00 0.00 H new ATOM 0 HA MET A 240 14.798 12.924 -0.123 1.00 0.00 H new ATOM 0 HB2 MET A 240 14.962 10.165 -1.293 1.00 0.00 H new ATOM 0 HB3 MET A 240 14.060 11.345 -2.223 1.00 0.00 H new ATOM 0 HG2 MET A 240 16.864 11.915 -1.253 1.00 0.00 H new ATOM 0 HG3 MET A 240 16.576 11.003 -2.721 1.00 0.00 H new ATOM 0 HE1 MET A 240 16.946 15.393 -2.183 1.00 0.00 H new ATOM 0 HE2 MET A 240 15.494 14.903 -1.278 1.00 0.00 H new ATOM 0 HE3 MET A 240 17.050 14.096 -0.968 1.00 0.00 H new ATOM 325 N ASP A 241 12.269 10.812 0.181 1.00 0.00 N ATOM 326 CA ASP A 241 10.838 10.616 0.098 1.00 0.00 C ATOM 327 C ASP A 241 10.254 10.665 1.501 1.00 0.00 C ATOM 328 O ASP A 241 9.736 11.711 1.888 1.00 0.00 O ATOM 329 CB ASP A 241 10.492 9.353 -0.693 1.00 0.00 C ATOM 330 CG ASP A 241 9.202 9.618 -1.448 1.00 0.00 C ATOM 331 OD1 ASP A 241 8.095 9.541 -0.879 1.00 0.00 O ATOM 332 OD2 ASP A 241 9.318 10.033 -2.623 1.00 0.00 O ATOM 0 H ASP A 241 12.768 10.005 0.556 1.00 0.00 H new ATOM 0 HA ASP A 241 10.374 11.422 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 241 11.296 9.104 -1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 241 10.374 8.502 -0.022 1.00 0.00 H new ATOM 337 N GLY A 242 10.435 9.625 2.316 1.00 0.00 N ATOM 338 CA GLY A 242 9.947 9.582 3.693 1.00 0.00 C ATOM 339 C GLY A 242 9.140 8.319 3.944 1.00 0.00 C ATOM 340 O GLY A 242 9.577 7.220 3.596 1.00 0.00 O ATOM 0 H GLY A 242 10.931 8.779 2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 242 10.790 9.623 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 242 9.330 10.458 3.892 1.00 0.00 H new ATOM 344 N GLU A 243 7.980 8.464 4.577 1.00 0.00 N ATOM 345 CA GLU A 243 7.040 7.418 4.871 1.00 0.00 C ATOM 346 C GLU A 243 6.349 6.970 3.588 1.00 0.00 C ATOM 347 O GLU A 243 5.350 7.537 3.133 1.00 0.00 O ATOM 348 CB GLU A 243 6.046 7.907 5.920 1.00 0.00 C ATOM 349 CG GLU A 243 6.426 7.475 7.333 1.00 0.00 C ATOM 350 CD GLU A 243 5.277 7.726 8.298 1.00 0.00 C ATOM 351 OE1 GLU A 243 4.983 8.901 8.607 1.00 0.00 O ATOM 352 OE2 GLU A 243 4.693 6.735 8.803 1.00 0.00 O ATOM 0 H GLU A 243 7.664 9.374 4.913 1.00 0.00 H new ATOM 0 HA GLU A 243 7.557 6.551 5.283 1.00 0.00 H new ATOM 0 HB2 GLU A 243 5.987 8.995 5.880 1.00 0.00 H new ATOM 0 HB3 GLU A 243 5.054 7.524 5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 243 6.687 6.417 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 243 7.310 8.023 7.661 1.00 0.00 H new ATOM 359 N TRP A 244 6.910 5.903 3.043 1.00 0.00 N ATOM 360 CA TRP A 244 6.273 4.972 2.138 1.00 0.00 C ATOM 361 C TRP A 244 4.929 4.496 2.705 1.00 0.00 C ATOM 362 O TRP A 244 4.799 4.308 3.919 1.00 0.00 O ATOM 363 CB TRP A 244 7.251 3.799 2.021 1.00 0.00 C ATOM 364 CG TRP A 244 6.834 2.630 1.208 1.00 0.00 C ATOM 365 CD1 TRP A 244 6.818 2.565 -0.139 1.00 0.00 C ATOM 366 CD2 TRP A 244 6.399 1.331 1.691 1.00 0.00 C ATOM 367 NE1 TRP A 244 6.367 1.319 -0.518 1.00 0.00 N ATOM 368 CE2 TRP A 244 6.078 0.523 0.568 1.00 0.00 C ATOM 369 CE3 TRP A 244 6.289 0.743 2.967 1.00 0.00 C ATOM 370 CZ2 TRP A 244 5.588 -0.782 0.706 1.00 0.00 C ATOM 371 CZ3 TRP A 244 5.861 -0.586 3.114 1.00 0.00 C ATOM 372 CH2 TRP A 244 5.433 -1.318 1.994 1.00 0.00 C ATOM 0 H TRP A 244 7.880 5.653 3.235 1.00 0.00 H new ATOM 0 HA TRP A 244 6.059 5.427 1.171 1.00 0.00 H new ATOM 0 HB2 TRP A 244 8.184 4.181 1.605 1.00 0.00 H new ATOM 0 HB3 TRP A 244 7.472 3.445 3.028 1.00 0.00 H new ATOM 0 HD1 TRP A 244 7.111 3.359 -0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 244 6.260 1.022 -1.488 1.00 0.00 H new ATOM 0 HE3 TRP A 244 6.537 1.323 3.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 5.333 -1.367 -0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 5.861 -1.047 4.091 1.00 0.00 H new ATOM 0 HH2 TRP A 244 4.985 -2.292 2.124 1.00 0.00 H new ATOM 383 N GLU A 245 3.965 4.207 1.833 1.00 0.00 N ATOM 384 CA GLU A 245 2.749 3.461 2.132 1.00 0.00 C ATOM 385 C GLU A 245 2.721 2.236 1.203 1.00 0.00 C ATOM 386 O GLU A 245 2.979 2.367 -0.001 1.00 0.00 O ATOM 387 CB GLU A 245 1.494 4.345 2.004 1.00 0.00 C ATOM 388 CG GLU A 245 0.133 3.628 2.178 1.00 0.00 C ATOM 389 CD GLU A 245 -1.037 4.187 1.352 1.00 0.00 C ATOM 390 OE1 GLU A 245 -0.890 4.449 0.134 1.00 0.00 O ATOM 391 OE2 GLU A 245 -2.187 4.173 1.852 1.00 0.00 O ATOM 0 H GLU A 245 4.014 4.500 0.857 1.00 0.00 H new ATOM 0 HA GLU A 245 2.747 3.125 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 245 1.559 5.142 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.508 4.820 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.264 2.577 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 245 -0.142 3.666 3.232 1.00 0.00 H new ATOM 398 N PRO A 246 2.413 1.042 1.737 1.00 0.00 N ATOM 399 CA PRO A 246 2.240 -0.159 0.935 1.00 0.00 C ATOM 400 C PRO A 246 1.090 -0.003 -0.057 1.00 0.00 C ATOM 401 O PRO A 246 0.210 0.845 0.128 1.00 0.00 O ATOM 402 CB PRO A 246 1.944 -1.311 1.905 1.00 0.00 C ATOM 403 CG PRO A 246 1.925 -0.697 3.302 1.00 0.00 C ATOM 404 CD PRO A 246 2.081 0.812 3.130 1.00 0.00 C ATOM 0 HA PRO A 246 3.141 -0.352 0.353 1.00 0.00 H new ATOM 0 HB2 PRO A 246 0.988 -1.780 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 246 2.706 -2.087 1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 246 0.992 -0.932 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 246 2.733 -1.101 3.912 1.00 0.00 H new ATOM 0 HD2 PRO A 246 1.160 1.329 3.398 1.00 0.00 H new ATOM 0 HD3 PRO A 246 2.864 1.197 3.783 1.00 0.00 H new ATOM 412 N PRO A 247 1.017 -0.860 -1.080 1.00 0.00 N ATOM 413 CA PRO A 247 -0.156 -0.941 -1.921 1.00 0.00 C ATOM 414 C PRO A 247 -1.375 -1.469 -1.157 1.00 0.00 C ATOM 415 O PRO A 247 -1.393 -1.663 0.068 1.00 0.00 O ATOM 416 CB PRO A 247 0.221 -1.856 -3.088 1.00 0.00 C ATOM 417 CG PRO A 247 1.386 -2.697 -2.565 1.00 0.00 C ATOM 418 CD PRO A 247 1.960 -1.924 -1.380 1.00 0.00 C ATOM 0 HA PRO A 247 -0.449 0.047 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 247 -0.619 -2.485 -3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 247 0.513 -1.278 -3.965 1.00 0.00 H new ATOM 0 HG2 PRO A 247 1.047 -3.687 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 247 2.140 -2.844 -3.338 1.00 0.00 H new ATOM 0 HD2 PRO A 247 2.092 -2.578 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 247 2.941 -1.515 -1.623 1.00 0.00 H new ATOM 426 N VAL A 248 -2.438 -1.656 -1.919 1.00 0.00 N ATOM 427 CA VAL A 248 -3.676 -2.242 -1.495 1.00 0.00 C ATOM 428 C VAL A 248 -3.972 -3.436 -2.402 1.00 0.00 C ATOM 429 O VAL A 248 -3.163 -3.797 -3.271 1.00 0.00 O ATOM 430 CB VAL A 248 -4.748 -1.148 -1.554 1.00 0.00 C ATOM 431 CG1 VAL A 248 -4.468 -0.017 -0.550 1.00 0.00 C ATOM 432 CG2 VAL A 248 -4.967 -0.542 -2.943 1.00 0.00 C ATOM 0 H VAL A 248 -2.451 -1.385 -2.902 1.00 0.00 H new ATOM 0 HA VAL A 248 -3.643 -2.618 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 248 -5.668 -1.668 -1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 248 -5.251 0.738 -0.624 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -4.451 -0.424 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 248 -3.503 0.438 -0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -5.742 0.222 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -4.038 -0.092 -3.294 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -5.276 -1.324 -3.636 1.00 0.00 H new ATOM 442 N ILE A 249 -5.119 -4.064 -2.172 1.00 0.00 N ATOM 443 CA ILE A 249 -5.654 -5.192 -2.889 1.00 0.00 C ATOM 444 C ILE A 249 -7.139 -4.866 -3.094 1.00 0.00 C ATOM 445 O ILE A 249 -7.752 -4.151 -2.284 1.00 0.00 O ATOM 446 CB ILE A 249 -5.354 -6.515 -2.118 1.00 0.00 C ATOM 447 CG1 ILE A 249 -6.252 -6.777 -0.896 1.00 0.00 C ATOM 448 CG2 ILE A 249 -3.877 -6.557 -1.661 1.00 0.00 C ATOM 449 CD1 ILE A 249 -6.140 -8.203 -0.340 1.00 0.00 C ATOM 0 H ILE A 249 -5.739 -3.767 -1.419 1.00 0.00 H new ATOM 0 HA ILE A 249 -5.195 -5.360 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.571 -7.303 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.994 -6.069 -0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.289 -6.584 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.688 -7.487 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.225 -6.501 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.676 -5.712 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.802 -8.311 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -6.427 -8.918 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.112 -8.394 -0.033 1.00 0.00 H new ATOM 461 N GLN A 250 -7.728 -5.364 -4.183 1.00 0.00 N ATOM 462 CA GLN A 250 -9.179 -5.351 -4.355 1.00 0.00 C ATOM 463 C GLN A 250 -9.778 -6.169 -3.212 1.00 0.00 C ATOM 464 O GLN A 250 -9.198 -7.175 -2.797 1.00 0.00 O ATOM 465 CB GLN A 250 -9.564 -5.837 -5.766 1.00 0.00 C ATOM 466 CG GLN A 250 -9.482 -7.346 -6.067 1.00 0.00 C ATOM 467 CD GLN A 250 -10.713 -8.127 -5.598 1.00 0.00 C ATOM 468 OE1 GLN A 250 -10.614 -9.021 -4.764 1.00 0.00 O ATOM 469 NE2 GLN A 250 -11.890 -7.821 -6.119 1.00 0.00 N ATOM 0 H GLN A 250 -7.218 -5.783 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 250 -9.591 -4.343 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -10.587 -5.514 -5.961 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -8.925 -5.320 -6.482 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -9.358 -7.489 -7.140 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -8.595 -7.757 -5.586 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -11.963 -7.076 -6.812 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -12.725 -8.330 -5.828 1.00 0.00 H new ATOM 478 N ASN A 251 -10.903 -5.726 -2.655 1.00 0.00 N ATOM 479 CA ASN A 251 -11.479 -6.446 -1.532 1.00 0.00 C ATOM 480 C ASN A 251 -12.248 -7.649 -2.085 1.00 0.00 C ATOM 481 O ASN A 251 -13.213 -7.435 -2.829 1.00 0.00 O ATOM 482 CB ASN A 251 -12.413 -5.555 -0.713 1.00 0.00 C ATOM 483 CG ASN A 251 -12.895 -6.262 0.547 1.00 0.00 C ATOM 484 OD1 ASN A 251 -12.825 -7.471 0.710 1.00 0.00 O ATOM 485 ND2 ASN A 251 -13.383 -5.528 1.516 1.00 0.00 N ATOM 0 H ASN A 251 -11.418 -4.898 -2.954 1.00 0.00 H new ATOM 0 HA ASN A 251 -10.681 -6.772 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -11.894 -4.636 -0.440 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -13.271 -5.268 -1.322 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -13.694 -5.968 2.382 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -13.452 -4.516 1.404 1.00 0.00 H new ATOM 492 N PRO A 252 -11.901 -8.894 -1.714 1.00 0.00 N ATOM 493 CA PRO A 252 -12.635 -10.064 -2.167 1.00 0.00 C ATOM 494 C PRO A 252 -14.095 -10.053 -1.690 1.00 0.00 C ATOM 495 O PRO A 252 -14.970 -10.550 -2.404 1.00 0.00 O ATOM 496 CB PRO A 252 -11.856 -11.264 -1.622 1.00 0.00 C ATOM 497 CG PRO A 252 -11.151 -10.709 -0.394 1.00 0.00 C ATOM 498 CD PRO A 252 -10.811 -9.290 -0.832 1.00 0.00 C ATOM 0 HA PRO A 252 -12.705 -10.095 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -12.520 -12.089 -1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -11.144 -11.645 -2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -11.795 -10.720 0.485 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -10.259 -11.282 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -10.734 -8.621 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -9.853 -9.256 -1.350 1.00 0.00 H new ATOM 506 N GLU A 253 -14.399 -9.438 -0.545 1.00 0.00 N ATOM 507 CA GLU A 253 -15.677 -9.470 0.162 1.00 0.00 C ATOM 508 C GLU A 253 -15.986 -8.057 0.681 1.00 0.00 C ATOM 509 O GLU A 253 -16.201 -7.832 1.875 1.00 0.00 O ATOM 510 CB GLU A 253 -15.604 -10.496 1.305 1.00 0.00 C ATOM 511 CG GLU A 253 -15.483 -11.945 0.815 1.00 0.00 C ATOM 512 CD GLU A 253 -15.290 -12.934 1.967 1.00 0.00 C ATOM 513 OE1 GLU A 253 -15.827 -12.730 3.082 1.00 0.00 O ATOM 514 OE2 GLU A 253 -14.573 -13.942 1.765 1.00 0.00 O ATOM 0 H GLU A 253 -13.711 -8.866 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 253 -16.483 -9.776 -0.505 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -14.749 -10.262 1.939 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -16.496 -10.403 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -16.379 -12.213 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -14.642 -12.024 0.126 1.00 0.00 H new ATOM 521 N TYR A 254 -15.972 -7.074 -0.222 1.00 0.00 N ATOM 522 CA TYR A 254 -16.382 -5.712 0.098 1.00 0.00 C ATOM 523 C TYR A 254 -17.793 -5.729 0.672 1.00 0.00 C ATOM 524 O TYR A 254 -18.736 -6.199 0.026 1.00 0.00 O ATOM 525 CB TYR A 254 -16.270 -4.787 -1.120 1.00 0.00 C ATOM 526 CG TYR A 254 -16.962 -3.444 -0.953 1.00 0.00 C ATOM 527 CD1 TYR A 254 -16.716 -2.633 0.176 1.00 0.00 C ATOM 528 CD2 TYR A 254 -17.869 -3.010 -1.937 1.00 0.00 C ATOM 529 CE1 TYR A 254 -17.357 -1.385 0.303 1.00 0.00 C ATOM 530 CE2 TYR A 254 -18.508 -1.766 -1.820 1.00 0.00 C ATOM 531 CZ TYR A 254 -18.243 -0.940 -0.705 1.00 0.00 C ATOM 532 OH TYR A 254 -18.815 0.291 -0.615 1.00 0.00 O ATOM 0 H TYR A 254 -15.677 -7.202 -1.190 1.00 0.00 H new ATOM 0 HA TYR A 254 -15.706 -5.307 0.851 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -15.215 -4.615 -1.334 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -16.693 -5.295 -1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -16.035 -2.970 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -18.075 -3.640 -2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -17.172 -0.768 1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -19.201 -1.441 -2.581 1.00 0.00 H new ATOM 0 HH TYR A 254 -19.396 0.439 -1.390 1.00 0.00 H new ATOM 542 N LYS A 255 -17.919 -5.188 1.887 1.00 0.00 N ATOM 543 CA LYS A 255 -19.167 -4.938 2.582 1.00 0.00 C ATOM 544 C LYS A 255 -20.025 -6.188 2.800 1.00 0.00 C ATOM 545 O LYS A 255 -21.250 -6.076 2.956 1.00 0.00 O ATOM 546 CB LYS A 255 -19.887 -3.800 1.854 1.00 0.00 C ATOM 547 CG LYS A 255 -20.650 -2.920 2.844 1.00 0.00 C ATOM 548 CD LYS A 255 -20.388 -1.442 2.546 1.00 0.00 C ATOM 549 CE LYS A 255 -21.101 -0.549 3.564 1.00 0.00 C ATOM 550 NZ LYS A 255 -20.332 -0.436 4.820 1.00 0.00 N ATOM 0 H LYS A 255 -17.107 -4.901 2.433 1.00 0.00 H new ATOM 0 HA LYS A 255 -18.953 -4.629 3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -19.163 -3.196 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -20.578 -4.212 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -21.718 -3.128 2.779 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -20.341 -3.154 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -19.316 -1.246 2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -20.733 -1.202 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -21.250 0.443 3.137 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -22.089 -0.956 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -20.844 0.176 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -20.211 -1.380 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -19.398 -0.024 4.620 1.00 0.00 H new ATOM 564 N GLY A 256 -19.404 -7.370 2.819 1.00 0.00 N ATOM 565 CA GLY A 256 -20.086 -8.566 3.288 1.00 0.00 C ATOM 566 C GLY A 256 -20.512 -8.395 4.737 1.00 0.00 C ATOM 567 O GLY A 256 -21.444 -9.101 5.172 1.00 0.00 O ATOM 0 H GLY A 256 -18.441 -7.518 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -20.959 -8.763 2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -19.427 -9.429 3.195 1.00 0.00 H new TER 571 GLY A 256