USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=3 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 HIS : no HD1:sc= -0.0092 X(o=-0.0092,f=-0.33) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0251) USER MOD Single : A 240 MET CE :methyl 165:sc= -0.0606 (180deg=-0.512) USER MOD Single : A 250 GLN : amide:sc= -0.4 X(o=-0.4,f=-0.1) USER MOD Single : A 251 ASN : amide:sc= 0.619 K(o=0.62,f=-9.2!) 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 -16.995 -2.698 9.240 1.00 0.00 N ATOM 2 CA GLY A 220 -17.059 -4.057 8.718 1.00 0.00 C ATOM 3 C GLY A 220 -16.039 -4.208 7.619 1.00 0.00 C ATOM 4 O GLY A 220 -14.845 -3.971 7.828 1.00 0.00 O ATOM 0 HA2 GLY A 220 -16.864 -4.776 9.514 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -18.058 -4.267 8.336 1.00 0.00 H new ATOM 8 N LYS A 221 -16.494 -4.652 6.453 1.00 0.00 N ATOM 9 CA LYS A 221 -15.648 -4.821 5.285 1.00 0.00 C ATOM 10 C LYS A 221 -15.450 -3.457 4.612 1.00 0.00 C ATOM 11 O LYS A 221 -16.449 -2.784 4.354 1.00 0.00 O ATOM 12 CB LYS A 221 -16.216 -5.842 4.295 1.00 0.00 C ATOM 13 CG LYS A 221 -17.727 -6.106 4.330 1.00 0.00 C ATOM 14 CD LYS A 221 -18.124 -7.375 3.565 1.00 0.00 C ATOM 15 CE LYS A 221 -19.487 -7.885 4.030 1.00 0.00 C ATOM 16 NZ LYS A 221 -19.822 -9.172 3.396 1.00 0.00 N ATOM 0 H LYS A 221 -17.469 -4.906 6.294 1.00 0.00 H new ATOM 0 HA LYS A 221 -14.686 -5.216 5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -15.956 -5.513 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -15.706 -6.791 4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -18.052 -6.195 5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -18.251 -5.251 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -18.154 -7.166 2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -17.370 -8.148 3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -19.484 -8.001 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -20.254 -7.149 3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -20.753 -9.492 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -19.848 -9.054 2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -19.102 -9.880 3.645 1.00 0.00 H new ATOM 30 N PRO A 222 -14.202 -3.041 4.354 1.00 0.00 N ATOM 31 CA PRO A 222 -13.895 -1.762 3.740 1.00 0.00 C ATOM 32 C PRO A 222 -14.069 -1.803 2.228 1.00 0.00 C ATOM 33 O PRO A 222 -14.429 -2.823 1.643 1.00 0.00 O ATOM 34 CB PRO A 222 -12.435 -1.483 4.095 1.00 0.00 C ATOM 35 CG PRO A 222 -11.812 -2.864 4.292 1.00 0.00 C ATOM 36 CD PRO A 222 -12.985 -3.779 4.641 1.00 0.00 C ATOM 0 HA PRO A 222 -14.569 -0.985 4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -11.933 -0.932 3.300 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -12.356 -0.880 5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -11.304 -3.201 3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -11.069 -2.852 5.090 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -12.944 -4.698 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -12.949 -4.068 5.691 1.00 0.00 H new ATOM 44 N GLU A 223 -13.755 -0.676 1.603 1.00 0.00 N ATOM 45 CA GLU A 223 -13.523 -0.541 0.172 1.00 0.00 C ATOM 46 C GLU A 223 -12.271 -1.332 -0.236 1.00 0.00 C ATOM 47 O GLU A 223 -12.349 -2.226 -1.074 1.00 0.00 O ATOM 48 CB GLU A 223 -13.467 0.960 -0.176 1.00 0.00 C ATOM 49 CG GLU A 223 -12.342 1.756 0.509 1.00 0.00 C ATOM 50 CD GLU A 223 -12.798 3.145 0.941 1.00 0.00 C ATOM 51 OE1 GLU A 223 -12.693 4.125 0.168 1.00 0.00 O ATOM 52 OE2 GLU A 223 -13.200 3.278 2.122 1.00 0.00 O ATOM 0 H GLU A 223 -13.651 0.207 2.102 1.00 0.00 H new ATOM 0 HA GLU A 223 -14.339 -0.972 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -13.355 1.061 -1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -14.422 1.413 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -11.988 1.205 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -11.498 1.849 -0.174 1.00 0.00 H new ATOM 59 N HIS A 224 -11.119 -1.054 0.384 1.00 0.00 N ATOM 60 CA HIS A 224 -9.840 -1.665 0.056 1.00 0.00 C ATOM 61 C HIS A 224 -9.237 -2.282 1.310 1.00 0.00 C ATOM 62 O HIS A 224 -9.384 -1.751 2.416 1.00 0.00 O ATOM 63 CB HIS A 224 -8.888 -0.625 -0.551 1.00 0.00 C ATOM 64 CG HIS A 224 -9.460 0.130 -1.720 1.00 0.00 C ATOM 65 ND1 HIS A 224 -9.453 1.496 -1.880 1.00 0.00 N ATOM 66 CD2 HIS A 224 -10.177 -0.411 -2.750 1.00 0.00 C ATOM 67 CE1 HIS A 224 -10.201 1.773 -2.956 1.00 0.00 C ATOM 68 NE2 HIS A 224 -10.646 0.644 -3.544 1.00 0.00 N ATOM 0 H HIS A 224 -11.056 -0.380 1.147 1.00 0.00 H new ATOM 0 HA HIS A 224 -9.996 -2.449 -0.685 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -8.606 0.088 0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -7.975 -1.128 -0.870 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -10.351 -1.463 -2.921 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -10.419 2.771 -3.307 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -11.208 0.573 -4.392 1.00 0.00 H new ATOM 76 N ILE A 225 -8.521 -3.383 1.123 1.00 0.00 N ATOM 77 CA ILE A 225 -7.806 -4.115 2.160 1.00 0.00 C ATOM 78 C ILE A 225 -6.325 -3.884 1.871 1.00 0.00 C ATOM 79 O ILE A 225 -5.974 -3.753 0.702 1.00 0.00 O ATOM 80 CB ILE A 225 -8.288 -5.580 2.131 1.00 0.00 C ATOM 81 CG1 ILE A 225 -9.681 -5.560 2.799 1.00 0.00 C ATOM 82 CG2 ILE A 225 -7.328 -6.584 2.788 1.00 0.00 C ATOM 83 CD1 ILE A 225 -10.174 -6.918 3.262 1.00 0.00 C ATOM 0 H ILE A 225 -8.418 -3.809 0.202 1.00 0.00 H new ATOM 0 HA ILE A 225 -7.992 -3.786 3.182 1.00 0.00 H new ATOM 0 HB ILE A 225 -8.330 -5.942 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -9.650 -4.887 3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -10.402 -5.146 2.094 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -7.749 -7.587 2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -6.367 -6.558 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -7.186 -6.320 3.836 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -11.158 -6.812 3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -10.241 -7.591 2.408 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -9.477 -7.328 3.993 1.00 0.00 H new ATOM 95 N PRO A 226 -5.450 -3.745 2.875 1.00 0.00 N ATOM 96 CA PRO A 226 -4.065 -3.426 2.600 1.00 0.00 C ATOM 97 C PRO A 226 -3.308 -4.682 2.181 1.00 0.00 C ATOM 98 O PRO A 226 -3.763 -5.804 2.410 1.00 0.00 O ATOM 99 CB PRO A 226 -3.524 -2.847 3.890 1.00 0.00 C ATOM 100 CG PRO A 226 -4.313 -3.603 4.964 1.00 0.00 C ATOM 101 CD PRO A 226 -5.652 -3.955 4.300 1.00 0.00 C ATOM 0 HA PRO A 226 -3.955 -2.718 1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 226 -2.451 -3.011 3.987 1.00 0.00 H new ATOM 0 HB3 PRO A 226 -3.689 -1.771 3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 226 -3.783 -4.500 5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 226 -4.462 -2.987 5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -5.933 -4.987 4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -6.455 -3.323 4.679 1.00 0.00 H new ATOM 109 N ASP A 227 -2.118 -4.482 1.630 1.00 0.00 N ATOM 110 CA ASP A 227 -1.239 -5.551 1.154 1.00 0.00 C ATOM 111 C ASP A 227 -0.298 -5.943 2.299 1.00 0.00 C ATOM 112 O ASP A 227 0.535 -5.120 2.701 1.00 0.00 O ATOM 113 CB ASP A 227 -0.457 -5.079 -0.080 1.00 0.00 C ATOM 114 CG ASP A 227 0.488 -6.145 -0.655 1.00 0.00 C ATOM 115 OD1 ASP A 227 0.569 -7.268 -0.111 1.00 0.00 O ATOM 116 OD2 ASP A 227 1.158 -5.839 -1.673 1.00 0.00 O ATOM 0 H ASP A 227 -1.724 -3.551 1.497 1.00 0.00 H new ATOM 0 HA ASP A 227 -1.821 -6.423 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -1.163 -4.777 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 227 0.124 -4.195 0.185 1.00 0.00 H new ATOM 121 N PRO A 228 -0.456 -7.123 2.921 1.00 0.00 N ATOM 122 CA PRO A 228 0.368 -7.555 4.041 1.00 0.00 C ATOM 123 C PRO A 228 1.664 -8.230 3.572 1.00 0.00 C ATOM 124 O PRO A 228 2.558 -8.461 4.390 1.00 0.00 O ATOM 125 CB PRO A 228 -0.522 -8.537 4.798 1.00 0.00 C ATOM 126 CG PRO A 228 -1.306 -9.218 3.677 1.00 0.00 C ATOM 127 CD PRO A 228 -1.422 -8.158 2.587 1.00 0.00 C ATOM 0 HA PRO A 228 0.693 -6.717 4.658 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.064 -9.253 5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -1.181 -8.027 5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.787 -10.105 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -2.288 -9.542 4.021 1.00 0.00 H new ATOM 0 HD2 PRO A 228 -1.212 -8.584 1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -2.432 -7.750 2.547 1.00 0.00 H new ATOM 135 N ASP A 229 1.800 -8.556 2.284 1.00 0.00 N ATOM 136 CA ASP A 229 3.044 -9.080 1.723 1.00 0.00 C ATOM 137 C ASP A 229 4.031 -7.941 1.484 1.00 0.00 C ATOM 138 O ASP A 229 5.223 -8.189 1.306 1.00 0.00 O ATOM 139 CB ASP A 229 2.801 -9.821 0.405 1.00 0.00 C ATOM 140 CG ASP A 229 2.004 -11.102 0.615 1.00 0.00 C ATOM 141 OD1 ASP A 229 2.583 -12.093 1.107 1.00 0.00 O ATOM 142 OD2 ASP A 229 0.792 -11.155 0.304 1.00 0.00 O ATOM 0 H ASP A 229 1.048 -8.463 1.601 1.00 0.00 H new ATOM 0 HA ASP A 229 3.457 -9.786 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.266 -9.169 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.758 -10.060 -0.059 1.00 0.00 H new ATOM 147 N ALA A 230 3.566 -6.690 1.495 1.00 0.00 N ATOM 148 CA ALA A 230 4.391 -5.551 1.153 1.00 0.00 C ATOM 149 C ALA A 230 5.442 -5.279 2.224 1.00 0.00 C ATOM 150 O ALA A 230 5.131 -5.205 3.418 1.00 0.00 O ATOM 151 CB ALA A 230 3.488 -4.339 0.929 1.00 0.00 C ATOM 0 H ALA A 230 2.606 -6.448 1.742 1.00 0.00 H new ATOM 0 HA ALA A 230 4.938 -5.765 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 230 4.098 -3.474 0.670 1.00 0.00 H new ATOM 0 HB2 ALA A 230 2.793 -4.549 0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 230 2.928 -4.129 1.840 1.00 0.00 H new ATOM 157 N LYS A 231 6.680 -5.029 1.792 1.00 0.00 N ATOM 158 CA LYS A 231 7.763 -4.515 2.622 1.00 0.00 C ATOM 159 C LYS A 231 8.408 -3.353 1.898 1.00 0.00 C ATOM 160 O LYS A 231 8.651 -3.463 0.693 1.00 0.00 O ATOM 161 CB LYS A 231 8.818 -5.592 2.927 1.00 0.00 C ATOM 162 CG LYS A 231 8.278 -6.677 3.871 1.00 0.00 C ATOM 163 CD LYS A 231 9.324 -7.206 4.863 1.00 0.00 C ATOM 164 CE LYS A 231 9.671 -6.141 5.912 1.00 0.00 C ATOM 165 NZ LYS A 231 10.603 -6.645 6.940 1.00 0.00 N ATOM 0 H LYS A 231 6.961 -5.185 0.824 1.00 0.00 H new ATOM 0 HA LYS A 231 7.348 -4.195 3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 231 9.145 -6.053 1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.694 -5.124 3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 231 7.432 -6.274 4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 231 7.900 -7.509 3.276 1.00 0.00 H new ATOM 0 HD2 LYS A 231 8.943 -8.099 5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.225 -7.500 4.325 1.00 0.00 H new ATOM 0 HE2 LYS A 231 10.114 -5.277 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 231 8.755 -5.797 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.806 -5.889 7.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 10.172 -7.453 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 11.488 -6.949 6.487 1.00 0.00 H new ATOM 179 N LYS A 232 8.676 -2.263 2.631 1.00 0.00 N ATOM 180 CA LYS A 232 9.290 -1.063 2.066 1.00 0.00 C ATOM 181 C LYS A 232 10.521 -1.408 1.226 1.00 0.00 C ATOM 182 O LYS A 232 11.252 -2.338 1.595 1.00 0.00 O ATOM 183 CB LYS A 232 9.587 -0.010 3.153 1.00 0.00 C ATOM 184 CG LYS A 232 11.016 0.009 3.693 1.00 0.00 C ATOM 185 CD LYS A 232 11.031 0.905 4.934 1.00 0.00 C ATOM 186 CE LYS A 232 12.439 1.213 5.415 1.00 0.00 C ATOM 187 NZ LYS A 232 13.229 -0.001 5.681 1.00 0.00 N ATOM 0 H LYS A 232 8.472 -2.193 3.628 1.00 0.00 H new ATOM 0 HA LYS A 232 8.568 -0.608 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 232 9.360 0.976 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 232 8.906 -0.176 3.988 1.00 0.00 H new ATOM 0 HG2 LYS A 232 11.343 -1.000 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 232 11.705 0.388 2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 232 10.515 1.839 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 232 10.475 0.418 5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 232 12.950 1.817 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 232 12.385 1.812 6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 14.121 0.260 6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 12.688 -0.638 6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 13.437 -0.484 4.783 1.00 0.00 H new ATOM 201 N PRO A 233 10.776 -0.667 0.137 1.00 0.00 N ATOM 202 CA PRO A 233 11.929 -0.920 -0.703 1.00 0.00 C ATOM 203 C PRO A 233 13.203 -0.857 0.134 1.00 0.00 C ATOM 204 O PRO A 233 13.420 0.098 0.885 1.00 0.00 O ATOM 205 CB PRO A 233 11.920 0.150 -1.801 1.00 0.00 C ATOM 206 CG PRO A 233 10.512 0.746 -1.756 1.00 0.00 C ATOM 207 CD PRO A 233 10.007 0.469 -0.346 1.00 0.00 C ATOM 0 HA PRO A 233 11.893 -1.913 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 233 12.678 0.912 -1.617 1.00 0.00 H new ATOM 0 HB3 PRO A 233 12.135 -0.284 -2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 233 10.530 1.816 -1.965 1.00 0.00 H new ATOM 0 HG3 PRO A 233 9.865 0.286 -2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 233 10.148 1.338 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 233 8.940 0.245 -0.350 1.00 0.00 H new ATOM 215 N GLU A 234 14.102 -1.815 -0.061 1.00 0.00 N ATOM 216 CA GLU A 234 15.437 -1.830 0.539 1.00 0.00 C ATOM 217 C GLU A 234 16.303 -0.648 0.070 1.00 0.00 C ATOM 218 O GLU A 234 17.426 -0.484 0.540 1.00 0.00 O ATOM 219 CB GLU A 234 16.129 -3.171 0.217 1.00 0.00 C ATOM 220 CG GLU A 234 16.501 -3.981 1.471 1.00 0.00 C ATOM 221 CD GLU A 234 17.948 -4.474 1.428 1.00 0.00 C ATOM 222 OE1 GLU A 234 18.351 -5.198 0.492 1.00 0.00 O ATOM 223 OE2 GLU A 234 18.733 -4.124 2.334 1.00 0.00 O ATOM 0 H GLU A 234 13.921 -2.624 -0.655 1.00 0.00 H new ATOM 0 HA GLU A 234 15.321 -1.724 1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.470 -3.770 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.032 -2.976 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 234 16.355 -3.364 2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 234 15.830 -4.835 1.563 1.00 0.00 H new ATOM 230 N ASP A 235 15.803 0.165 -0.861 1.00 0.00 N ATOM 231 CA ASP A 235 16.461 1.344 -1.419 1.00 0.00 C ATOM 232 C ASP A 235 15.751 2.650 -1.054 1.00 0.00 C ATOM 233 O ASP A 235 16.238 3.711 -1.435 1.00 0.00 O ATOM 234 CB ASP A 235 16.506 1.203 -2.945 1.00 0.00 C ATOM 235 CG ASP A 235 17.902 1.426 -3.494 1.00 0.00 C ATOM 236 OD1 ASP A 235 18.766 0.546 -3.232 1.00 0.00 O ATOM 237 OD2 ASP A 235 18.111 2.370 -4.276 1.00 0.00 O ATOM 0 H ASP A 235 14.880 0.010 -1.266 1.00 0.00 H new ATOM 0 HA ASP A 235 17.463 1.396 -0.994 1.00 0.00 H new ATOM 0 HB2 ASP A 235 16.159 0.209 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 235 15.820 1.920 -3.396 1.00 0.00 H new ATOM 242 N TRP A 236 14.597 2.569 -0.377 1.00 0.00 N ATOM 243 CA TRP A 236 13.652 3.659 -0.180 1.00 0.00 C ATOM 244 C TRP A 236 14.311 4.911 0.386 1.00 0.00 C ATOM 245 O TRP A 236 15.160 4.849 1.282 1.00 0.00 O ATOM 246 CB TRP A 236 12.521 3.180 0.733 1.00 0.00 C ATOM 247 CG TRP A 236 11.427 4.170 0.972 1.00 0.00 C ATOM 248 CD1 TRP A 236 11.180 4.794 2.143 1.00 0.00 C ATOM 249 CD2 TRP A 236 10.445 4.700 0.034 1.00 0.00 C ATOM 250 NE1 TRP A 236 10.160 5.710 1.987 1.00 0.00 N ATOM 251 CE2 TRP A 236 9.611 5.626 0.728 1.00 0.00 C ATOM 252 CE3 TRP A 236 10.186 4.504 -1.337 1.00 0.00 C ATOM 253 CZ2 TRP A 236 8.524 6.262 0.110 1.00 0.00 C ATOM 254 CZ3 TRP A 236 9.116 5.162 -1.978 1.00 0.00 C ATOM 255 CH2 TRP A 236 8.271 6.021 -1.251 1.00 0.00 C ATOM 0 H TRP A 236 14.291 1.702 0.064 1.00 0.00 H new ATOM 0 HA TRP A 236 13.251 3.940 -1.154 1.00 0.00 H new ATOM 0 HB2 TRP A 236 12.085 2.279 0.301 1.00 0.00 H new ATOM 0 HB3 TRP A 236 12.949 2.897 1.695 1.00 0.00 H new ATOM 0 HD1 TRP A 236 11.705 4.604 3.068 1.00 0.00 H new ATOM 0 HE1 TRP A 236 9.854 6.362 2.709 1.00 0.00 H new ATOM 0 HE3 TRP A 236 10.818 3.839 -1.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 7.889 6.929 0.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 8.944 5.006 -3.033 1.00 0.00 H new ATOM 0 HH2 TRP A 236 7.431 6.494 -1.738 1.00 0.00 H new ATOM 266 N ASP A 237 13.872 6.057 -0.128 1.00 0.00 N ATOM 267 CA ASP A 237 14.576 7.319 0.017 1.00 0.00 C ATOM 268 C ASP A 237 13.711 8.264 0.840 1.00 0.00 C ATOM 269 O ASP A 237 13.028 9.143 0.315 1.00 0.00 O ATOM 270 CB ASP A 237 14.926 7.892 -1.361 1.00 0.00 C ATOM 271 CG ASP A 237 15.945 7.047 -2.117 1.00 0.00 C ATOM 272 OD1 ASP A 237 17.165 7.224 -1.876 1.00 0.00 O ATOM 273 OD2 ASP A 237 15.549 6.288 -3.022 1.00 0.00 O ATOM 0 H ASP A 237 13.007 6.132 -0.663 1.00 0.00 H new ATOM 0 HA ASP A 237 15.520 7.175 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 237 14.016 7.973 -1.956 1.00 0.00 H new ATOM 0 HB3 ASP A 237 15.318 8.902 -1.239 1.00 0.00 H new ATOM 278 N GLU A 238 13.722 8.077 2.156 1.00 0.00 N ATOM 279 CA GLU A 238 12.921 8.868 3.093 1.00 0.00 C ATOM 280 C GLU A 238 13.335 10.349 3.087 1.00 0.00 C ATOM 281 O GLU A 238 12.584 11.209 3.549 1.00 0.00 O ATOM 282 CB GLU A 238 13.036 8.273 4.500 1.00 0.00 C ATOM 283 CG GLU A 238 12.510 6.833 4.559 1.00 0.00 C ATOM 284 CD GLU A 238 12.695 6.160 5.920 1.00 0.00 C ATOM 285 OE1 GLU A 238 13.847 6.093 6.418 1.00 0.00 O ATOM 286 OE2 GLU A 238 11.727 5.555 6.423 1.00 0.00 O ATOM 0 H GLU A 238 14.293 7.364 2.610 1.00 0.00 H new ATOM 0 HA GLU A 238 11.880 8.828 2.772 1.00 0.00 H new ATOM 0 HB2 GLU A 238 14.079 8.292 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 238 12.478 8.892 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 238 11.450 6.833 4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 238 13.019 6.240 3.799 1.00 0.00 H new ATOM 293 N GLU A 239 14.501 10.679 2.527 1.00 0.00 N ATOM 294 CA GLU A 239 15.006 12.042 2.364 1.00 0.00 C ATOM 295 C GLU A 239 14.527 12.679 1.045 1.00 0.00 C ATOM 296 O GLU A 239 14.804 13.848 0.774 1.00 0.00 O ATOM 297 CB GLU A 239 16.543 12.014 2.459 1.00 0.00 C ATOM 298 CG GLU A 239 17.137 13.049 3.423 1.00 0.00 C ATOM 299 CD GLU A 239 17.339 14.432 2.803 1.00 0.00 C ATOM 300 OE1 GLU A 239 18.396 14.627 2.153 1.00 0.00 O ATOM 301 OE2 GLU A 239 16.496 15.330 3.016 1.00 0.00 O ATOM 0 H GLU A 239 15.143 9.976 2.161 1.00 0.00 H new ATOM 0 HA GLU A 239 14.607 12.669 3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 239 16.857 11.019 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 239 16.959 12.180 1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 239 16.481 13.142 4.289 1.00 0.00 H new ATOM 0 HG3 GLU A 239 18.096 12.682 3.788 1.00 0.00 H new ATOM 308 N MET A 240 13.785 11.926 0.227 1.00 0.00 N ATOM 309 CA MET A 240 13.268 12.332 -1.081 1.00 0.00 C ATOM 310 C MET A 240 11.762 12.138 -1.182 1.00 0.00 C ATOM 311 O MET A 240 11.106 12.786 -2.005 1.00 0.00 O ATOM 312 CB MET A 240 13.902 11.486 -2.195 1.00 0.00 C ATOM 313 CG MET A 240 14.871 12.247 -3.109 1.00 0.00 C ATOM 314 SD MET A 240 14.138 13.209 -4.470 1.00 0.00 S ATOM 315 CE MET A 240 13.596 14.723 -3.642 1.00 0.00 C ATOM 0 H MET A 240 13.517 10.973 0.471 1.00 0.00 H new ATOM 0 HA MET A 240 13.515 13.388 -1.193 1.00 0.00 H new ATOM 0 HB2 MET A 240 14.435 10.651 -1.739 1.00 0.00 H new ATOM 0 HB3 MET A 240 13.106 11.061 -2.807 1.00 0.00 H new ATOM 0 HG2 MET A 240 15.457 12.927 -2.491 1.00 0.00 H new ATOM 0 HG3 MET A 240 15.567 11.527 -3.539 1.00 0.00 H new ATOM 0 HE1 MET A 240 13.381 15.489 -4.388 1.00 0.00 H new ATOM 0 HE2 MET A 240 12.696 14.518 -3.062 1.00 0.00 H new ATOM 0 HE3 MET A 240 14.384 15.076 -2.976 1.00 0.00 H new ATOM 325 N ASP A 241 11.214 11.189 -0.429 1.00 0.00 N ATOM 326 CA ASP A 241 9.814 10.832 -0.476 1.00 0.00 C ATOM 327 C ASP A 241 9.180 11.171 0.871 1.00 0.00 C ATOM 328 O ASP A 241 8.547 12.221 1.012 1.00 0.00 O ATOM 329 CB ASP A 241 9.610 9.376 -0.912 1.00 0.00 C ATOM 330 CG ASP A 241 8.220 9.221 -1.522 1.00 0.00 C ATOM 331 OD1 ASP A 241 7.220 9.121 -0.778 1.00 0.00 O ATOM 332 OD2 ASP A 241 8.142 9.238 -2.773 1.00 0.00 O ATOM 0 H ASP A 241 11.749 10.639 0.243 1.00 0.00 H new ATOM 0 HA ASP A 241 9.303 11.416 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 241 10.372 9.092 -1.638 1.00 0.00 H new ATOM 0 HB3 ASP A 241 9.720 8.710 -0.057 1.00 0.00 H new ATOM 337 N GLY A 242 9.440 10.350 1.886 1.00 0.00 N ATOM 338 CA GLY A 242 8.831 10.422 3.201 1.00 0.00 C ATOM 339 C GLY A 242 8.551 9.010 3.703 1.00 0.00 C ATOM 340 O GLY A 242 9.202 8.054 3.276 1.00 0.00 O ATOM 0 H GLY A 242 10.110 9.586 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 242 9.493 10.942 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 242 7.905 10.995 3.155 1.00 0.00 H new ATOM 344 N GLU A 243 7.591 8.867 4.615 1.00 0.00 N ATOM 345 CA GLU A 243 7.088 7.607 5.104 1.00 0.00 C ATOM 346 C GLU A 243 6.459 6.830 3.949 1.00 0.00 C ATOM 347 O GLU A 243 5.449 7.264 3.382 1.00 0.00 O ATOM 348 CB GLU A 243 6.040 7.925 6.172 1.00 0.00 C ATOM 349 CG GLU A 243 6.660 8.100 7.560 1.00 0.00 C ATOM 350 CD GLU A 243 5.660 8.757 8.501 1.00 0.00 C ATOM 351 OE1 GLU A 243 5.525 10.003 8.424 1.00 0.00 O ATOM 352 OE2 GLU A 243 5.031 8.058 9.330 1.00 0.00 O ATOM 0 H GLU A 243 7.129 9.668 5.045 1.00 0.00 H new ATOM 0 HA GLU A 243 7.885 6.996 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 243 5.508 8.836 5.896 1.00 0.00 H new ATOM 0 HB3 GLU A 243 5.303 7.123 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 243 6.962 7.131 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 243 7.560 8.710 7.490 1.00 0.00 H new ATOM 359 N TRP A 244 7.043 5.678 3.622 1.00 0.00 N ATOM 360 CA TRP A 244 6.489 4.719 2.676 1.00 0.00 C ATOM 361 C TRP A 244 5.075 4.309 3.115 1.00 0.00 C ATOM 362 O TRP A 244 4.808 4.192 4.317 1.00 0.00 O ATOM 363 CB TRP A 244 7.417 3.496 2.663 1.00 0.00 C ATOM 364 CG TRP A 244 6.980 2.355 1.807 1.00 0.00 C ATOM 365 CD1 TRP A 244 6.953 2.339 0.456 1.00 0.00 C ATOM 366 CD2 TRP A 244 6.525 1.038 2.231 1.00 0.00 C ATOM 367 NE1 TRP A 244 6.457 1.127 0.022 1.00 0.00 N ATOM 368 CE2 TRP A 244 6.151 0.294 1.076 1.00 0.00 C ATOM 369 CE3 TRP A 244 6.454 0.373 3.473 1.00 0.00 C ATOM 370 CZ2 TRP A 244 5.635 -1.006 1.161 1.00 0.00 C ATOM 371 CZ3 TRP A 244 6.006 -0.956 3.564 1.00 0.00 C ATOM 372 CH2 TRP A 244 5.542 -1.622 2.420 1.00 0.00 C ATOM 0 H TRP A 244 7.935 5.382 4.018 1.00 0.00 H new ATOM 0 HA TRP A 244 6.420 5.155 1.679 1.00 0.00 H new ATOM 0 HB2 TRP A 244 8.404 3.817 2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 244 7.526 3.136 3.686 1.00 0.00 H new ATOM 0 HD1 TRP A 244 7.270 3.149 -0.184 1.00 0.00 H new ATOM 0 HE1 TRP A 244 6.332 0.878 -0.959 1.00 0.00 H new ATOM 0 HE3 TRP A 244 6.750 0.895 4.371 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 5.313 -1.527 0.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 6.019 -1.465 4.516 1.00 0.00 H new ATOM 0 HH2 TRP A 244 5.113 -2.609 2.507 1.00 0.00 H new ATOM 383 N GLU A 245 4.182 4.015 2.172 1.00 0.00 N ATOM 384 CA GLU A 245 2.889 3.372 2.417 1.00 0.00 C ATOM 385 C GLU A 245 2.967 1.974 1.791 1.00 0.00 C ATOM 386 O GLU A 245 3.582 1.836 0.730 1.00 0.00 O ATOM 387 CB GLU A 245 1.739 4.205 1.809 1.00 0.00 C ATOM 388 CG GLU A 245 1.663 4.096 0.277 1.00 0.00 C ATOM 389 CD GLU A 245 0.580 4.939 -0.386 1.00 0.00 C ATOM 390 OE1 GLU A 245 -0.590 4.901 0.056 1.00 0.00 O ATOM 391 OE2 GLU A 245 0.863 5.501 -1.471 1.00 0.00 O ATOM 0 H GLU A 245 4.341 4.223 1.186 1.00 0.00 H new ATOM 0 HA GLU A 245 2.681 3.298 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 245 0.793 3.876 2.239 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.869 5.251 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 245 2.629 4.383 -0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 245 1.500 3.051 0.012 1.00 0.00 H new ATOM 398 N PRO A 246 2.351 0.932 2.365 1.00 0.00 N ATOM 399 CA PRO A 246 2.096 -0.273 1.604 1.00 0.00 C ATOM 400 C PRO A 246 0.951 -0.034 0.607 1.00 0.00 C ATOM 401 O PRO A 246 0.089 0.817 0.855 1.00 0.00 O ATOM 402 CB PRO A 246 1.715 -1.345 2.618 1.00 0.00 C ATOM 403 CG PRO A 246 1.206 -0.559 3.828 1.00 0.00 C ATOM 404 CD PRO A 246 1.600 0.905 3.601 1.00 0.00 C ATOM 0 HA PRO A 246 2.969 -0.576 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 246 0.946 -2.010 2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 246 2.571 -1.967 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 246 0.125 -0.658 3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 246 1.646 -0.940 4.750 1.00 0.00 H new ATOM 0 HD2 PRO A 246 0.717 1.540 3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 246 2.200 1.280 4.430 1.00 0.00 H new ATOM 412 N PRO A 247 0.875 -0.840 -0.460 1.00 0.00 N ATOM 413 CA PRO A 247 -0.268 -0.864 -1.360 1.00 0.00 C ATOM 414 C PRO A 247 -1.541 -1.407 -0.687 1.00 0.00 C ATOM 415 O PRO A 247 -1.574 -1.703 0.519 1.00 0.00 O ATOM 416 CB PRO A 247 0.141 -1.776 -2.518 1.00 0.00 C ATOM 417 CG PRO A 247 1.602 -2.159 -2.298 1.00 0.00 C ATOM 418 CD PRO A 247 1.835 -1.867 -0.826 1.00 0.00 C ATOM 0 HA PRO A 247 -0.513 0.147 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 247 -0.489 -2.665 -2.548 1.00 0.00 H new ATOM 0 HB3 PRO A 247 0.017 -1.265 -3.473 1.00 0.00 H new ATOM 0 HG2 PRO A 247 1.780 -3.209 -2.531 1.00 0.00 H new ATOM 0 HG3 PRO A 247 2.269 -1.575 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 247 1.694 -2.765 -0.224 1.00 0.00 H new ATOM 0 HD3 PRO A 247 2.856 -1.525 -0.654 1.00 0.00 H new ATOM 426 N VAL A 248 -2.601 -1.563 -1.483 1.00 0.00 N ATOM 427 CA VAL A 248 -3.838 -2.204 -1.138 1.00 0.00 C ATOM 428 C VAL A 248 -4.236 -3.209 -2.215 1.00 0.00 C ATOM 429 O VAL A 248 -3.605 -3.298 -3.265 1.00 0.00 O ATOM 430 CB VAL A 248 -4.902 -1.127 -0.965 1.00 0.00 C ATOM 431 CG1 VAL A 248 -4.522 -0.123 0.128 1.00 0.00 C ATOM 432 CG2 VAL A 248 -5.253 -0.364 -2.245 1.00 0.00 C ATOM 0 H VAL A 248 -2.602 -1.218 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 248 -3.729 -2.758 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 248 -5.793 -1.682 -0.672 1.00 0.00 H new ATOM 0 HG11 VAL A 248 -5.306 0.628 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -4.406 -0.645 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 248 -3.583 0.363 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -6.018 0.381 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -4.362 0.132 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -5.630 -1.062 -2.993 1.00 0.00 H new ATOM 442 N ILE A 249 -5.310 -3.944 -1.962 1.00 0.00 N ATOM 443 CA ILE A 249 -5.897 -4.955 -2.801 1.00 0.00 C ATOM 444 C ILE A 249 -7.383 -4.608 -2.892 1.00 0.00 C ATOM 445 O ILE A 249 -7.962 -4.036 -1.960 1.00 0.00 O ATOM 446 CB ILE A 249 -5.610 -6.369 -2.220 1.00 0.00 C ATOM 447 CG1 ILE A 249 -6.465 -6.748 -0.985 1.00 0.00 C ATOM 448 CG2 ILE A 249 -4.113 -6.494 -1.859 1.00 0.00 C ATOM 449 CD1 ILE A 249 -6.385 -8.228 -0.592 1.00 0.00 C ATOM 0 H ILE A 249 -5.828 -3.832 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 249 -5.472 -4.978 -3.805 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.889 -7.069 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -6.146 -6.141 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.506 -6.493 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.918 -7.487 -1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.509 -6.343 -2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.854 -5.740 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -7.012 -8.407 0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -6.733 -8.844 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.353 -8.487 -0.356 1.00 0.00 H new ATOM 461 N GLN A 250 -8.013 -5.003 -3.992 1.00 0.00 N ATOM 462 CA GLN A 250 -9.457 -5.049 -4.118 1.00 0.00 C ATOM 463 C GLN A 250 -9.964 -5.932 -2.987 1.00 0.00 C ATOM 464 O GLN A 250 -9.477 -7.050 -2.811 1.00 0.00 O ATOM 465 CB GLN A 250 -9.892 -5.523 -5.520 1.00 0.00 C ATOM 466 CG GLN A 250 -9.618 -7.002 -5.887 1.00 0.00 C ATOM 467 CD GLN A 250 -10.692 -8.013 -5.455 1.00 0.00 C ATOM 468 OE1 GLN A 250 -10.400 -9.123 -5.006 1.00 0.00 O ATOM 469 NE2 GLN A 250 -11.970 -7.710 -5.639 1.00 0.00 N ATOM 0 H GLN A 250 -7.522 -5.305 -4.834 1.00 0.00 H new ATOM 0 HA GLN A 250 -9.898 -4.057 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -10.963 -5.344 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -9.394 -4.895 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -9.496 -7.071 -6.968 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -8.669 -7.297 -5.440 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -12.229 -6.796 -6.010 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -12.694 -8.391 -5.410 1.00 0.00 H new ATOM 478 N ASN A 251 -10.876 -5.421 -2.165 1.00 0.00 N ATOM 479 CA ASN A 251 -11.360 -6.204 -1.043 1.00 0.00 C ATOM 480 C ASN A 251 -12.122 -7.413 -1.608 1.00 0.00 C ATOM 481 O ASN A 251 -13.109 -7.212 -2.327 1.00 0.00 O ATOM 482 CB ASN A 251 -12.256 -5.353 -0.143 1.00 0.00 C ATOM 483 CG ASN A 251 -12.902 -6.138 0.991 1.00 0.00 C ATOM 484 OD1 ASN A 251 -12.712 -7.330 1.180 1.00 0.00 O ATOM 485 ND2 ASN A 251 -13.738 -5.504 1.775 1.00 0.00 N ATOM 0 H ASN A 251 -11.284 -4.490 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 251 -10.528 -6.548 -0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -11.665 -4.540 0.279 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -13.038 -4.897 -0.750 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -14.215 -6.006 2.524 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -13.912 -4.509 1.636 1.00 0.00 H new ATOM 492 N PRO A 252 -11.735 -8.658 -1.276 1.00 0.00 N ATOM 493 CA PRO A 252 -12.379 -9.862 -1.793 1.00 0.00 C ATOM 494 C PRO A 252 -13.833 -10.044 -1.333 1.00 0.00 C ATOM 495 O PRO A 252 -14.513 -10.952 -1.814 1.00 0.00 O ATOM 496 CB PRO A 252 -11.489 -11.021 -1.339 1.00 0.00 C ATOM 497 CG PRO A 252 -10.816 -10.489 -0.078 1.00 0.00 C ATOM 498 CD PRO A 252 -10.613 -9.021 -0.418 1.00 0.00 C ATOM 0 HA PRO A 252 -12.466 -9.803 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -12.074 -11.918 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -10.757 -11.286 -2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -11.443 -10.620 0.804 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -9.872 -10.995 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -10.595 -8.409 0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -9.663 -8.865 -0.928 1.00 0.00 H new ATOM 506 N GLU A 253 -14.355 -9.194 -0.450 1.00 0.00 N ATOM 507 CA GLU A 253 -15.774 -8.927 -0.312 1.00 0.00 C ATOM 508 C GLU A 253 -15.872 -7.508 0.247 1.00 0.00 C ATOM 509 O GLU A 253 -16.028 -7.294 1.450 1.00 0.00 O ATOM 510 CB GLU A 253 -16.486 -9.998 0.549 1.00 0.00 C ATOM 511 CG GLU A 253 -17.505 -10.786 -0.294 1.00 0.00 C ATOM 512 CD GLU A 253 -18.220 -11.869 0.518 1.00 0.00 C ATOM 513 OE1 GLU A 253 -17.557 -12.593 1.299 1.00 0.00 O ATOM 514 OE2 GLU A 253 -19.464 -11.962 0.420 1.00 0.00 O ATOM 0 H GLU A 253 -13.782 -8.661 0.204 1.00 0.00 H new ATOM 0 HA GLU A 253 -16.298 -8.987 -1.266 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -15.749 -10.682 0.970 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -16.993 -9.520 1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -18.243 -10.097 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -16.994 -11.247 -1.139 1.00 0.00 H new ATOM 521 N TYR A 254 -15.726 -6.519 -0.632 1.00 0.00 N ATOM 522 CA TYR A 254 -16.295 -5.197 -0.388 1.00 0.00 C ATOM 523 C TYR A 254 -17.821 -5.331 -0.406 1.00 0.00 C ATOM 524 O TYR A 254 -18.371 -6.242 -1.033 1.00 0.00 O ATOM 525 CB TYR A 254 -15.764 -4.212 -1.441 1.00 0.00 C ATOM 526 CG TYR A 254 -16.586 -2.960 -1.660 1.00 0.00 C ATOM 527 CD1 TYR A 254 -16.778 -2.032 -0.619 1.00 0.00 C ATOM 528 CD2 TYR A 254 -17.112 -2.710 -2.938 1.00 0.00 C ATOM 529 CE1 TYR A 254 -17.465 -0.833 -0.874 1.00 0.00 C ATOM 530 CE2 TYR A 254 -17.797 -1.516 -3.201 1.00 0.00 C ATOM 531 CZ TYR A 254 -17.963 -0.568 -2.171 1.00 0.00 C ATOM 532 OH TYR A 254 -18.575 0.609 -2.453 1.00 0.00 O ATOM 0 H TYR A 254 -15.222 -6.607 -1.514 1.00 0.00 H new ATOM 0 HA TYR A 254 -16.002 -4.801 0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -14.756 -3.914 -1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -15.682 -4.738 -2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -16.399 -2.241 0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -16.988 -3.442 -3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -17.613 -0.115 -0.081 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -18.195 -1.323 -4.186 1.00 0.00 H new ATOM 0 HH TYR A 254 -18.852 0.617 -3.393 1.00 0.00 H new ATOM 542 N LYS A 255 -18.525 -4.418 0.269 1.00 0.00 N ATOM 543 CA LYS A 255 -19.977 -4.373 0.289 1.00 0.00 C ATOM 544 C LYS A 255 -20.434 -2.930 0.129 1.00 0.00 C ATOM 545 O LYS A 255 -20.747 -2.541 -0.993 1.00 0.00 O ATOM 546 CB LYS A 255 -20.470 -5.065 1.562 1.00 0.00 C ATOM 547 CG LYS A 255 -21.934 -5.504 1.468 1.00 0.00 C ATOM 548 CD LYS A 255 -22.070 -7.009 1.191 1.00 0.00 C ATOM 549 CE LYS A 255 -23.485 -7.519 1.495 1.00 0.00 C ATOM 550 NZ LYS A 255 -23.623 -8.966 1.219 1.00 0.00 N ATOM 0 H LYS A 255 -18.089 -3.681 0.823 1.00 0.00 H new ATOM 0 HA LYS A 255 -20.419 -4.917 -0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -19.846 -5.936 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -20.352 -4.388 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -22.446 -5.260 2.399 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -22.430 -4.944 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -21.828 -7.210 0.147 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -21.348 -7.557 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -23.724 -7.325 2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -24.207 -6.965 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -24.593 -9.270 1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -23.421 -9.149 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -22.952 -9.498 1.810 1.00 0.00 H new ATOM 564 N GLY A 256 -20.486 -2.144 1.204 1.00 0.00 N ATOM 565 CA GLY A 256 -21.036 -0.800 1.227 1.00 0.00 C ATOM 566 C GLY A 256 -21.253 -0.405 2.672 1.00 0.00 C ATOM 567 O GLY A 256 -21.416 0.800 2.939 1.00 0.00 O ATOM 0 H GLY A 256 -20.132 -2.442 2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -20.355 -0.102 0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -21.977 -0.764 0.677 1.00 0.00 H new TER 571 GLY A 256