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+ -135:sc= 1.25 (180deg=-0.167) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 250 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 251 ASN : amide:sc= -0.427 K(o=-0.43,f=-9!) 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 -15.363 -1.305 9.670 1.00 0.00 N ATOM 2 CA GLY A 220 -15.556 -2.657 9.135 1.00 0.00 C ATOM 3 C GLY A 220 -14.459 -2.940 8.143 1.00 0.00 C ATOM 4 O GLY A 220 -13.301 -2.694 8.474 1.00 0.00 O ATOM 0 HA2 GLY A 220 -15.536 -3.390 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -16.531 -2.739 8.655 1.00 0.00 H new ATOM 8 N LYS A 221 -14.772 -3.407 6.933 1.00 0.00 N ATOM 9 CA LYS A 221 -13.833 -3.515 5.839 1.00 0.00 C ATOM 10 C LYS A 221 -14.268 -2.546 4.734 1.00 0.00 C ATOM 11 O LYS A 221 -15.390 -2.695 4.242 1.00 0.00 O ATOM 12 CB LYS A 221 -13.731 -4.957 5.359 1.00 0.00 C ATOM 13 CG LYS A 221 -15.026 -5.746 5.088 1.00 0.00 C ATOM 14 CD LYS A 221 -15.033 -7.031 5.919 1.00 0.00 C ATOM 15 CE LYS A 221 -16.137 -7.979 5.459 1.00 0.00 C ATOM 16 NZ LYS A 221 -16.098 -9.257 6.190 1.00 0.00 N ATOM 0 H LYS A 221 -15.710 -3.726 6.691 1.00 0.00 H new ATOM 0 HA LYS A 221 -12.830 -3.237 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -13.147 -4.957 4.439 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -13.157 -5.511 6.101 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -15.894 -5.136 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -15.101 -5.987 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -14.066 -7.527 5.835 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -15.175 -6.786 6.971 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -17.108 -7.505 5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -16.033 -8.168 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -16.211 -10.044 5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -15.186 -9.348 6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -16.870 -9.282 6.886 1.00 0.00 H new ATOM 30 N PRO A 222 -13.434 -1.548 4.385 1.00 0.00 N ATOM 31 CA PRO A 222 -13.745 -0.576 3.348 1.00 0.00 C ATOM 32 C PRO A 222 -13.720 -1.212 1.958 1.00 0.00 C ATOM 33 O PRO A 222 -13.511 -2.416 1.809 1.00 0.00 O ATOM 34 CB PRO A 222 -12.702 0.539 3.477 1.00 0.00 C ATOM 35 CG PRO A 222 -11.570 -0.025 4.326 1.00 0.00 C ATOM 36 CD PRO A 222 -12.065 -1.373 4.845 1.00 0.00 C ATOM 0 HA PRO A 222 -14.753 -0.181 3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -12.337 0.844 2.496 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -13.135 1.423 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -10.661 -0.144 3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -11.329 0.646 5.150 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -11.432 -2.180 4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -12.020 -1.404 5.934 1.00 0.00 H new ATOM 44 N GLU A 223 -13.918 -0.387 0.931 1.00 0.00 N ATOM 45 CA GLU A 223 -13.911 -0.792 -0.471 1.00 0.00 C ATOM 46 C GLU A 223 -12.583 -1.433 -0.875 1.00 0.00 C ATOM 47 O GLU A 223 -12.582 -2.271 -1.774 1.00 0.00 O ATOM 48 CB GLU A 223 -14.228 0.425 -1.351 1.00 0.00 C ATOM 49 CG GLU A 223 -15.685 0.868 -1.148 1.00 0.00 C ATOM 50 CD GLU A 223 -15.928 2.314 -1.549 1.00 0.00 C ATOM 51 OE1 GLU A 223 -15.692 3.195 -0.687 1.00 0.00 O ATOM 52 OE2 GLU A 223 -16.359 2.561 -2.696 1.00 0.00 O ATOM 0 H GLU A 223 -14.093 0.610 1.057 1.00 0.00 H new ATOM 0 HA GLU A 223 -14.679 -1.552 -0.615 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -13.554 1.245 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -14.059 0.178 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -16.340 0.220 -1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -15.956 0.737 -0.100 1.00 0.00 H new ATOM 59 N HIS A 224 -11.473 -1.107 -0.201 1.00 0.00 N ATOM 60 CA HIS A 224 -10.171 -1.694 -0.484 1.00 0.00 C ATOM 61 C HIS A 224 -9.549 -2.227 0.797 1.00 0.00 C ATOM 62 O HIS A 224 -9.877 -1.789 1.904 1.00 0.00 O ATOM 63 CB HIS A 224 -9.261 -0.680 -1.190 1.00 0.00 C ATOM 64 CG HIS A 224 -9.864 -0.173 -2.476 1.00 0.00 C ATOM 65 ND1 HIS A 224 -10.552 1.010 -2.646 1.00 0.00 N ATOM 66 CD2 HIS A 224 -9.915 -0.865 -3.655 1.00 0.00 C ATOM 67 CE1 HIS A 224 -11.032 1.017 -3.902 1.00 0.00 C ATOM 68 NE2 HIS A 224 -10.617 -0.073 -4.571 1.00 0.00 N ATOM 0 H HIS A 224 -11.460 -0.425 0.558 1.00 0.00 H new ATOM 0 HA HIS A 224 -10.298 -2.536 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -9.071 0.161 -0.523 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -8.297 -1.144 -1.400 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -9.492 -1.841 -3.844 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -11.663 1.790 -4.316 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -10.782 -0.282 -5.556 1.00 0.00 H new ATOM 76 N ILE A 225 -8.638 -3.177 0.636 1.00 0.00 N ATOM 77 CA ILE A 225 -7.844 -3.797 1.682 1.00 0.00 C ATOM 78 C ILE A 225 -6.393 -3.474 1.306 1.00 0.00 C ATOM 79 O ILE A 225 -6.096 -3.392 0.114 1.00 0.00 O ATOM 80 CB ILE A 225 -8.244 -5.287 1.737 1.00 0.00 C ATOM 81 CG1 ILE A 225 -9.644 -5.315 2.394 1.00 0.00 C ATOM 82 CG2 ILE A 225 -7.239 -6.192 2.460 1.00 0.00 C ATOM 83 CD1 ILE A 225 -10.061 -6.658 2.973 1.00 0.00 C ATOM 0 H ILE A 225 -8.422 -3.557 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 225 -7.998 -3.438 2.700 1.00 0.00 H new ATOM 0 HB ILE A 225 -8.255 -5.705 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -9.669 -4.571 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -10.382 -5.013 1.651 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -7.602 -7.220 2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -6.275 -6.143 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -7.125 -5.858 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -11.056 -6.573 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -10.075 -7.407 2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -9.351 -6.958 3.744 1.00 0.00 H new ATOM 95 N PRO A 226 -5.497 -3.206 2.267 1.00 0.00 N ATOM 96 CA PRO A 226 -4.114 -2.924 1.939 1.00 0.00 C ATOM 97 C PRO A 226 -3.429 -4.227 1.552 1.00 0.00 C ATOM 98 O PRO A 226 -3.955 -5.313 1.788 1.00 0.00 O ATOM 99 CB PRO A 226 -3.517 -2.322 3.201 1.00 0.00 C ATOM 100 CG PRO A 226 -4.300 -3.015 4.324 1.00 0.00 C ATOM 101 CD PRO A 226 -5.629 -3.437 3.696 1.00 0.00 C ATOM 0 HA PRO A 226 -3.997 -2.239 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 226 -2.448 -2.520 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 226 -3.644 -1.240 3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 226 -3.756 -3.878 4.707 1.00 0.00 H new ATOM 0 HG3 PRO A 226 -4.460 -2.340 5.165 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -5.841 -4.486 3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -6.455 -2.858 4.109 1.00 0.00 H new ATOM 109 N ASP A 227 -2.221 -4.122 1.024 1.00 0.00 N ATOM 110 CA ASP A 227 -1.347 -5.273 0.885 1.00 0.00 C ATOM 111 C ASP A 227 -0.576 -5.409 2.205 1.00 0.00 C ATOM 112 O ASP A 227 0.210 -4.516 2.544 1.00 0.00 O ATOM 113 CB ASP A 227 -0.439 -5.117 -0.335 1.00 0.00 C ATOM 114 CG ASP A 227 0.435 -6.357 -0.562 1.00 0.00 C ATOM 115 OD1 ASP A 227 0.295 -7.358 0.175 1.00 0.00 O ATOM 116 OD2 ASP A 227 1.247 -6.331 -1.518 1.00 0.00 O ATOM 0 H ASP A 227 -1.823 -3.247 0.683 1.00 0.00 H new ATOM 0 HA ASP A 227 -1.909 -6.190 0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -1.049 -4.936 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 227 0.199 -4.243 -0.203 1.00 0.00 H new ATOM 121 N PRO A 228 -0.851 -6.437 3.029 1.00 0.00 N ATOM 122 CA PRO A 228 -0.163 -6.628 4.300 1.00 0.00 C ATOM 123 C PRO A 228 1.206 -7.287 4.092 1.00 0.00 C ATOM 124 O PRO A 228 2.102 -7.100 4.918 1.00 0.00 O ATOM 125 CB PRO A 228 -1.091 -7.544 5.100 1.00 0.00 C ATOM 126 CG PRO A 228 -1.674 -8.444 4.012 1.00 0.00 C ATOM 127 CD PRO A 228 -1.818 -7.510 2.815 1.00 0.00 C ATOM 0 HA PRO A 228 0.032 -5.684 4.809 1.00 0.00 H new ATOM 0 HB2 PRO A 228 -0.549 -8.115 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -1.866 -6.983 5.622 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -1.015 -9.283 3.789 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -2.634 -8.864 4.311 1.00 0.00 H new ATOM 0 HD2 PRO A 228 -1.618 -8.037 1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -2.832 -7.115 2.747 1.00 0.00 H new ATOM 135 N ASP A 229 1.366 -8.063 3.017 1.00 0.00 N ATOM 136 CA ASP A 229 2.597 -8.762 2.662 1.00 0.00 C ATOM 137 C ASP A 229 3.676 -7.766 2.239 1.00 0.00 C ATOM 138 O ASP A 229 4.850 -7.966 2.569 1.00 0.00 O ATOM 139 CB ASP A 229 2.301 -9.768 1.541 1.00 0.00 C ATOM 140 CG ASP A 229 3.568 -10.282 0.866 1.00 0.00 C ATOM 141 OD1 ASP A 229 4.439 -10.846 1.571 1.00 0.00 O ATOM 142 OD2 ASP A 229 3.688 -10.143 -0.369 1.00 0.00 O ATOM 0 H ASP A 229 0.613 -8.226 2.348 1.00 0.00 H new ATOM 0 HA ASP A 229 2.973 -9.303 3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 229 1.745 -10.611 1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 229 1.661 -9.297 0.795 1.00 0.00 H new ATOM 147 N ALA A 230 3.272 -6.678 1.574 1.00 0.00 N ATOM 148 CA ALA A 230 4.122 -5.598 1.087 1.00 0.00 C ATOM 149 C ALA A 230 5.105 -5.078 2.138 1.00 0.00 C ATOM 150 O ALA A 230 4.752 -4.910 3.307 1.00 0.00 O ATOM 151 CB ALA A 230 3.231 -4.437 0.643 1.00 0.00 C ATOM 0 H ALA A 230 2.289 -6.524 1.352 1.00 0.00 H new ATOM 0 HA ALA A 230 4.711 -6.002 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 230 3.853 -3.621 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 230 2.566 -4.772 -0.153 1.00 0.00 H new ATOM 0 HB3 ALA A 230 2.638 -4.089 1.489 1.00 0.00 H new ATOM 157 N LYS A 231 6.313 -4.709 1.713 1.00 0.00 N ATOM 158 CA LYS A 231 7.282 -3.965 2.526 1.00 0.00 C ATOM 159 C LYS A 231 7.888 -2.869 1.670 1.00 0.00 C ATOM 160 O LYS A 231 8.081 -3.076 0.474 1.00 0.00 O ATOM 161 CB LYS A 231 8.431 -4.876 2.992 1.00 0.00 C ATOM 162 CG LYS A 231 8.136 -5.575 4.325 1.00 0.00 C ATOM 163 CD LYS A 231 9.275 -6.527 4.709 1.00 0.00 C ATOM 164 CE LYS A 231 10.622 -5.813 4.883 1.00 0.00 C ATOM 165 NZ LYS A 231 11.746 -6.754 5.061 1.00 0.00 N ATOM 0 H LYS A 231 6.655 -4.922 0.776 1.00 0.00 H new ATOM 0 HA LYS A 231 6.763 -3.563 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.624 -5.629 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 231 9.340 -4.283 3.092 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.000 -4.830 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 231 7.202 -6.131 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 231 9.018 -7.036 5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 231 9.374 -7.295 3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 231 10.812 -5.187 4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 231 10.568 -5.150 5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 12.631 -6.220 5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 11.582 -7.335 5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 11.818 -7.371 4.227 1.00 0.00 H new ATOM 179 N LYS A 232 8.254 -1.748 2.291 1.00 0.00 N ATOM 180 CA LYS A 232 9.000 -0.691 1.618 1.00 0.00 C ATOM 181 C LYS A 232 10.242 -1.246 0.899 1.00 0.00 C ATOM 182 O LYS A 232 10.801 -2.261 1.343 1.00 0.00 O ATOM 183 CB LYS A 232 9.351 0.427 2.608 1.00 0.00 C ATOM 184 CG LYS A 232 10.368 0.000 3.671 1.00 0.00 C ATOM 185 CD LYS A 232 10.822 1.175 4.544 1.00 0.00 C ATOM 186 CE LYS A 232 9.693 1.803 5.364 1.00 0.00 C ATOM 187 NZ LYS A 232 9.184 0.924 6.435 1.00 0.00 N ATOM 0 H LYS A 232 8.042 -1.550 3.269 1.00 0.00 H new ATOM 0 HA LYS A 232 8.365 -0.259 0.844 1.00 0.00 H new ATOM 0 HB2 LYS A 232 9.749 1.279 2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 232 8.440 0.764 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 232 9.928 -0.771 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 232 11.236 -0.444 3.183 1.00 0.00 H new ATOM 0 HD2 LYS A 232 11.604 0.832 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 232 11.265 1.940 3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 232 10.050 2.733 5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 232 8.871 2.063 4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 8.423 1.410 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 8.814 0.046 6.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 9.956 0.696 7.093 1.00 0.00 H new ATOM 201 N PRO A 233 10.713 -0.592 -0.178 1.00 0.00 N ATOM 202 CA PRO A 233 11.906 -1.012 -0.902 1.00 0.00 C ATOM 203 C PRO A 233 13.147 -1.023 -0.001 1.00 0.00 C ATOM 204 O PRO A 233 13.239 -0.285 0.979 1.00 0.00 O ATOM 205 CB PRO A 233 12.076 -0.046 -2.079 1.00 0.00 C ATOM 206 CG PRO A 233 10.795 0.779 -2.130 1.00 0.00 C ATOM 207 CD PRO A 233 10.141 0.608 -0.765 1.00 0.00 C ATOM 0 HA PRO A 233 11.792 -2.036 -1.257 1.00 0.00 H new ATOM 0 HB2 PRO A 233 12.947 0.594 -1.937 1.00 0.00 H new ATOM 0 HB3 PRO A 233 12.228 -0.589 -3.012 1.00 0.00 H new ATOM 0 HG2 PRO A 233 11.012 1.828 -2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 233 10.137 0.431 -2.926 1.00 0.00 H new ATOM 0 HD2 PRO A 233 10.330 1.476 -0.133 1.00 0.00 H new ATOM 0 HD3 PRO A 233 9.059 0.514 -0.863 1.00 0.00 H new ATOM 215 N GLU A 234 14.126 -1.865 -0.335 1.00 0.00 N ATOM 216 CA GLU A 234 15.453 -1.875 0.289 1.00 0.00 C ATOM 217 C GLU A 234 16.281 -0.666 -0.191 1.00 0.00 C ATOM 218 O GLU A 234 17.209 -0.227 0.481 1.00 0.00 O ATOM 219 CB GLU A 234 16.135 -3.212 -0.067 1.00 0.00 C ATOM 220 CG GLU A 234 16.695 -4.019 1.113 1.00 0.00 C ATOM 221 CD GLU A 234 17.983 -3.427 1.701 1.00 0.00 C ATOM 222 OE1 GLU A 234 19.087 -3.615 1.139 1.00 0.00 O ATOM 223 OE2 GLU A 234 17.906 -2.866 2.815 1.00 0.00 O ATOM 0 H GLU A 234 14.018 -2.574 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 234 15.370 -1.790 1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 234 15.414 -3.834 -0.597 1.00 0.00 H new ATOM 0 HB3 GLU A 234 16.951 -3.007 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 234 15.939 -4.075 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 234 16.890 -5.040 0.785 1.00 0.00 H new ATOM 230 N ASP A 235 15.918 -0.127 -1.357 1.00 0.00 N ATOM 231 CA ASP A 235 16.504 0.991 -2.098 1.00 0.00 C ATOM 232 C ASP A 235 15.648 2.254 -1.961 1.00 0.00 C ATOM 233 O ASP A 235 15.792 3.179 -2.759 1.00 0.00 O ATOM 234 CB ASP A 235 16.709 0.601 -3.586 1.00 0.00 C ATOM 235 CG ASP A 235 15.440 0.079 -4.288 1.00 0.00 C ATOM 236 OD1 ASP A 235 14.768 -0.812 -3.725 1.00 0.00 O ATOM 237 OD2 ASP A 235 15.147 0.451 -5.443 1.00 0.00 O ATOM 0 H ASP A 235 15.116 -0.507 -1.860 1.00 0.00 H new ATOM 0 HA ASP A 235 17.481 1.216 -1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 235 17.078 1.471 -4.129 1.00 0.00 H new ATOM 0 HB3 ASP A 235 17.483 -0.164 -3.645 1.00 0.00 H new ATOM 242 N TRP A 236 14.730 2.301 -0.992 1.00 0.00 N ATOM 243 CA TRP A 236 13.931 3.465 -0.634 1.00 0.00 C ATOM 244 C TRP A 236 14.813 4.633 -0.152 1.00 0.00 C ATOM 245 O TRP A 236 15.969 4.415 0.230 1.00 0.00 O ATOM 246 CB TRP A 236 12.942 2.991 0.438 1.00 0.00 C ATOM 247 CG TRP A 236 11.916 3.993 0.840 1.00 0.00 C ATOM 248 CD1 TRP A 236 11.720 4.486 2.080 1.00 0.00 C ATOM 249 CD2 TRP A 236 10.931 4.640 -0.004 1.00 0.00 C ATOM 250 NE1 TRP A 236 10.728 5.445 2.041 1.00 0.00 N ATOM 251 CE2 TRP A 236 10.172 5.544 0.788 1.00 0.00 C ATOM 252 CE3 TRP A 236 10.611 4.541 -1.368 1.00 0.00 C ATOM 253 CZ2 TRP A 236 9.129 6.311 0.252 1.00 0.00 C ATOM 254 CZ3 TRP A 236 9.575 5.313 -1.922 1.00 0.00 C ATOM 255 CH2 TRP A 236 8.842 6.204 -1.118 1.00 0.00 C ATOM 0 H TRP A 236 14.518 1.489 -0.412 1.00 0.00 H new ATOM 0 HA TRP A 236 13.395 3.860 -1.497 1.00 0.00 H new ATOM 0 HB2 TRP A 236 12.433 2.100 0.071 1.00 0.00 H new ATOM 0 HB3 TRP A 236 13.505 2.695 1.323 1.00 0.00 H new ATOM 0 HD1 TRP A 236 12.256 4.178 2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 236 10.443 6.009 2.842 1.00 0.00 H new ATOM 0 HE3 TRP A 236 11.168 3.864 -1.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 8.555 6.974 0.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 9.340 5.221 -2.972 1.00 0.00 H new ATOM 0 HH2 TRP A 236 8.059 6.806 -1.554 1.00 0.00 H new ATOM 266 N ASP A 237 14.277 5.861 -0.136 1.00 0.00 N ATOM 267 CA ASP A 237 14.956 7.077 0.313 1.00 0.00 C ATOM 268 C ASP A 237 14.089 7.778 1.351 1.00 0.00 C ATOM 269 O ASP A 237 13.252 8.618 1.019 1.00 0.00 O ATOM 270 CB ASP A 237 15.268 8.080 -0.809 1.00 0.00 C ATOM 271 CG ASP A 237 16.384 7.667 -1.744 1.00 0.00 C ATOM 272 OD1 ASP A 237 17.541 7.590 -1.276 1.00 0.00 O ATOM 273 OD2 ASP A 237 16.118 7.568 -2.969 1.00 0.00 O ATOM 0 H ASP A 237 13.322 6.038 -0.448 1.00 0.00 H new ATOM 0 HA ASP A 237 15.913 6.752 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 237 14.363 8.239 -1.396 1.00 0.00 H new ATOM 0 HB3 ASP A 237 15.528 9.038 -0.358 1.00 0.00 H new ATOM 278 N GLU A 238 14.312 7.461 2.622 1.00 0.00 N ATOM 279 CA GLU A 238 13.552 8.025 3.737 1.00 0.00 C ATOM 280 C GLU A 238 13.829 9.520 3.965 1.00 0.00 C ATOM 281 O GLU A 238 13.131 10.134 4.767 1.00 0.00 O ATOM 282 CB GLU A 238 13.856 7.219 5.008 1.00 0.00 C ATOM 283 CG GLU A 238 13.448 5.750 4.856 1.00 0.00 C ATOM 284 CD GLU A 238 13.814 4.908 6.075 1.00 0.00 C ATOM 285 OE1 GLU A 238 15.021 4.666 6.307 1.00 0.00 O ATOM 286 OE2 GLU A 238 12.896 4.441 6.785 1.00 0.00 O ATOM 0 H GLU A 238 15.032 6.799 2.912 1.00 0.00 H new ATOM 0 HA GLU A 238 12.494 7.952 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 238 14.921 7.280 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 238 13.327 7.659 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 238 12.373 5.691 4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 238 13.931 5.332 3.973 1.00 0.00 H new ATOM 293 N GLU A 239 14.820 10.102 3.282 1.00 0.00 N ATOM 294 CA GLU A 239 15.220 11.503 3.384 1.00 0.00 C ATOM 295 C GLU A 239 14.691 12.314 2.185 1.00 0.00 C ATOM 296 O GLU A 239 14.529 13.532 2.269 1.00 0.00 O ATOM 297 CB GLU A 239 16.763 11.520 3.460 1.00 0.00 C ATOM 298 CG GLU A 239 17.337 12.185 4.716 1.00 0.00 C ATOM 299 CD GLU A 239 17.684 13.668 4.544 1.00 0.00 C ATOM 300 OE1 GLU A 239 16.781 14.528 4.630 1.00 0.00 O ATOM 301 OE2 GLU A 239 18.894 13.983 4.455 1.00 0.00 O ATOM 0 H GLU A 239 15.389 9.583 2.613 1.00 0.00 H new ATOM 0 HA GLU A 239 14.796 11.972 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 239 17.127 10.494 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 239 17.150 12.038 2.582 1.00 0.00 H new ATOM 0 HG2 GLU A 239 16.616 12.085 5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 239 18.235 11.647 5.019 1.00 0.00 H new ATOM 308 N MET A 240 14.385 11.654 1.063 1.00 0.00 N ATOM 309 CA MET A 240 13.881 12.280 -0.151 1.00 0.00 C ATOM 310 C MET A 240 12.375 12.096 -0.189 1.00 0.00 C ATOM 311 O MET A 240 11.642 13.085 -0.164 1.00 0.00 O ATOM 312 CB MET A 240 14.542 11.678 -1.400 1.00 0.00 C ATOM 313 CG MET A 240 15.945 12.226 -1.678 1.00 0.00 C ATOM 314 SD MET A 240 17.191 11.971 -0.386 1.00 0.00 S ATOM 315 CE MET A 240 17.389 13.671 0.222 1.00 0.00 C ATOM 0 H MET A 240 14.486 10.643 0.978 1.00 0.00 H new ATOM 0 HA MET A 240 14.124 13.343 -0.146 1.00 0.00 H new ATOM 0 HB2 MET A 240 14.601 10.596 -1.284 1.00 0.00 H new ATOM 0 HB3 MET A 240 13.908 11.872 -2.265 1.00 0.00 H new ATOM 0 HG2 MET A 240 16.311 11.771 -2.598 1.00 0.00 H new ATOM 0 HG3 MET A 240 15.861 13.297 -1.863 1.00 0.00 H new ATOM 0 HE1 MET A 240 18.126 13.687 1.025 1.00 0.00 H new ATOM 0 HE2 MET A 240 17.726 14.312 -0.593 1.00 0.00 H new ATOM 0 HE3 MET A 240 16.434 14.036 0.599 1.00 0.00 H new ATOM 325 N ASP A 241 11.935 10.838 -0.253 1.00 0.00 N ATOM 326 CA ASP A 241 10.554 10.469 -0.532 1.00 0.00 C ATOM 327 C ASP A 241 9.765 10.310 0.768 1.00 0.00 C ATOM 328 O ASP A 241 8.588 10.664 0.819 1.00 0.00 O ATOM 329 CB ASP A 241 10.524 9.202 -1.398 1.00 0.00 C ATOM 330 CG ASP A 241 9.611 9.336 -2.616 1.00 0.00 C ATOM 331 OD1 ASP A 241 8.425 9.686 -2.451 1.00 0.00 O ATOM 332 OD2 ASP A 241 10.115 9.142 -3.754 1.00 0.00 O ATOM 0 H ASP A 241 12.545 10.033 -0.109 1.00 0.00 H new ATOM 0 HA ASP A 241 10.068 11.266 -1.095 1.00 0.00 H new ATOM 0 HB2 ASP A 241 11.536 8.972 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 241 10.190 8.361 -0.791 1.00 0.00 H new ATOM 337 N GLY A 242 10.426 9.870 1.846 1.00 0.00 N ATOM 338 CA GLY A 242 9.914 9.986 3.207 1.00 0.00 C ATOM 339 C GLY A 242 9.101 8.778 3.658 1.00 0.00 C ATOM 340 O GLY A 242 9.564 7.636 3.560 1.00 0.00 O ATOM 0 H GLY A 242 11.340 9.420 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 242 10.751 10.126 3.891 1.00 0.00 H new ATOM 0 HA3 GLY A 242 9.293 10.879 3.278 1.00 0.00 H new ATOM 344 N GLU A 243 7.921 9.020 4.234 1.00 0.00 N ATOM 345 CA GLU A 243 6.990 7.996 4.683 1.00 0.00 C ATOM 346 C GLU A 243 6.401 7.301 3.450 1.00 0.00 C ATOM 347 O GLU A 243 5.587 7.888 2.730 1.00 0.00 O ATOM 348 CB GLU A 243 5.902 8.634 5.569 1.00 0.00 C ATOM 349 CG GLU A 243 6.070 8.248 7.043 1.00 0.00 C ATOM 350 CD GLU A 243 4.971 8.814 7.950 1.00 0.00 C ATOM 351 OE1 GLU A 243 5.033 10.015 8.295 1.00 0.00 O ATOM 352 OE2 GLU A 243 4.078 8.044 8.383 1.00 0.00 O ATOM 0 H GLU A 243 7.581 9.967 4.404 1.00 0.00 H new ATOM 0 HA GLU A 243 7.498 7.247 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 243 5.943 9.719 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 243 4.918 8.319 5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 243 6.077 7.161 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 243 7.039 8.601 7.395 1.00 0.00 H new ATOM 359 N TRP A 244 6.815 6.061 3.186 1.00 0.00 N ATOM 360 CA TRP A 244 6.257 5.169 2.166 1.00 0.00 C ATOM 361 C TRP A 244 4.796 4.804 2.499 1.00 0.00 C ATOM 362 O TRP A 244 4.333 5.074 3.608 1.00 0.00 O ATOM 363 CB TRP A 244 7.147 3.918 2.131 1.00 0.00 C ATOM 364 CG TRP A 244 6.724 2.845 1.185 1.00 0.00 C ATOM 365 CD1 TRP A 244 6.759 2.913 -0.165 1.00 0.00 C ATOM 366 CD2 TRP A 244 6.172 1.538 1.509 1.00 0.00 C ATOM 367 NE1 TRP A 244 6.260 1.738 -0.689 1.00 0.00 N ATOM 368 CE2 TRP A 244 5.913 0.843 0.295 1.00 0.00 C ATOM 369 CE3 TRP A 244 5.907 0.855 2.715 1.00 0.00 C ATOM 370 CZ2 TRP A 244 5.433 -0.472 0.276 1.00 0.00 C ATOM 371 CZ3 TRP A 244 5.497 -0.487 2.702 1.00 0.00 C ATOM 372 CH2 TRP A 244 5.240 -1.145 1.490 1.00 0.00 C ATOM 0 H TRP A 244 7.583 5.631 3.700 1.00 0.00 H new ATOM 0 HA TRP A 244 6.243 5.655 1.190 1.00 0.00 H new ATOM 0 HB2 TRP A 244 8.161 4.224 1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 244 7.187 3.496 3.135 1.00 0.00 H new ATOM 0 HD1 TRP A 244 7.120 3.752 -0.741 1.00 0.00 H new ATOM 0 HE1 TRP A 244 6.160 1.555 -1.688 1.00 0.00 H new ATOM 0 HE3 TRP A 244 6.021 1.370 3.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 5.214 -0.961 -0.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 5.378 -1.019 3.635 1.00 0.00 H new ATOM 0 HH2 TRP A 244 4.894 -2.168 1.492 1.00 0.00 H new ATOM 383 N GLU A 245 4.063 4.155 1.594 1.00 0.00 N ATOM 384 CA GLU A 245 2.806 3.483 1.917 1.00 0.00 C ATOM 385 C GLU A 245 2.588 2.314 0.946 1.00 0.00 C ATOM 386 O GLU A 245 2.802 2.492 -0.257 1.00 0.00 O ATOM 387 CB GLU A 245 1.654 4.498 1.902 1.00 0.00 C ATOM 388 CG GLU A 245 0.267 3.936 1.564 1.00 0.00 C ATOM 389 CD GLU A 245 -0.849 4.923 1.884 1.00 0.00 C ATOM 390 OE1 GLU A 245 -1.004 5.288 3.073 1.00 0.00 O ATOM 391 OE2 GLU A 245 -1.634 5.277 0.970 1.00 0.00 O ATOM 0 H GLU A 245 4.327 4.081 0.611 1.00 0.00 H new ATOM 0 HA GLU A 245 2.844 3.064 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 245 1.603 4.974 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 245 1.894 5.279 1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 245 0.229 3.679 0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 245 0.105 3.014 2.122 1.00 0.00 H new ATOM 398 N PRO A 246 2.159 1.138 1.438 1.00 0.00 N ATOM 399 CA PRO A 246 1.946 -0.044 0.613 1.00 0.00 C ATOM 400 C PRO A 246 0.772 0.115 -0.358 1.00 0.00 C ATOM 401 O PRO A 246 -0.045 1.029 -0.198 1.00 0.00 O ATOM 402 CB PRO A 246 1.712 -1.202 1.587 1.00 0.00 C ATOM 403 CG PRO A 246 1.282 -0.548 2.896 1.00 0.00 C ATOM 404 CD PRO A 246 1.860 0.862 2.833 1.00 0.00 C ATOM 0 HA PRO A 246 2.812 -0.222 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 246 0.943 -1.879 1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 246 2.619 -1.792 1.722 1.00 0.00 H new ATOM 0 HG2 PRO A 246 0.196 -0.527 2.990 1.00 0.00 H new ATOM 0 HG3 PRO A 246 1.666 -1.095 3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 246 1.148 1.588 3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 246 2.761 0.937 3.442 1.00 0.00 H new ATOM 412 N PRO A 247 0.672 -0.765 -1.369 1.00 0.00 N ATOM 413 CA PRO A 247 -0.480 -0.813 -2.254 1.00 0.00 C ATOM 414 C PRO A 247 -1.718 -1.358 -1.546 1.00 0.00 C ATOM 415 O PRO A 247 -1.694 -1.691 -0.358 1.00 0.00 O ATOM 416 CB PRO A 247 -0.083 -1.731 -3.407 1.00 0.00 C ATOM 417 CG PRO A 247 1.077 -2.583 -2.885 1.00 0.00 C ATOM 418 CD PRO A 247 1.615 -1.839 -1.662 1.00 0.00 C ATOM 0 HA PRO A 247 -0.742 0.188 -2.597 1.00 0.00 H new ATOM 0 HB2 PRO A 247 -0.921 -2.357 -3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 247 0.219 -1.153 -4.280 1.00 0.00 H new ATOM 0 HG2 PRO A 247 0.739 -3.584 -2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 247 1.850 -2.700 -3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 247 1.709 -2.513 -0.811 1.00 0.00 H new ATOM 0 HD3 PRO A 247 2.608 -1.437 -1.861 1.00 0.00 H new ATOM 426 N VAL A 248 -2.788 -1.508 -2.322 1.00 0.00 N ATOM 427 CA VAL A 248 -3.998 -2.190 -1.963 1.00 0.00 C ATOM 428 C VAL A 248 -4.243 -3.384 -2.868 1.00 0.00 C ATOM 429 O VAL A 248 -3.547 -3.617 -3.866 1.00 0.00 O ATOM 430 CB VAL A 248 -5.157 -1.190 -2.007 1.00 0.00 C ATOM 431 CG1 VAL A 248 -4.995 -0.155 -0.894 1.00 0.00 C ATOM 432 CG2 VAL A 248 -5.360 -0.473 -3.351 1.00 0.00 C ATOM 0 H VAL A 248 -2.821 -1.130 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 248 -3.912 -2.585 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 248 -6.054 -1.792 -1.863 1.00 0.00 H new ATOM 0 HG11 VAL A 248 -5.823 0.553 -0.932 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -4.992 -0.658 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 248 -4.055 0.379 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -6.205 0.212 -3.274 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -4.460 0.088 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -5.559 -1.209 -4.130 1.00 0.00 H new ATOM 442 N ILE A 249 -5.253 -4.146 -2.477 1.00 0.00 N ATOM 443 CA ILE A 249 -5.708 -5.383 -3.057 1.00 0.00 C ATOM 444 C ILE A 249 -7.233 -5.256 -3.083 1.00 0.00 C ATOM 445 O ILE A 249 -7.832 -4.678 -2.166 1.00 0.00 O ATOM 446 CB ILE A 249 -5.151 -6.582 -2.243 1.00 0.00 C ATOM 447 CG1 ILE A 249 -5.783 -6.780 -0.847 1.00 0.00 C ATOM 448 CG2 ILE A 249 -3.631 -6.431 -2.049 1.00 0.00 C ATOM 449 CD1 ILE A 249 -6.728 -7.985 -0.818 1.00 0.00 C ATOM 0 H ILE A 249 -5.821 -3.883 -1.672 1.00 0.00 H new ATOM 0 HA ILE A 249 -5.350 -5.572 -4.069 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.410 -7.457 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -4.995 -6.918 -0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -6.331 -5.881 -0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.251 -7.278 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.141 -6.402 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.423 -5.506 -1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -7.152 -8.091 0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -7.531 -7.835 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -6.174 -8.888 -1.074 1.00 0.00 H new ATOM 461 N GLN A 250 -7.870 -5.722 -4.156 1.00 0.00 N ATOM 462 CA GLN A 250 -9.316 -5.605 -4.279 1.00 0.00 C ATOM 463 C GLN A 250 -9.950 -6.448 -3.174 1.00 0.00 C ATOM 464 O GLN A 250 -9.639 -7.634 -3.027 1.00 0.00 O ATOM 465 CB GLN A 250 -9.787 -5.961 -5.699 1.00 0.00 C ATOM 466 CG GLN A 250 -9.599 -7.422 -6.139 1.00 0.00 C ATOM 467 CD GLN A 250 -10.895 -8.232 -6.147 1.00 0.00 C ATOM 468 OE1 GLN A 250 -11.615 -8.345 -5.045 1.00 0.00 O flip ATOM 469 NE2 GLN A 250 -11.255 -8.798 -7.175 1.00 0.00 N flip ATOM 0 H GLN A 250 -7.410 -6.179 -4.944 1.00 0.00 H new ATOM 0 HA GLN A 250 -9.641 -4.574 -4.141 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -10.846 -5.714 -5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -9.257 -5.321 -6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -9.164 -7.438 -7.138 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -8.884 -7.904 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -10.700 -8.711 -8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -12.109 -9.355 -7.178 1.00 0.00 H new ATOM 478 N ASN A 251 -10.824 -5.846 -2.378 1.00 0.00 N ATOM 479 CA ASN A 251 -11.378 -6.468 -1.185 1.00 0.00 C ATOM 480 C ASN A 251 -12.232 -7.677 -1.588 1.00 0.00 C ATOM 481 O ASN A 251 -13.242 -7.492 -2.267 1.00 0.00 O ATOM 482 CB ASN A 251 -12.218 -5.456 -0.416 1.00 0.00 C ATOM 483 CG ASN A 251 -12.755 -6.013 0.903 1.00 0.00 C ATOM 484 OD1 ASN A 251 -12.824 -7.211 1.154 1.00 0.00 O ATOM 485 ND2 ASN A 251 -13.133 -5.153 1.822 1.00 0.00 N ATOM 0 H ASN A 251 -11.171 -4.902 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 251 -10.567 -6.807 -0.540 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -11.616 -4.570 -0.213 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -13.054 -5.137 -1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -13.475 -5.487 2.723 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -13.084 -4.152 1.634 1.00 0.00 H new ATOM 492 N PRO A 252 -11.869 -8.906 -1.195 1.00 0.00 N ATOM 493 CA PRO A 252 -12.569 -10.114 -1.610 1.00 0.00 C ATOM 494 C PRO A 252 -13.946 -10.294 -0.955 1.00 0.00 C ATOM 495 O PRO A 252 -14.666 -11.228 -1.320 1.00 0.00 O ATOM 496 CB PRO A 252 -11.608 -11.240 -1.233 1.00 0.00 C ATOM 497 CG PRO A 252 -10.894 -10.707 0.006 1.00 0.00 C ATOM 498 CD PRO A 252 -10.748 -9.230 -0.327 1.00 0.00 C ATOM 0 HA PRO A 252 -12.805 -10.086 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -12.141 -12.167 -1.020 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -10.906 -11.454 -2.039 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -11.477 -10.865 0.913 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -9.928 -11.188 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -10.765 -8.622 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -9.799 -9.034 -0.825 1.00 0.00 H new ATOM 506 N GLU A 253 -14.314 -9.470 0.031 1.00 0.00 N ATOM 507 CA GLU A 253 -15.622 -9.433 0.648 1.00 0.00 C ATOM 508 C GLU A 253 -15.961 -8.018 1.153 1.00 0.00 C ATOM 509 O GLU A 253 -16.420 -7.845 2.283 1.00 0.00 O ATOM 510 CB GLU A 253 -15.750 -10.586 1.643 1.00 0.00 C ATOM 511 CG GLU A 253 -14.795 -10.455 2.808 1.00 0.00 C ATOM 512 CD GLU A 253 -15.034 -11.500 3.899 1.00 0.00 C ATOM 513 OE1 GLU A 253 -16.090 -11.502 4.568 1.00 0.00 O ATOM 514 OE2 GLU A 253 -14.081 -12.277 4.149 1.00 0.00 O ATOM 0 H GLU A 253 -13.673 -8.785 0.431 1.00 0.00 H new ATOM 0 HA GLU A 253 -16.413 -9.616 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -16.773 -10.626 2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -15.563 -11.528 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -13.772 -10.546 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -14.892 -9.459 3.240 1.00 0.00 H new ATOM 521 N TYR A 254 -15.781 -6.984 0.323 1.00 0.00 N ATOM 522 CA TYR A 254 -16.187 -5.622 0.674 1.00 0.00 C ATOM 523 C TYR A 254 -17.656 -5.623 1.090 1.00 0.00 C ATOM 524 O TYR A 254 -18.495 -6.168 0.371 1.00 0.00 O ATOM 525 CB TYR A 254 -15.916 -4.632 -0.473 1.00 0.00 C ATOM 526 CG TYR A 254 -16.663 -3.319 -0.341 1.00 0.00 C ATOM 527 CD1 TYR A 254 -16.663 -2.625 0.886 1.00 0.00 C ATOM 528 CD2 TYR A 254 -17.374 -2.803 -1.438 1.00 0.00 C ATOM 529 CE1 TYR A 254 -17.434 -1.465 1.040 1.00 0.00 C ATOM 530 CE2 TYR A 254 -18.147 -1.641 -1.297 1.00 0.00 C ATOM 531 CZ TYR A 254 -18.177 -0.974 -0.054 1.00 0.00 C ATOM 532 OH TYR A 254 -18.856 0.189 0.084 1.00 0.00 O ATOM 0 H TYR A 254 -15.355 -7.067 -0.600 1.00 0.00 H new ATOM 0 HA TYR A 254 -15.585 -5.282 1.517 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -14.846 -4.427 -0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -16.191 -5.102 -1.418 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -16.067 -2.988 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -17.325 -3.303 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -17.459 -0.951 1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -18.715 -1.260 -2.133 1.00 0.00 H new ATOM 0 HH TYR A 254 -19.319 0.399 -0.754 1.00 0.00 H new ATOM 542 N LYS A 255 -17.944 -5.043 2.258 1.00 0.00 N ATOM 543 CA LYS A 255 -19.233 -5.057 2.926 1.00 0.00 C ATOM 544 C LYS A 255 -19.471 -3.689 3.555 1.00 0.00 C ATOM 545 O LYS A 255 -20.460 -3.025 3.249 1.00 0.00 O ATOM 546 CB LYS A 255 -19.206 -6.177 3.986 1.00 0.00 C ATOM 547 CG LYS A 255 -20.500 -6.985 4.038 1.00 0.00 C ATOM 548 CD LYS A 255 -21.622 -6.186 4.696 1.00 0.00 C ATOM 549 CE LYS A 255 -22.846 -7.104 4.717 1.00 0.00 C ATOM 550 NZ LYS A 255 -24.005 -6.481 5.378 1.00 0.00 N ATOM 0 H LYS A 255 -17.241 -4.525 2.785 1.00 0.00 H new ATOM 0 HA LYS A 255 -20.048 -5.254 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -18.374 -6.849 3.775 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -19.020 -5.737 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -20.796 -7.269 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -20.334 -7.908 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -21.344 -5.885 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -21.830 -5.274 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -23.114 -7.370 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -22.593 -8.031 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -24.808 -7.142 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -23.761 -6.250 6.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -24.266 -5.610 4.873 1.00 0.00 H new ATOM 564 N GLY A 256 -18.570 -3.261 4.436 1.00 0.00 N ATOM 565 CA GLY A 256 -18.733 -2.125 5.317 1.00 0.00 C ATOM 566 C GLY A 256 -18.171 -2.514 6.672 1.00 0.00 C ATOM 567 O GLY A 256 -18.276 -1.667 7.577 1.00 0.00 O ATOM 0 H GLY A 256 -17.668 -3.723 4.554 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -18.210 -1.254 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -19.785 -1.854 5.402 1.00 0.00 H new TER 571 GLY A 256