USER MOD reduce.3.24.130724 H: found=0, std=0, add=267, rem=0, adj=2 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 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 176:sc= 0 (180deg=-0.0142) USER MOD Single : A 250 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 ASN : amide:sc= -2.21! C(o=-2.2!,f=-5.8!) 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 -17.796 -3.493 9.988 1.00 0.00 N ATOM 2 CA GLY A 220 -17.600 -3.982 8.617 1.00 0.00 C ATOM 3 C GLY A 220 -16.149 -3.883 8.179 1.00 0.00 C ATOM 4 O GLY A 220 -15.374 -3.120 8.756 1.00 0.00 O ATOM 0 HA2 GLY A 220 -17.928 -5.019 8.552 1.00 0.00 H new ATOM 0 HA3 GLY A 220 -18.225 -3.406 7.934 1.00 0.00 H new ATOM 8 N LYS A 221 -15.759 -4.657 7.160 1.00 0.00 N ATOM 9 CA LYS A 221 -14.471 -4.498 6.477 1.00 0.00 C ATOM 10 C LYS A 221 -14.568 -3.289 5.528 1.00 0.00 C ATOM 11 O LYS A 221 -15.665 -3.049 5.017 1.00 0.00 O ATOM 12 CB LYS A 221 -14.130 -5.786 5.697 1.00 0.00 C ATOM 13 CG LYS A 221 -12.645 -6.176 5.700 1.00 0.00 C ATOM 14 CD LYS A 221 -12.413 -7.678 5.865 1.00 0.00 C ATOM 15 CE LYS A 221 -12.615 -8.079 7.333 1.00 0.00 C ATOM 16 NZ LYS A 221 -11.492 -8.863 7.878 1.00 0.00 N ATOM 0 H LYS A 221 -16.330 -5.414 6.785 1.00 0.00 H new ATOM 0 HA LYS A 221 -13.675 -4.324 7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -14.707 -6.610 6.117 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -14.455 -5.663 4.664 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -12.188 -5.845 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -12.139 -5.647 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -13.102 -8.233 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -11.404 -7.937 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -12.748 -7.180 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -13.533 -8.660 7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -11.686 -9.104 8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -11.378 -9.737 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -10.618 -8.302 7.822 1.00 0.00 H new ATOM 30 N PRO A 222 -13.459 -2.590 5.235 1.00 0.00 N ATOM 31 CA PRO A 222 -13.429 -1.495 4.269 1.00 0.00 C ATOM 32 C PRO A 222 -13.736 -1.971 2.843 1.00 0.00 C ATOM 33 O PRO A 222 -13.799 -3.173 2.578 1.00 0.00 O ATOM 34 CB PRO A 222 -12.008 -0.917 4.323 1.00 0.00 C ATOM 35 CG PRO A 222 -11.231 -1.749 5.337 1.00 0.00 C ATOM 36 CD PRO A 222 -12.112 -2.948 5.632 1.00 0.00 C ATOM 0 HA PRO A 222 -14.191 -0.757 4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -11.535 -0.963 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -12.029 0.132 4.619 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -10.267 -2.059 4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -11.029 -1.177 6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -11.768 -3.824 5.083 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -12.076 -3.202 6.691 1.00 0.00 H new ATOM 44 N GLU A 223 -13.847 -1.016 1.916 1.00 0.00 N ATOM 45 CA GLU A 223 -13.959 -1.213 0.475 1.00 0.00 C ATOM 46 C GLU A 223 -12.651 -1.605 -0.226 1.00 0.00 C ATOM 47 O GLU A 223 -12.695 -2.019 -1.386 1.00 0.00 O ATOM 48 CB GLU A 223 -14.495 0.071 -0.171 1.00 0.00 C ATOM 49 CG GLU A 223 -13.792 1.377 0.237 1.00 0.00 C ATOM 50 CD GLU A 223 -14.551 2.099 1.348 1.00 0.00 C ATOM 51 OE1 GLU A 223 -14.374 1.719 2.526 1.00 0.00 O ATOM 52 OE2 GLU A 223 -15.367 2.999 1.023 1.00 0.00 O ATOM 0 H GLU A 223 -13.862 -0.028 2.170 1.00 0.00 H new ATOM 0 HA GLU A 223 -14.640 -2.055 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -14.423 -0.034 -1.254 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -15.554 0.161 0.071 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -12.778 1.156 0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -13.706 2.031 -0.631 1.00 0.00 H new ATOM 59 N HIS A 224 -11.504 -1.447 0.432 1.00 0.00 N ATOM 60 CA HIS A 224 -10.215 -1.978 0.019 1.00 0.00 C ATOM 61 C HIS A 224 -9.516 -2.595 1.227 1.00 0.00 C ATOM 62 O HIS A 224 -9.596 -2.072 2.345 1.00 0.00 O ATOM 63 CB HIS A 224 -9.352 -0.862 -0.560 1.00 0.00 C ATOM 64 CG HIS A 224 -9.578 -0.628 -2.029 1.00 0.00 C ATOM 65 ND1 HIS A 224 -10.479 0.243 -2.605 1.00 0.00 N ATOM 66 CD2 HIS A 224 -8.941 -1.298 -3.037 1.00 0.00 C ATOM 67 CE1 HIS A 224 -10.380 0.094 -3.937 1.00 0.00 C ATOM 68 NE2 HIS A 224 -9.443 -0.817 -4.250 1.00 0.00 N ATOM 0 H HIS A 224 -11.450 -0.922 1.305 1.00 0.00 H new ATOM 0 HA HIS A 224 -10.366 -2.739 -0.746 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -9.555 0.062 -0.018 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -8.302 -1.104 -0.396 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -8.186 -2.061 -2.917 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -10.974 0.634 -4.659 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -9.155 -1.101 -5.186 1.00 0.00 H new ATOM 76 N ILE A 225 -8.756 -3.657 0.988 1.00 0.00 N ATOM 77 CA ILE A 225 -8.002 -4.396 2.002 1.00 0.00 C ATOM 78 C ILE A 225 -6.530 -3.990 1.848 1.00 0.00 C ATOM 79 O ILE A 225 -6.103 -3.669 0.734 1.00 0.00 O ATOM 80 CB ILE A 225 -8.285 -5.914 1.834 1.00 0.00 C ATOM 81 CG1 ILE A 225 -9.790 -6.171 2.071 1.00 0.00 C ATOM 82 CG2 ILE A 225 -7.409 -6.868 2.664 1.00 0.00 C ATOM 83 CD1 ILE A 225 -10.200 -7.455 2.796 1.00 0.00 C ATOM 0 H ILE A 225 -8.642 -4.043 0.051 1.00 0.00 H new ATOM 0 HA ILE A 225 -8.299 -4.160 3.024 1.00 0.00 H new ATOM 0 HB ILE A 225 -8.001 -6.158 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -10.186 -5.328 2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -10.286 -6.164 1.100 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -7.701 -7.899 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -6.362 -6.728 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -7.543 -6.655 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -11.286 -7.491 2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -9.854 -8.319 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -9.753 -7.470 3.790 1.00 0.00 H new ATOM 95 N PRO A 226 -5.746 -3.942 2.937 1.00 0.00 N ATOM 96 CA PRO A 226 -4.327 -3.659 2.834 1.00 0.00 C ATOM 97 C PRO A 226 -3.570 -4.866 2.293 1.00 0.00 C ATOM 98 O PRO A 226 -4.074 -5.988 2.310 1.00 0.00 O ATOM 99 CB PRO A 226 -3.889 -3.298 4.245 1.00 0.00 C ATOM 100 CG PRO A 226 -4.862 -4.033 5.161 1.00 0.00 C ATOM 101 CD PRO A 226 -6.125 -4.208 4.319 1.00 0.00 C ATOM 0 HA PRO A 226 -4.118 -2.847 2.137 1.00 0.00 H new ATOM 0 HB2 PRO A 226 -2.861 -3.609 4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 226 -3.931 -2.221 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 226 -4.459 -4.995 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 226 -5.065 -3.460 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -6.523 -5.217 4.424 1.00 0.00 H new ATOM 0 HD3 PRO A 226 -6.906 -3.521 4.645 1.00 0.00 H new ATOM 109 N ASP A 227 -2.327 -4.652 1.879 1.00 0.00 N ATOM 110 CA ASP A 227 -1.457 -5.737 1.434 1.00 0.00 C ATOM 111 C ASP A 227 -0.603 -6.140 2.636 1.00 0.00 C ATOM 112 O ASP A 227 0.279 -5.370 3.034 1.00 0.00 O ATOM 113 CB ASP A 227 -0.597 -5.324 0.237 1.00 0.00 C ATOM 114 CG ASP A 227 0.222 -6.501 -0.308 1.00 0.00 C ATOM 115 OD1 ASP A 227 0.409 -7.522 0.396 1.00 0.00 O ATOM 116 OD2 ASP A 227 0.646 -6.413 -1.488 1.00 0.00 O ATOM 0 H ASP A 227 -1.895 -3.729 1.842 1.00 0.00 H new ATOM 0 HA ASP A 227 -2.049 -6.583 1.085 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -1.237 -4.930 -0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 227 0.076 -4.519 0.533 1.00 0.00 H new ATOM 121 N PRO A 228 -0.879 -7.278 3.295 1.00 0.00 N ATOM 122 CA PRO A 228 -0.190 -7.653 4.521 1.00 0.00 C ATOM 123 C PRO A 228 1.245 -8.124 4.262 1.00 0.00 C ATOM 124 O PRO A 228 2.044 -8.157 5.205 1.00 0.00 O ATOM 125 CB PRO A 228 -1.037 -8.775 5.120 1.00 0.00 C ATOM 126 CG PRO A 228 -1.577 -9.476 3.876 1.00 0.00 C ATOM 127 CD PRO A 228 -1.788 -8.337 2.877 1.00 0.00 C ATOM 0 HA PRO A 228 -0.091 -6.801 5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 228 -0.443 -9.447 5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 228 -1.839 -8.388 5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 228 -0.872 -10.216 3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -2.509 -10.002 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 228 -1.570 -8.662 1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 228 -2.822 -7.993 2.887 1.00 0.00 H new ATOM 135 N ASP A 229 1.582 -8.491 3.025 1.00 0.00 N ATOM 136 CA ASP A 229 2.891 -9.034 2.683 1.00 0.00 C ATOM 137 C ASP A 229 3.831 -7.929 2.204 1.00 0.00 C ATOM 138 O ASP A 229 5.044 -8.121 2.114 1.00 0.00 O ATOM 139 CB ASP A 229 2.749 -10.126 1.618 1.00 0.00 C ATOM 140 CG ASP A 229 3.968 -11.047 1.590 1.00 0.00 C ATOM 141 OD1 ASP A 229 4.591 -11.276 2.657 1.00 0.00 O ATOM 142 OD2 ASP A 229 4.242 -11.642 0.523 1.00 0.00 O ATOM 0 H ASP A 229 0.948 -8.418 2.229 1.00 0.00 H new ATOM 0 HA ASP A 229 3.325 -9.477 3.579 1.00 0.00 H new ATOM 0 HB2 ASP A 229 1.853 -10.714 1.816 1.00 0.00 H new ATOM 0 HB3 ASP A 229 2.618 -9.665 0.639 1.00 0.00 H new ATOM 147 N ALA A 230 3.281 -6.742 1.936 1.00 0.00 N ATOM 148 CA ALA A 230 4.040 -5.560 1.593 1.00 0.00 C ATOM 149 C ALA A 230 4.859 -5.094 2.798 1.00 0.00 C ATOM 150 O ALA A 230 4.311 -4.844 3.878 1.00 0.00 O ATOM 151 CB ALA A 230 3.080 -4.464 1.143 1.00 0.00 C ATOM 0 H ALA A 230 2.274 -6.584 1.955 1.00 0.00 H new ATOM 0 HA ALA A 230 4.729 -5.789 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 230 3.646 -3.569 0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 230 2.520 -4.806 0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 230 2.387 -4.233 1.952 1.00 0.00 H new ATOM 157 N LYS A 231 6.159 -4.894 2.573 1.00 0.00 N ATOM 158 CA LYS A 231 7.048 -4.123 3.430 1.00 0.00 C ATOM 159 C LYS A 231 7.797 -3.093 2.585 1.00 0.00 C ATOM 160 O LYS A 231 7.799 -3.210 1.357 1.00 0.00 O ATOM 161 CB LYS A 231 8.016 -5.066 4.158 1.00 0.00 C ATOM 162 CG LYS A 231 9.051 -5.761 3.257 1.00 0.00 C ATOM 163 CD LYS A 231 10.309 -6.056 4.071 1.00 0.00 C ATOM 164 CE LYS A 231 11.348 -6.775 3.216 1.00 0.00 C ATOM 165 NZ LYS A 231 12.551 -7.062 4.020 1.00 0.00 N ATOM 0 H LYS A 231 6.635 -5.281 1.758 1.00 0.00 H new ATOM 0 HA LYS A 231 6.470 -3.591 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.546 -4.498 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.435 -5.830 4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.638 -6.686 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 231 9.295 -5.125 2.406 1.00 0.00 H new ATOM 0 HD2 LYS A 231 10.727 -5.125 4.454 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.054 -6.670 4.935 1.00 0.00 H new ATOM 0 HE2 LYS A 231 10.931 -7.704 2.826 1.00 0.00 H new ATOM 0 HE3 LYS A 231 11.613 -6.159 2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 13.254 -7.552 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 12.955 -6.170 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 12.294 -7.667 4.826 1.00 0.00 H new ATOM 179 N LYS A 232 8.439 -2.112 3.222 1.00 0.00 N ATOM 180 CA LYS A 232 9.283 -1.127 2.558 1.00 0.00 C ATOM 181 C LYS A 232 10.245 -1.761 1.540 1.00 0.00 C ATOM 182 O LYS A 232 10.718 -2.889 1.748 1.00 0.00 O ATOM 183 CB LYS A 232 10.086 -0.347 3.602 1.00 0.00 C ATOM 184 CG LYS A 232 9.310 0.759 4.318 1.00 0.00 C ATOM 185 CD LYS A 232 10.203 1.545 5.293 1.00 0.00 C ATOM 186 CE LYS A 232 10.555 2.925 4.738 1.00 0.00 C ATOM 187 NZ LYS A 232 11.311 3.740 5.706 1.00 0.00 N ATOM 0 H LYS A 232 8.383 -1.981 4.232 1.00 0.00 H new ATOM 0 HA LYS A 232 8.622 -0.457 2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 232 10.462 -1.048 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 232 10.954 0.096 3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 232 8.888 1.442 3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 232 8.474 0.322 4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 232 9.691 1.655 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 232 11.118 0.984 5.484 1.00 0.00 H new ATOM 0 HE2 LYS A 232 11.142 2.809 3.827 1.00 0.00 H new ATOM 0 HE3 LYS A 232 9.639 3.448 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 11.527 4.666 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 10.742 3.874 6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 12.198 3.255 5.950 1.00 0.00 H new ATOM 201 N PRO A 233 10.628 -1.018 0.488 1.00 0.00 N ATOM 202 CA PRO A 233 11.890 -1.253 -0.196 1.00 0.00 C ATOM 203 C PRO A 233 13.039 -1.100 0.795 1.00 0.00 C ATOM 204 O PRO A 233 12.960 -0.427 1.824 1.00 0.00 O ATOM 205 CB PRO A 233 11.970 -0.207 -1.322 1.00 0.00 C ATOM 206 CG PRO A 233 10.626 0.524 -1.308 1.00 0.00 C ATOM 207 CD PRO A 233 10.065 0.263 0.085 1.00 0.00 C ATOM 0 HA PRO A 233 11.956 -2.259 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 233 12.794 0.486 -1.154 1.00 0.00 H new ATOM 0 HB3 PRO A 233 12.146 -0.683 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO A 233 10.752 1.591 -1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 233 9.959 0.144 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 233 10.349 1.054 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 233 8.976 0.228 0.071 1.00 0.00 H new ATOM 215 N GLU A 234 14.157 -1.717 0.464 1.00 0.00 N ATOM 216 CA GLU A 234 15.454 -1.295 0.952 1.00 0.00 C ATOM 217 C GLU A 234 15.879 -0.029 0.213 1.00 0.00 C ATOM 218 O GLU A 234 16.352 0.915 0.844 1.00 0.00 O ATOM 219 CB GLU A 234 16.410 -2.462 0.727 1.00 0.00 C ATOM 220 CG GLU A 234 16.354 -3.415 1.930 1.00 0.00 C ATOM 221 CD GLU A 234 17.571 -4.332 1.976 1.00 0.00 C ATOM 222 OE1 GLU A 234 17.547 -5.398 1.320 1.00 0.00 O ATOM 223 OE2 GLU A 234 18.534 -4.009 2.704 1.00 0.00 O ATOM 0 H GLU A 234 14.190 -2.528 -0.153 1.00 0.00 H new ATOM 0 HA GLU A 234 15.443 -1.046 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 234 16.140 -2.995 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.426 -2.092 0.591 1.00 0.00 H new ATOM 0 HG2 GLU A 234 16.299 -2.836 2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 234 15.446 -4.016 1.877 1.00 0.00 H new ATOM 230 N ASP A 235 15.605 0.023 -1.093 1.00 0.00 N ATOM 231 CA ASP A 235 15.978 1.100 -2.014 1.00 0.00 C ATOM 232 C ASP A 235 14.938 2.233 -1.974 1.00 0.00 C ATOM 233 O ASP A 235 14.561 2.823 -2.989 1.00 0.00 O ATOM 234 CB ASP A 235 16.136 0.484 -3.409 1.00 0.00 C ATOM 235 CG ASP A 235 17.016 1.261 -4.383 1.00 0.00 C ATOM 236 OD1 ASP A 235 17.792 2.155 -3.991 1.00 0.00 O ATOM 237 OD2 ASP A 235 17.065 0.787 -5.545 1.00 0.00 O ATOM 0 H ASP A 235 15.091 -0.723 -1.561 1.00 0.00 H new ATOM 0 HA ASP A 235 16.923 1.557 -1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 235 16.548 -0.519 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 235 15.146 0.375 -3.851 1.00 0.00 H new ATOM 242 N TRP A 236 14.370 2.443 -0.786 1.00 0.00 N ATOM 243 CA TRP A 236 13.574 3.574 -0.403 1.00 0.00 C ATOM 244 C TRP A 236 14.509 4.677 0.063 1.00 0.00 C ATOM 245 O TRP A 236 15.495 4.410 0.751 1.00 0.00 O ATOM 246 CB TRP A 236 12.629 3.150 0.734 1.00 0.00 C ATOM 247 CG TRP A 236 11.571 4.158 1.012 1.00 0.00 C ATOM 248 CD1 TRP A 236 11.370 4.831 2.163 1.00 0.00 C ATOM 249 CD2 TRP A 236 10.618 4.691 0.064 1.00 0.00 C ATOM 250 NE1 TRP A 236 10.356 5.756 1.982 1.00 0.00 N ATOM 251 CE2 TRP A 236 9.829 5.684 0.709 1.00 0.00 C ATOM 252 CE3 TRP A 236 10.389 4.440 -1.300 1.00 0.00 C ATOM 253 CZ2 TRP A 236 8.797 6.359 0.043 1.00 0.00 C ATOM 254 CZ3 TRP A 236 9.401 5.167 -1.995 1.00 0.00 C ATOM 255 CH2 TRP A 236 8.586 6.099 -1.322 1.00 0.00 C ATOM 0 H TRP A 236 14.470 1.772 -0.025 1.00 0.00 H new ATOM 0 HA TRP A 236 12.977 3.937 -1.240 1.00 0.00 H new ATOM 0 HB2 TRP A 236 12.160 2.200 0.475 1.00 0.00 H new ATOM 0 HB3 TRP A 236 13.211 2.982 1.640 1.00 0.00 H new ATOM 0 HD1 TRP A 236 11.915 4.673 3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 236 10.039 6.408 2.699 1.00 0.00 H new ATOM 0 HE3 TRP A 236 10.970 3.690 -1.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 8.174 7.067 0.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 9.267 5.008 -3.055 1.00 0.00 H new ATOM 0 HH2 TRP A 236 7.800 6.613 -1.855 1.00 0.00 H new ATOM 266 N ASP A 237 14.155 5.920 -0.231 1.00 0.00 N ATOM 267 CA ASP A 237 14.991 7.073 0.030 1.00 0.00 C ATOM 268 C ASP A 237 14.171 7.988 0.920 1.00 0.00 C ATOM 269 O ASP A 237 13.491 8.873 0.418 1.00 0.00 O ATOM 270 CB ASP A 237 15.389 7.785 -1.274 1.00 0.00 C ATOM 271 CG ASP A 237 16.383 7.014 -2.135 1.00 0.00 C ATOM 272 OD1 ASP A 237 15.965 6.057 -2.820 1.00 0.00 O ATOM 273 OD2 ASP A 237 17.561 7.421 -2.249 1.00 0.00 O ATOM 0 H ASP A 237 13.262 6.155 -0.665 1.00 0.00 H new ATOM 0 HA ASP A 237 15.925 6.780 0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 237 14.489 7.973 -1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 237 15.818 8.756 -1.027 1.00 0.00 H new ATOM 278 N GLU A 238 14.195 7.792 2.239 1.00 0.00 N ATOM 279 CA GLU A 238 13.499 8.691 3.166 1.00 0.00 C ATOM 280 C GLU A 238 14.005 10.127 3.010 1.00 0.00 C ATOM 281 O GLU A 238 13.250 11.079 3.198 1.00 0.00 O ATOM 282 CB GLU A 238 13.646 8.159 4.602 1.00 0.00 C ATOM 283 CG GLU A 238 12.699 8.785 5.644 1.00 0.00 C ATOM 284 CD GLU A 238 13.012 10.220 6.099 1.00 0.00 C ATOM 285 OE1 GLU A 238 14.115 10.505 6.624 1.00 0.00 O ATOM 286 OE2 GLU A 238 12.083 11.062 6.074 1.00 0.00 O ATOM 0 H GLU A 238 14.687 7.021 2.691 1.00 0.00 H new ATOM 0 HA GLU A 238 12.435 8.715 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 238 13.482 7.081 4.590 1.00 0.00 H new ATOM 0 HB3 GLU A 238 14.674 8.322 4.927 1.00 0.00 H new ATOM 0 HG2 GLU A 238 11.689 8.772 5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 238 12.694 8.144 6.525 1.00 0.00 H new ATOM 293 N GLU A 239 15.263 10.303 2.605 1.00 0.00 N ATOM 294 CA GLU A 239 15.849 11.607 2.403 1.00 0.00 C ATOM 295 C GLU A 239 15.203 12.331 1.218 1.00 0.00 C ATOM 296 O GLU A 239 15.099 13.559 1.239 1.00 0.00 O ATOM 297 CB GLU A 239 17.360 11.409 2.220 1.00 0.00 C ATOM 298 CG GLU A 239 18.140 12.706 2.427 1.00 0.00 C ATOM 299 CD GLU A 239 19.646 12.455 2.525 1.00 0.00 C ATOM 300 OE1 GLU A 239 20.258 11.912 1.579 1.00 0.00 O ATOM 301 OE2 GLU A 239 20.220 12.750 3.599 1.00 0.00 O ATOM 0 H GLU A 239 15.900 9.531 2.409 1.00 0.00 H new ATOM 0 HA GLU A 239 15.669 12.248 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 239 17.714 10.657 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 239 17.556 11.025 1.219 1.00 0.00 H new ATOM 0 HG2 GLU A 239 17.938 13.387 1.600 1.00 0.00 H new ATOM 0 HG3 GLU A 239 17.794 13.197 3.336 1.00 0.00 H new ATOM 308 N MET A 240 14.719 11.585 0.221 1.00 0.00 N ATOM 309 CA MET A 240 14.045 12.101 -0.961 1.00 0.00 C ATOM 310 C MET A 240 12.543 12.107 -0.690 1.00 0.00 C ATOM 311 O MET A 240 11.919 13.169 -0.665 1.00 0.00 O ATOM 312 CB MET A 240 14.361 11.232 -2.194 1.00 0.00 C ATOM 313 CG MET A 240 15.731 11.490 -2.833 1.00 0.00 C ATOM 314 SD MET A 240 17.183 10.983 -1.871 1.00 0.00 S ATOM 315 CE MET A 240 17.826 12.591 -1.354 1.00 0.00 C ATOM 0 H MET A 240 14.792 10.568 0.220 1.00 0.00 H new ATOM 0 HA MET A 240 14.394 13.112 -1.171 1.00 0.00 H new ATOM 0 HB2 MET A 240 14.303 10.183 -1.905 1.00 0.00 H new ATOM 0 HB3 MET A 240 13.589 11.399 -2.945 1.00 0.00 H new ATOM 0 HG2 MET A 240 15.762 10.975 -3.793 1.00 0.00 H new ATOM 0 HG3 MET A 240 15.815 12.557 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 240 18.681 12.446 -0.693 1.00 0.00 H new ATOM 0 HE2 MET A 240 18.138 13.157 -2.232 1.00 0.00 H new ATOM 0 HE3 MET A 240 17.048 13.141 -0.825 1.00 0.00 H new ATOM 325 N ASP A 241 11.953 10.931 -0.504 1.00 0.00 N ATOM 326 CA ASP A 241 10.523 10.710 -0.647 1.00 0.00 C ATOM 327 C ASP A 241 9.781 10.976 0.655 1.00 0.00 C ATOM 328 O ASP A 241 8.846 11.778 0.674 1.00 0.00 O ATOM 329 CB ASP A 241 10.237 9.286 -1.147 1.00 0.00 C ATOM 330 CG ASP A 241 9.074 9.308 -2.131 1.00 0.00 C ATOM 331 OD1 ASP A 241 8.050 9.985 -1.894 1.00 0.00 O ATOM 332 OD2 ASP A 241 9.286 8.815 -3.261 1.00 0.00 O ATOM 0 H ASP A 241 12.468 10.090 -0.245 1.00 0.00 H new ATOM 0 HA ASP A 241 10.157 11.419 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 241 11.124 8.875 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A 241 10.000 8.636 -0.305 1.00 0.00 H new ATOM 337 N GLY A 242 10.210 10.353 1.755 1.00 0.00 N ATOM 338 CA GLY A 242 9.598 10.501 3.072 1.00 0.00 C ATOM 339 C GLY A 242 9.014 9.190 3.586 1.00 0.00 C ATOM 340 O GLY A 242 9.646 8.135 3.454 1.00 0.00 O ATOM 0 H GLY A 242 11.009 9.719 1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 242 10.344 10.866 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 242 8.810 11.253 3.022 1.00 0.00 H new ATOM 344 N GLU A 243 7.851 9.246 4.240 1.00 0.00 N ATOM 345 CA GLU A 243 7.124 8.075 4.690 1.00 0.00 C ATOM 346 C GLU A 243 6.586 7.315 3.475 1.00 0.00 C ATOM 347 O GLU A 243 5.764 7.815 2.702 1.00 0.00 O ATOM 348 CB GLU A 243 5.994 8.469 5.659 1.00 0.00 C ATOM 349 CG GLU A 243 6.339 8.025 7.082 1.00 0.00 C ATOM 350 CD GLU A 243 5.186 8.239 8.064 1.00 0.00 C ATOM 351 OE1 GLU A 243 4.197 7.462 8.047 1.00 0.00 O ATOM 352 OE2 GLU A 243 5.274 9.140 8.922 1.00 0.00 O ATOM 0 H GLU A 243 7.388 10.125 4.471 1.00 0.00 H new ATOM 0 HA GLU A 243 7.799 7.419 5.239 1.00 0.00 H new ATOM 0 HB2 GLU A 243 5.843 9.548 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 243 5.058 8.009 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 243 6.612 6.970 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 243 7.213 8.577 7.428 1.00 0.00 H new ATOM 359 N TRP A 244 7.050 6.075 3.334 1.00 0.00 N ATOM 360 CA TRP A 244 6.460 5.095 2.440 1.00 0.00 C ATOM 361 C TRP A 244 5.006 4.823 2.852 1.00 0.00 C ATOM 362 O TRP A 244 4.552 5.227 3.930 1.00 0.00 O ATOM 363 CB TRP A 244 7.313 3.819 2.510 1.00 0.00 C ATOM 364 CG TRP A 244 6.956 2.719 1.562 1.00 0.00 C ATOM 365 CD1 TRP A 244 7.056 2.765 0.214 1.00 0.00 C ATOM 366 CD2 TRP A 244 6.445 1.394 1.882 1.00 0.00 C ATOM 367 NE1 TRP A 244 6.617 1.567 -0.317 1.00 0.00 N ATOM 368 CE2 TRP A 244 6.212 0.691 0.666 1.00 0.00 C ATOM 369 CE3 TRP A 244 6.202 0.699 3.084 1.00 0.00 C ATOM 370 CZ2 TRP A 244 5.704 -0.615 0.644 1.00 0.00 C ATOM 371 CZ3 TRP A 244 5.782 -0.642 3.072 1.00 0.00 C ATOM 372 CH2 TRP A 244 5.475 -1.280 1.857 1.00 0.00 C ATOM 0 H TRP A 244 7.858 5.723 3.847 1.00 0.00 H new ATOM 0 HA TRP A 244 6.444 5.462 1.414 1.00 0.00 H new ATOM 0 HB2 TRP A 244 8.353 4.095 2.335 1.00 0.00 H new ATOM 0 HB3 TRP A 244 7.254 3.426 3.525 1.00 0.00 H new ATOM 0 HD1 TRP A 244 7.421 3.605 -0.357 1.00 0.00 H new ATOM 0 HE1 TRP A 244 6.595 1.357 -1.315 1.00 0.00 H new ATOM 0 HE3 TRP A 244 6.341 1.205 4.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 5.492 -1.103 -0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 5.695 -1.186 4.001 1.00 0.00 H new ATOM 0 HH2 TRP A 244 5.064 -2.279 1.858 1.00 0.00 H new ATOM 383 N GLU A 245 4.281 4.089 2.014 1.00 0.00 N ATOM 384 CA GLU A 245 3.035 3.442 2.376 1.00 0.00 C ATOM 385 C GLU A 245 2.889 2.179 1.516 1.00 0.00 C ATOM 386 O GLU A 245 3.283 2.196 0.342 1.00 0.00 O ATOM 387 CB GLU A 245 1.852 4.406 2.209 1.00 0.00 C ATOM 388 CG GLU A 245 1.452 4.605 0.745 1.00 0.00 C ATOM 389 CD GLU A 245 0.689 5.906 0.556 1.00 0.00 C ATOM 390 OE1 GLU A 245 1.345 6.969 0.427 1.00 0.00 O ATOM 391 OE2 GLU A 245 -0.562 5.850 0.515 1.00 0.00 O ATOM 0 H GLU A 245 4.553 3.927 1.045 1.00 0.00 H new ATOM 0 HA GLU A 245 3.042 3.154 3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 245 0.996 4.024 2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 245 2.111 5.371 2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 245 2.344 4.609 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 245 0.836 3.768 0.416 1.00 0.00 H new ATOM 398 N PRO A 246 2.325 1.092 2.058 1.00 0.00 N ATOM 399 CA PRO A 246 2.101 -0.143 1.320 1.00 0.00 C ATOM 400 C PRO A 246 0.967 -0.004 0.284 1.00 0.00 C ATOM 401 O PRO A 246 0.202 0.967 0.320 1.00 0.00 O ATOM 402 CB PRO A 246 1.798 -1.197 2.393 1.00 0.00 C ATOM 403 CG PRO A 246 1.234 -0.391 3.560 1.00 0.00 C ATOM 404 CD PRO A 246 1.911 0.966 3.441 1.00 0.00 C ATOM 0 HA PRO A 246 2.970 -0.423 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 246 1.080 -1.935 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 246 2.697 -1.741 2.682 1.00 0.00 H new ATOM 0 HG2 PRO A 246 0.150 -0.302 3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 246 1.458 -0.865 4.516 1.00 0.00 H new ATOM 0 HD2 PRO A 246 1.226 1.768 3.717 1.00 0.00 H new ATOM 0 HD3 PRO A 246 2.768 1.034 4.111 1.00 0.00 H new ATOM 412 N PRO A 247 0.843 -0.951 -0.662 1.00 0.00 N ATOM 413 CA PRO A 247 -0.279 -1.040 -1.595 1.00 0.00 C ATOM 414 C PRO A 247 -1.606 -1.305 -0.886 1.00 0.00 C ATOM 415 O PRO A 247 -1.649 -1.506 0.328 1.00 0.00 O ATOM 416 CB PRO A 247 -0.002 -2.252 -2.485 1.00 0.00 C ATOM 417 CG PRO A 247 1.458 -2.604 -2.237 1.00 0.00 C ATOM 418 CD PRO A 247 1.719 -2.091 -0.834 1.00 0.00 C ATOM 0 HA PRO A 247 -0.362 -0.098 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 247 -0.657 -3.085 -2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 247 -0.178 -2.018 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 247 1.628 -3.678 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 247 2.114 -2.128 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 247 1.510 -2.861 -0.091 1.00 0.00 H new ATOM 0 HD3 PRO A 247 2.763 -1.804 -0.710 1.00 0.00 H new ATOM 426 N VAL A 248 -2.670 -1.452 -1.668 1.00 0.00 N ATOM 427 CA VAL A 248 -3.903 -2.087 -1.294 1.00 0.00 C ATOM 428 C VAL A 248 -4.318 -3.084 -2.367 1.00 0.00 C ATOM 429 O VAL A 248 -3.841 -3.030 -3.504 1.00 0.00 O ATOM 430 CB VAL A 248 -4.960 -1.007 -1.108 1.00 0.00 C ATOM 431 CG1 VAL A 248 -4.711 -0.314 0.228 1.00 0.00 C ATOM 432 CG2 VAL A 248 -5.041 0.045 -2.228 1.00 0.00 C ATOM 0 H VAL A 248 -2.684 -1.109 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 248 -3.783 -2.637 -0.360 1.00 0.00 H new ATOM 0 HB VAL A 248 -5.922 -1.519 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 248 -5.459 0.464 0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 248 -4.778 -1.044 1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 248 -3.717 0.134 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 248 -5.825 0.765 -1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 248 -4.086 0.563 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 248 -5.270 -0.447 -3.173 1.00 0.00 H new ATOM 442 N ILE A 249 -5.243 -3.963 -1.999 1.00 0.00 N ATOM 443 CA ILE A 249 -5.737 -5.080 -2.764 1.00 0.00 C ATOM 444 C ILE A 249 -7.258 -4.903 -2.780 1.00 0.00 C ATOM 445 O ILE A 249 -7.849 -4.382 -1.824 1.00 0.00 O ATOM 446 CB ILE A 249 -5.225 -6.415 -2.142 1.00 0.00 C ATOM 447 CG1 ILE A 249 -6.041 -6.918 -0.928 1.00 0.00 C ATOM 448 CG2 ILE A 249 -3.742 -6.289 -1.720 1.00 0.00 C ATOM 449 CD1 ILE A 249 -5.664 -8.331 -0.460 1.00 0.00 C ATOM 0 H ILE A 249 -5.695 -3.900 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 249 -5.377 -5.119 -3.792 1.00 0.00 H new ATOM 0 HB ILE A 249 -5.349 -7.152 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -5.904 -6.224 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.100 -6.903 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -3.405 -7.232 -1.289 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -3.134 -6.052 -2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -3.640 -5.495 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -6.282 -8.608 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.829 -9.039 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -4.614 -8.350 -0.170 1.00 0.00 H new ATOM 461 N GLN A 250 -7.899 -5.312 -3.868 1.00 0.00 N ATOM 462 CA GLN A 250 -9.349 -5.429 -3.893 1.00 0.00 C ATOM 463 C GLN A 250 -9.742 -6.501 -2.880 1.00 0.00 C ATOM 464 O GLN A 250 -9.081 -7.540 -2.762 1.00 0.00 O ATOM 465 CB GLN A 250 -9.871 -5.776 -5.299 1.00 0.00 C ATOM 466 CG GLN A 250 -10.012 -4.543 -6.210 1.00 0.00 C ATOM 467 CD GLN A 250 -11.408 -4.458 -6.828 1.00 0.00 C ATOM 468 OE1 GLN A 250 -11.616 -4.738 -8.009 1.00 0.00 O ATOM 469 NE2 GLN A 250 -12.413 -4.098 -6.047 1.00 0.00 N ATOM 0 H GLN A 250 -7.438 -5.567 -4.741 1.00 0.00 H new ATOM 0 HA GLN A 250 -9.801 -4.472 -3.631 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -9.193 -6.490 -5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -10.840 -6.268 -5.210 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -9.813 -3.639 -5.634 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -9.265 -4.588 -7.002 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -12.241 -3.866 -5.069 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -13.360 -4.052 -6.423 1.00 0.00 H new ATOM 478 N ASN A 251 -10.826 -6.247 -2.149 1.00 0.00 N ATOM 479 CA ASN A 251 -11.447 -7.205 -1.270 1.00 0.00 C ATOM 480 C ASN A 251 -11.872 -8.418 -2.081 1.00 0.00 C ATOM 481 O ASN A 251 -12.190 -8.275 -3.261 1.00 0.00 O ATOM 482 CB ASN A 251 -12.722 -6.597 -0.671 1.00 0.00 C ATOM 483 CG ASN A 251 -12.512 -5.507 0.357 1.00 0.00 C ATOM 484 OD1 ASN A 251 -11.874 -4.507 0.086 1.00 0.00 O ATOM 485 ND2 ASN A 251 -13.047 -5.660 1.556 1.00 0.00 N ATOM 0 H ASN A 251 -11.300 -5.344 -2.160 1.00 0.00 H new ATOM 0 HA ASN A 251 -10.740 -7.479 -0.487 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -13.325 -6.192 -1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -13.302 -7.397 -0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -12.927 -4.936 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -13.580 -6.502 1.773 1.00 0.00 H new ATOM 492 N PRO A 252 -12.049 -9.579 -1.433 1.00 0.00 N ATOM 493 CA PRO A 252 -12.626 -10.720 -2.112 1.00 0.00 C ATOM 494 C PRO A 252 -14.075 -10.477 -2.545 1.00 0.00 C ATOM 495 O PRO A 252 -14.532 -11.067 -3.525 1.00 0.00 O ATOM 496 CB PRO A 252 -12.466 -11.897 -1.149 1.00 0.00 C ATOM 497 CG PRO A 252 -12.408 -11.226 0.226 1.00 0.00 C ATOM 498 CD PRO A 252 -11.697 -9.906 -0.060 1.00 0.00 C ATOM 0 HA PRO A 252 -12.115 -10.924 -3.053 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -13.302 -12.592 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -11.560 -12.466 -1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -13.404 -11.066 0.638 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -11.858 -11.832 0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -12.022 -9.125 0.628 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -10.618 -10.005 0.058 1.00 0.00 H new ATOM 506 N GLU A 253 -14.768 -9.579 -1.848 1.00 0.00 N ATOM 507 CA GLU A 253 -16.145 -9.173 -2.077 1.00 0.00 C ATOM 508 C GLU A 253 -16.268 -7.692 -1.717 1.00 0.00 C ATOM 509 O GLU A 253 -16.606 -6.866 -2.563 1.00 0.00 O ATOM 510 CB GLU A 253 -17.071 -10.020 -1.186 1.00 0.00 C ATOM 511 CG GLU A 253 -17.675 -11.231 -1.904 1.00 0.00 C ATOM 512 CD GLU A 253 -18.660 -11.946 -0.979 1.00 0.00 C ATOM 513 OE1 GLU A 253 -18.235 -12.653 -0.028 1.00 0.00 O ATOM 514 OE2 GLU A 253 -19.885 -11.775 -1.145 1.00 0.00 O ATOM 0 H GLU A 253 -14.352 -9.086 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 253 -16.429 -9.322 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -16.509 -10.366 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -17.878 -9.390 -0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -18.184 -10.909 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -16.884 -11.917 -2.207 1.00 0.00 H new ATOM 521 N TYR A 254 -15.946 -7.362 -0.459 1.00 0.00 N ATOM 522 CA TYR A 254 -16.487 -6.206 0.282 1.00 0.00 C ATOM 523 C TYR A 254 -18.027 -6.234 0.347 1.00 0.00 C ATOM 524 O TYR A 254 -18.715 -6.818 -0.491 1.00 0.00 O ATOM 525 CB TYR A 254 -15.873 -4.870 -0.196 1.00 0.00 C ATOM 526 CG TYR A 254 -16.769 -3.649 -0.264 1.00 0.00 C ATOM 527 CD1 TYR A 254 -16.980 -2.839 0.872 1.00 0.00 C ATOM 528 CD2 TYR A 254 -17.305 -3.266 -1.504 1.00 0.00 C ATOM 529 CE1 TYR A 254 -17.730 -1.653 0.766 1.00 0.00 C ATOM 530 CE2 TYR A 254 -18.061 -2.091 -1.622 1.00 0.00 C ATOM 531 CZ TYR A 254 -18.263 -1.275 -0.489 1.00 0.00 C ATOM 532 OH TYR A 254 -18.933 -0.098 -0.619 1.00 0.00 O ATOM 0 H TYR A 254 -15.282 -7.907 0.091 1.00 0.00 H new ATOM 0 HA TYR A 254 -16.169 -6.291 1.321 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -15.038 -4.633 0.464 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -15.457 -5.033 -1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -16.565 -3.130 1.826 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -17.133 -3.882 -2.374 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -17.898 -1.036 1.636 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -18.486 -1.812 -2.575 1.00 0.00 H new ATOM 0 HH TYR A 254 -19.232 0.008 -1.546 1.00 0.00 H new ATOM 542 N LYS A 255 -18.553 -5.639 1.418 1.00 0.00 N ATOM 543 CA LYS A 255 -19.966 -5.610 1.781 1.00 0.00 C ATOM 544 C LYS A 255 -20.356 -4.250 2.355 1.00 0.00 C ATOM 545 O LYS A 255 -21.475 -3.789 2.128 1.00 0.00 O ATOM 546 CB LYS A 255 -20.204 -6.714 2.825 1.00 0.00 C ATOM 547 CG LYS A 255 -21.673 -6.932 3.210 1.00 0.00 C ATOM 548 CD LYS A 255 -22.443 -7.668 2.113 1.00 0.00 C ATOM 549 CE LYS A 255 -23.906 -7.819 2.531 1.00 0.00 C ATOM 550 NZ LYS A 255 -24.530 -9.014 1.934 1.00 0.00 N ATOM 0 H LYS A 255 -17.972 -5.138 2.090 1.00 0.00 H new ATOM 0 HA LYS A 255 -20.579 -5.778 0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -19.801 -7.651 2.440 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -19.640 -6.471 3.725 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -21.725 -7.503 4.137 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -22.145 -5.969 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -22.377 -7.117 1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -22.000 -8.649 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -23.968 -7.882 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -24.462 -6.931 2.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -25.521 -9.079 2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -24.494 -8.943 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -24.015 -9.864 2.241 1.00 0.00 H new ATOM 564 N GLY A 256 -19.450 -3.626 3.111 1.00 0.00 N ATOM 565 CA GLY A 256 -19.800 -2.593 4.064 1.00 0.00 C ATOM 566 C GLY A 256 -20.294 -3.307 5.297 1.00 0.00 C ATOM 567 O GLY A 256 -21.436 -3.803 5.295 1.00 0.00 O ATOM 0 H GLY A 256 -18.451 -3.830 3.073 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -18.937 -1.969 4.295 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -20.570 -1.936 3.660 1.00 0.00 H new TER 571 GLY A 256