USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 268 hydrogens (2 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 237 THR OG1 : rot 180:sc= 0 USER MOD Single : A 239 SER OG : rot 69:sc= 0.497 USER MOD Single : A 242 LYS NZ :NH3+ -152:sc= -0.0695 (180deg=-0.61) USER MOD Single : A 243 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 246 SER OG : rot 180:sc= 0 USER MOD Single : A 248 SER OG : rot 66:sc= 1.17 USER MOD Single : A 252 SER OG : rot 180:sc= 0 USER MOD Single : A 254 THR OG1 : rot 81:sc= 0.886 USER MOD Single : A 266 SER OG : rot -80:sc= 0.961 USER MOD Single : A 267 THR OG1 : rot 180:sc= 0.0789 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 8.354 12.449 3.674 1.00 0.00 N ATOM 2 CA PRO A 236 7.969 13.845 3.796 1.00 0.00 C ATOM 3 C PRO A 236 6.935 14.031 4.908 1.00 0.00 C ATOM 4 O PRO A 236 5.928 14.711 4.716 1.00 0.00 O ATOM 5 CB PRO A 236 7.442 14.229 2.424 1.00 0.00 C ATOM 6 CG PRO A 236 7.118 12.922 1.719 1.00 0.00 C ATOM 7 CD PRO A 236 7.766 11.794 2.507 1.00 0.00 C ATOM 0 HA PRO A 236 8.801 14.489 4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 236 6.555 14.857 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 236 8.185 14.799 1.866 1.00 0.00 H new ATOM 0 HG2 PRO A 236 6.039 12.777 1.661 1.00 0.00 H new ATOM 0 HG3 PRO A 236 7.493 12.937 0.696 1.00 0.00 H new ATOM 0 HD2 PRO A 236 7.032 11.044 2.801 1.00 0.00 H new ATOM 0 HD3 PRO A 236 8.525 11.282 1.915 1.00 0.00 H new ATOM 16 N THR A 237 7.219 13.417 6.047 1.00 0.00 N ATOM 17 CA THR A 237 6.294 13.448 7.166 1.00 0.00 C ATOM 18 C THR A 237 6.322 14.821 7.844 1.00 0.00 C ATOM 19 O THR A 237 7.318 15.538 7.759 1.00 0.00 O ATOM 20 CB THR A 237 6.652 12.299 8.110 1.00 0.00 C ATOM 21 OG1 THR A 237 6.661 11.149 7.268 1.00 0.00 O ATOM 22 CG2 THR A 237 5.547 12.009 9.126 1.00 0.00 C ATOM 0 H THR A 237 8.078 12.894 6.219 1.00 0.00 H new ATOM 0 HA THR A 237 5.266 13.305 6.832 1.00 0.00 H new ATOM 0 HB THR A 237 7.575 12.537 8.638 1.00 0.00 H new ATOM 0 HG1 THR A 237 6.886 10.357 7.799 1.00 0.00 H new ATOM 0 HG21 THR A 237 5.853 11.185 9.771 1.00 0.00 H new ATOM 0 HG22 THR A 237 5.368 12.897 9.732 1.00 0.00 H new ATOM 0 HG23 THR A 237 4.631 11.738 8.600 1.00 0.00 H new ATOM 30 N ASP A 238 5.217 15.144 8.499 1.00 0.00 N ATOM 31 CA ASP A 238 5.125 16.390 9.239 1.00 0.00 C ATOM 32 C ASP A 238 5.283 17.566 8.273 1.00 0.00 C ATOM 33 O ASP A 238 5.659 18.663 8.681 1.00 0.00 O ATOM 34 CB ASP A 238 6.232 16.491 10.289 1.00 0.00 C ATOM 35 CG ASP A 238 5.965 17.488 11.419 1.00 0.00 C ATOM 36 OD1 ASP A 238 5.036 17.141 12.244 1.00 0.00 O ATOM 37 OD2 ASP A 238 6.611 18.543 11.507 1.00 0.00 O ATOM 0 H ASP A 238 4.378 14.565 8.533 1.00 0.00 H new ATOM 0 HA ASP A 238 4.154 16.416 9.734 1.00 0.00 H new ATOM 0 HB2 ASP A 238 6.389 15.504 10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 238 7.160 16.770 9.790 1.00 0.00 H new ATOM 42 N SER A 239 4.986 17.296 7.010 1.00 0.00 N ATOM 43 CA SER A 239 5.148 18.301 5.972 1.00 0.00 C ATOM 44 C SER A 239 4.079 18.117 4.895 1.00 0.00 C ATOM 45 O SER A 239 3.297 19.029 4.630 1.00 0.00 O ATOM 46 CB SER A 239 6.545 18.229 5.350 1.00 0.00 C ATOM 47 OG SER A 239 7.567 18.146 6.341 1.00 0.00 O ATOM 0 H SER A 239 4.634 16.397 6.682 1.00 0.00 H new ATOM 0 HA SER A 239 5.031 19.285 6.427 1.00 0.00 H new ATOM 0 HB2 SER A 239 6.605 17.361 4.693 1.00 0.00 H new ATOM 0 HB3 SER A 239 6.712 19.110 4.730 1.00 0.00 H new ATOM 0 HG SER A 239 7.514 17.279 6.794 1.00 0.00 H new ATOM 53 N GLY A 240 4.077 16.932 4.302 1.00 0.00 N ATOM 54 CA GLY A 240 3.060 16.586 3.323 1.00 0.00 C ATOM 55 C GLY A 240 1.780 16.103 4.010 1.00 0.00 C ATOM 56 O GLY A 240 0.706 16.657 3.789 1.00 0.00 O ATOM 0 H GLY A 240 4.764 16.199 4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 240 2.838 17.453 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 240 3.438 15.807 2.661 1.00 0.00 H new ATOM 60 N GLU A 241 1.939 15.072 4.829 1.00 0.00 N ATOM 61 CA GLU A 241 0.837 14.585 5.639 1.00 0.00 C ATOM 62 C GLU A 241 -0.199 13.882 4.760 1.00 0.00 C ATOM 63 O GLU A 241 -0.384 12.670 4.860 1.00 0.00 O ATOM 64 CB GLU A 241 0.198 15.723 6.438 1.00 0.00 C ATOM 65 CG GLU A 241 -0.240 15.243 7.823 1.00 0.00 C ATOM 66 CD GLU A 241 -0.951 16.359 8.591 1.00 0.00 C ATOM 67 OE1 GLU A 241 -0.288 17.199 9.218 1.00 0.00 O ATOM 68 OE2 GLU A 241 -2.238 16.336 8.519 1.00 0.00 O ATOM 0 H GLU A 241 2.814 14.562 4.948 1.00 0.00 H new ATOM 0 HA GLU A 241 1.230 13.861 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 241 0.909 16.543 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -0.663 16.114 5.896 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -0.906 14.386 7.721 1.00 0.00 H new ATOM 0 HG3 GLU A 241 0.630 14.906 8.387 1.00 0.00 H new ATOM 76 N LYS A 242 -0.846 14.674 3.917 1.00 0.00 N ATOM 77 CA LYS A 242 -1.759 14.126 2.929 1.00 0.00 C ATOM 78 C LYS A 242 -1.009 13.125 2.046 1.00 0.00 C ATOM 79 O LYS A 242 -1.585 12.140 1.590 1.00 0.00 O ATOM 80 CB LYS A 242 -2.436 15.251 2.142 1.00 0.00 C ATOM 81 CG LYS A 242 -3.459 14.690 1.153 1.00 0.00 C ATOM 82 CD LYS A 242 -4.259 15.816 0.494 1.00 0.00 C ATOM 83 CE LYS A 242 -5.428 16.248 1.381 1.00 0.00 C ATOM 84 NZ LYS A 242 -6.420 15.157 1.498 1.00 0.00 N ATOM 0 H LYS A 242 -0.756 15.690 3.898 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.565 13.580 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -2.929 15.936 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -1.683 15.827 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -2.948 14.106 0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -4.137 14.012 1.671 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -3.606 16.668 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -4.635 15.482 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -5.060 16.521 2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -5.902 17.135 0.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -7.363 15.562 1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -6.432 14.603 0.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -6.163 14.538 2.293 1.00 0.00 H new ATOM 98 N MET A 243 0.267 13.414 1.834 1.00 0.00 N ATOM 99 CA MET A 243 1.127 12.504 1.098 1.00 0.00 C ATOM 100 C MET A 243 1.442 11.257 1.925 1.00 0.00 C ATOM 101 O MET A 243 1.448 10.144 1.399 1.00 0.00 O ATOM 102 CB MET A 243 2.430 13.216 0.732 1.00 0.00 C ATOM 103 CG MET A 243 2.166 14.400 -0.202 1.00 0.00 C ATOM 104 SD MET A 243 3.614 14.732 -1.190 1.00 0.00 S ATOM 105 CE MET A 243 4.637 15.550 0.025 1.00 0.00 C ATOM 0 H MET A 243 0.725 14.265 2.159 1.00 0.00 H new ATOM 0 HA MET A 243 0.605 12.194 0.193 1.00 0.00 H new ATOM 0 HB2 MET A 243 2.924 13.567 1.638 1.00 0.00 H new ATOM 0 HB3 MET A 243 3.110 12.513 0.250 1.00 0.00 H new ATOM 0 HG2 MET A 243 1.317 14.181 -0.849 1.00 0.00 H new ATOM 0 HG3 MET A 243 1.903 15.283 0.381 1.00 0.00 H new ATOM 0 HE1 MET A 243 5.589 15.828 -0.428 1.00 0.00 H new ATOM 0 HE2 MET A 243 4.130 16.446 0.383 1.00 0.00 H new ATOM 0 HE3 MET A 243 4.817 14.876 0.862 1.00 0.00 H new ATOM 115 N THR A 244 1.696 11.483 3.206 1.00 0.00 N ATOM 116 CA THR A 244 1.945 10.385 4.124 1.00 0.00 C ATOM 117 C THR A 244 0.772 9.403 4.114 1.00 0.00 C ATOM 118 O THR A 244 0.970 8.194 4.209 1.00 0.00 O ATOM 119 CB THR A 244 2.228 10.980 5.506 1.00 0.00 C ATOM 120 OG1 THR A 244 3.071 12.097 5.237 1.00 0.00 O ATOM 121 CG2 THR A 244 3.089 10.062 6.374 1.00 0.00 C ATOM 0 H THR A 244 1.735 12.410 3.629 1.00 0.00 H new ATOM 0 HA THR A 244 2.815 9.804 3.819 1.00 0.00 H new ATOM 0 HB THR A 244 1.285 11.180 6.015 1.00 0.00 H new ATOM 0 HG1 THR A 244 3.302 12.543 6.079 1.00 0.00 H new ATOM 0 HG21 THR A 244 3.259 10.532 7.343 1.00 0.00 H new ATOM 0 HG22 THR A 244 2.576 9.111 6.517 1.00 0.00 H new ATOM 0 HG23 THR A 244 4.046 9.888 5.882 1.00 0.00 H new ATOM 129 N LEU A 245 -0.424 9.962 3.997 1.00 0.00 N ATOM 130 CA LEU A 245 -1.623 9.147 3.892 1.00 0.00 C ATOM 131 C LEU A 245 -1.546 8.295 2.623 1.00 0.00 C ATOM 132 O LEU A 245 -1.839 7.101 2.655 1.00 0.00 O ATOM 133 CB LEU A 245 -2.875 10.023 3.971 1.00 0.00 C ATOM 134 CG LEU A 245 -3.535 10.129 5.347 1.00 0.00 C ATOM 135 CD1 LEU A 245 -2.668 10.941 6.309 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.950 10.697 5.232 1.00 0.00 C ATOM 0 H LEU A 245 -0.588 10.968 3.973 1.00 0.00 H new ATOM 0 HA LEU A 245 -1.691 8.459 4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.613 11.027 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.611 9.635 3.266 1.00 0.00 H new ATOM 0 HG LEU A 245 -3.623 9.125 5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -3.160 11.001 7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -1.699 10.456 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -2.526 11.946 5.911 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -5.398 10.762 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.908 11.691 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -5.555 10.043 4.603 1.00 0.00 H new ATOM 148 N SER A 246 -1.152 8.943 1.538 1.00 0.00 N ATOM 149 CA SER A 246 -1.066 8.267 0.253 1.00 0.00 C ATOM 150 C SER A 246 -0.097 7.087 0.347 1.00 0.00 C ATOM 151 O SER A 246 -0.327 6.042 -0.259 1.00 0.00 O ATOM 152 CB SER A 246 -0.619 9.233 -0.847 1.00 0.00 C ATOM 153 OG SER A 246 -0.805 8.681 -2.148 1.00 0.00 O ATOM 0 H SER A 246 -0.889 9.928 1.521 1.00 0.00 H new ATOM 0 HA SER A 246 -2.058 7.896 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 246 -1.181 10.163 -0.764 1.00 0.00 H new ATOM 0 HB3 SER A 246 0.433 9.482 -0.706 1.00 0.00 H new ATOM 0 HG SER A 246 -0.510 9.327 -2.823 1.00 0.00 H new ATOM 159 N ILE A 247 0.966 7.294 1.112 1.00 0.00 N ATOM 160 CA ILE A 247 1.945 6.242 1.333 1.00 0.00 C ATOM 161 C ILE A 247 1.326 5.151 2.211 1.00 0.00 C ATOM 162 O ILE A 247 1.445 3.965 1.909 1.00 0.00 O ATOM 163 CB ILE A 247 3.240 6.826 1.898 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.851 7.845 0.932 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.229 5.718 2.262 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.267 8.231 1.366 1.00 0.00 C ATOM 0 H ILE A 247 1.171 8.174 1.586 1.00 0.00 H new ATOM 0 HA ILE A 247 2.220 5.773 0.388 1.00 0.00 H new ATOM 0 HB ILE A 247 3.000 7.359 2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.876 7.428 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.224 8.735 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.141 6.161 2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.784 5.065 3.013 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.468 5.137 1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.678 8.956 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.235 8.670 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.898 7.342 1.381 1.00 0.00 H new ATOM 178 N SER A 248 0.681 5.593 3.280 1.00 0.00 N ATOM 179 CA SER A 248 0.118 4.668 4.250 1.00 0.00 C ATOM 180 C SER A 248 -0.858 3.715 3.558 1.00 0.00 C ATOM 181 O SER A 248 -1.017 2.572 3.981 1.00 0.00 O ATOM 182 CB SER A 248 -0.585 5.418 5.384 1.00 0.00 C ATOM 183 OG SER A 248 0.308 6.276 6.090 1.00 0.00 O ATOM 0 H SER A 248 0.535 6.579 3.496 1.00 0.00 H new ATOM 0 HA SER A 248 0.933 4.090 4.685 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.406 6.007 4.975 1.00 0.00 H new ATOM 0 HB3 SER A 248 -1.022 4.700 6.078 1.00 0.00 H new ATOM 0 HG SER A 248 0.604 6.998 5.498 1.00 0.00 H new ATOM 189 N VAL A 249 -1.484 4.221 2.507 1.00 0.00 N ATOM 190 CA VAL A 249 -2.506 3.460 1.806 1.00 0.00 C ATOM 191 C VAL A 249 -1.849 2.627 0.704 1.00 0.00 C ATOM 192 O VAL A 249 -1.989 1.405 0.677 1.00 0.00 O ATOM 193 CB VAL A 249 -3.591 4.400 1.279 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.525 3.672 0.311 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.376 5.032 2.431 1.00 0.00 C ATOM 0 H VAL A 249 -1.304 5.149 2.123 1.00 0.00 H new ATOM 0 HA VAL A 249 -3.000 2.767 2.487 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.100 5.203 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.287 4.363 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.950 3.294 -0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -5.005 2.839 0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.141 5.696 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.850 4.248 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.697 5.603 3.064 1.00 0.00 H new ATOM 205 N LEU A 250 -1.147 3.321 -0.179 1.00 0.00 N ATOM 206 CA LEU A 250 -0.616 2.691 -1.376 1.00 0.00 C ATOM 207 C LEU A 250 0.429 1.647 -0.977 1.00 0.00 C ATOM 208 O LEU A 250 0.500 0.575 -1.574 1.00 0.00 O ATOM 209 CB LEU A 250 -0.090 3.748 -2.351 1.00 0.00 C ATOM 210 CG LEU A 250 -1.138 4.686 -2.951 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.473 5.856 -3.678 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.103 3.921 -3.858 1.00 0.00 C ATOM 0 H LEU A 250 -0.933 4.314 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.406 2.164 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.656 4.352 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.422 3.238 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.728 5.106 -2.136 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.240 6.508 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.140 6.420 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.156 5.474 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.838 4.611 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.546 3.454 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.614 3.151 -3.279 1.00 0.00 H new ATOM 224 N LEU A 251 1.214 1.999 0.030 1.00 0.00 N ATOM 225 CA LEU A 251 2.282 1.124 0.488 1.00 0.00 C ATOM 226 C LEU A 251 1.673 -0.148 1.081 1.00 0.00 C ATOM 227 O LEU A 251 2.173 -1.247 0.846 1.00 0.00 O ATOM 228 CB LEU A 251 3.210 1.869 1.451 1.00 0.00 C ATOM 229 CG LEU A 251 4.534 1.177 1.775 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.449 1.142 0.549 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.214 1.832 2.979 1.00 0.00 C ATOM 0 H LEU A 251 1.133 2.877 0.542 1.00 0.00 H new ATOM 0 HA LEU A 251 2.909 0.818 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.429 2.849 1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.673 2.038 2.384 1.00 0.00 H new ATOM 0 HG LEU A 251 4.322 0.143 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.384 0.644 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.958 0.596 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.658 2.161 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.154 1.321 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.413 2.881 2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.561 1.761 3.849 1.00 0.00 H new ATOM 243 N SER A 252 0.603 0.043 1.838 1.00 0.00 N ATOM 244 CA SER A 252 -0.109 -1.080 2.424 1.00 0.00 C ATOM 245 C SER A 252 -0.782 -1.903 1.326 1.00 0.00 C ATOM 246 O SER A 252 -0.872 -3.127 1.427 1.00 0.00 O ATOM 247 CB SER A 252 -1.147 -0.602 3.443 1.00 0.00 C ATOM 248 OG SER A 252 -1.851 -1.690 4.036 1.00 0.00 O ATOM 0 H SER A 252 0.212 0.959 2.059 1.00 0.00 H new ATOM 0 HA SER A 252 0.612 -1.707 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 252 -0.651 -0.023 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 252 -1.856 0.065 2.953 1.00 0.00 H new ATOM 0 HG SER A 252 -2.503 -1.345 4.681 1.00 0.00 H new ATOM 254 N LEU A 253 -1.240 -1.201 0.300 1.00 0.00 N ATOM 255 CA LEU A 253 -1.891 -1.854 -0.824 1.00 0.00 C ATOM 256 C LEU A 253 -0.855 -2.661 -1.609 1.00 0.00 C ATOM 257 O LEU A 253 -1.152 -3.752 -2.095 1.00 0.00 O ATOM 258 CB LEU A 253 -2.645 -0.830 -1.675 1.00 0.00 C ATOM 259 CG LEU A 253 -3.931 -1.327 -2.339 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.675 -2.604 -3.142 1.00 0.00 C ATOM 261 CD2 LEU A 253 -5.046 -1.512 -1.308 1.00 0.00 C ATOM 0 H LEU A 253 -1.173 -0.186 0.223 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.644 -2.558 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.892 0.025 -1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.973 -0.469 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.268 -0.566 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.605 -2.936 -3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -2.936 -2.404 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.301 -3.383 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -5.948 -1.866 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.734 -2.243 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.251 -0.560 -0.819 1.00 0.00 H new ATOM 273 N THR A 254 0.338 -2.095 -1.708 1.00 0.00 N ATOM 274 CA THR A 254 1.406 -2.729 -2.464 1.00 0.00 C ATOM 275 C THR A 254 1.943 -3.946 -1.710 1.00 0.00 C ATOM 276 O THR A 254 2.276 -4.961 -2.320 1.00 0.00 O ATOM 277 CB THR A 254 2.474 -1.670 -2.749 1.00 0.00 C ATOM 278 OG1 THR A 254 1.832 -0.762 -3.641 1.00 0.00 O ATOM 279 CG2 THR A 254 3.646 -2.225 -3.561 1.00 0.00 C ATOM 0 H THR A 254 0.590 -1.205 -1.278 1.00 0.00 H new ATOM 0 HA THR A 254 1.043 -3.112 -3.418 1.00 0.00 H new ATOM 0 HB THR A 254 2.845 -1.265 -1.807 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.267 -0.146 -3.130 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.375 -1.434 -3.736 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.118 -3.038 -3.009 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.281 -2.599 -4.517 1.00 0.00 H new ATOM 287 N VAL A 255 2.011 -3.806 -0.395 1.00 0.00 N ATOM 288 CA VAL A 255 2.436 -4.905 0.455 1.00 0.00 C ATOM 289 C VAL A 255 1.394 -6.023 0.395 1.00 0.00 C ATOM 290 O VAL A 255 1.744 -7.197 0.284 1.00 0.00 O ATOM 291 CB VAL A 255 2.691 -4.400 1.877 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.705 -5.559 2.875 1.00 0.00 C ATOM 293 CG2 VAL A 255 3.991 -3.597 1.948 1.00 0.00 C ATOM 0 H VAL A 255 1.779 -2.947 0.104 1.00 0.00 H new ATOM 0 HA VAL A 255 3.379 -5.320 0.099 1.00 0.00 H new ATOM 0 HB VAL A 255 1.872 -3.734 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 255 2.888 -5.173 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.742 -6.070 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.495 -6.261 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.149 -3.250 2.969 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.826 -4.229 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.926 -2.739 1.279 1.00 0.00 H new ATOM 303 N PHE A 256 0.134 -5.618 0.471 1.00 0.00 N ATOM 304 CA PHE A 256 -0.963 -6.568 0.389 1.00 0.00 C ATOM 305 C PHE A 256 -1.009 -7.234 -0.987 1.00 0.00 C ATOM 306 O PHE A 256 -1.334 -8.415 -1.097 1.00 0.00 O ATOM 307 CB PHE A 256 -2.255 -5.778 0.604 1.00 0.00 C ATOM 308 CG PHE A 256 -3.525 -6.624 0.507 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.648 -7.755 1.251 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.534 -6.246 -0.326 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.828 -8.541 1.161 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.712 -7.032 -0.416 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.834 -8.163 0.329 1.00 0.00 C ATOM 0 H PHE A 256 -0.151 -4.646 0.588 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.835 -7.350 1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.220 -5.305 1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.307 -4.978 -0.134 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.848 -8.056 1.911 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.438 -5.348 -0.918 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.926 -9.439 1.754 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.512 -6.732 -1.076 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.731 -8.761 0.260 1.00 0.00 H new ATOM 323 N LEU A 257 -0.680 -6.449 -2.001 1.00 0.00 N ATOM 324 CA LEU A 257 -0.592 -6.971 -3.354 1.00 0.00 C ATOM 325 C LEU A 257 0.550 -7.987 -3.430 1.00 0.00 C ATOM 326 O LEU A 257 0.411 -9.036 -4.057 1.00 0.00 O ATOM 327 CB LEU A 257 -0.464 -5.827 -4.363 1.00 0.00 C ATOM 328 CG LEU A 257 -0.515 -6.226 -5.840 1.00 0.00 C ATOM 329 CD1 LEU A 257 0.860 -6.684 -6.331 1.00 0.00 C ATOM 330 CD2 LEU A 257 -1.592 -7.284 -6.085 1.00 0.00 C ATOM 0 H LEU A 257 -0.471 -5.455 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.508 -7.498 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.263 -5.110 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.478 -5.310 -4.179 1.00 0.00 H new ATOM 0 HG LEU A 257 -0.789 -5.346 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 257 0.797 -6.962 -7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 257 1.578 -5.872 -6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 257 1.187 -7.545 -5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -1.607 -7.550 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -1.372 -8.171 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 257 -2.565 -6.886 -5.797 1.00 0.00 H new ATOM 342 N LEU A 258 1.651 -7.641 -2.780 1.00 0.00 N ATOM 343 CA LEU A 258 2.780 -8.550 -2.684 1.00 0.00 C ATOM 344 C LEU A 258 2.325 -9.855 -2.026 1.00 0.00 C ATOM 345 O LEU A 258 2.590 -10.939 -2.540 1.00 0.00 O ATOM 346 CB LEU A 258 3.952 -7.876 -1.967 1.00 0.00 C ATOM 347 CG LEU A 258 5.349 -8.253 -2.465 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.428 -7.452 -1.732 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.582 -9.761 -2.353 1.00 0.00 C ATOM 0 H LEU A 258 1.785 -6.743 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 258 3.148 -8.805 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.835 -6.796 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.889 -8.116 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 258 5.416 -7.993 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.411 -7.739 -2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.271 -6.387 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.371 -7.658 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.582 -10.002 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.488 -10.067 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.842 -10.289 -2.955 1.00 0.00 H new ATOM 361 N VAL A 259 1.646 -9.705 -0.897 1.00 0.00 N ATOM 362 CA VAL A 259 1.184 -10.857 -0.143 1.00 0.00 C ATOM 363 C VAL A 259 0.318 -11.736 -1.046 1.00 0.00 C ATOM 364 O VAL A 259 0.357 -12.962 -0.946 1.00 0.00 O ATOM 365 CB VAL A 259 0.455 -10.396 1.120 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.413 -11.520 1.693 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.444 -9.881 2.167 1.00 0.00 C ATOM 0 H VAL A 259 1.405 -8.803 -0.487 1.00 0.00 H new ATOM 0 HA VAL A 259 2.028 -11.462 0.188 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.202 -9.571 0.845 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.920 -11.166 2.590 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.154 -11.821 0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.216 -12.374 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.899 -9.560 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.138 -10.678 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.001 -9.038 1.758 1.00 0.00 H new ATOM 377 N ILE A 260 -0.445 -11.077 -1.906 1.00 0.00 N ATOM 378 CA ILE A 260 -1.331 -11.785 -2.814 1.00 0.00 C ATOM 379 C ILE A 260 -0.499 -12.545 -3.847 1.00 0.00 C ATOM 380 O ILE A 260 -0.829 -13.673 -4.208 1.00 0.00 O ATOM 381 CB ILE A 260 -2.347 -10.820 -3.431 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.472 -10.502 -2.444 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.884 -11.363 -4.756 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.297 -9.305 -2.919 1.00 0.00 C ATOM 0 H ILE A 260 -0.468 -10.061 -1.993 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.917 -12.527 -2.272 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.837 -9.882 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.119 -11.372 -2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.050 -10.290 -1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.604 -10.658 -5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.059 -11.496 -5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.373 -12.322 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.090 -9.101 -2.199 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.652 -8.431 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.738 -9.529 -3.890 1.00 0.00 H new ATOM 396 N VAL A 261 0.567 -11.895 -4.295 1.00 0.00 N ATOM 397 CA VAL A 261 1.422 -12.473 -5.317 1.00 0.00 C ATOM 398 C VAL A 261 2.211 -13.638 -4.717 1.00 0.00 C ATOM 399 O VAL A 261 2.710 -14.495 -5.445 1.00 0.00 O ATOM 400 CB VAL A 261 2.320 -11.392 -5.923 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.498 -12.015 -6.671 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.518 -10.462 -6.837 1.00 0.00 C ATOM 0 H VAL A 261 0.857 -10.973 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 261 0.822 -12.873 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 261 2.722 -10.793 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 261 4.120 -11.225 -7.092 1.00 0.00 H new ATOM 0 HG12 VAL A 261 4.091 -12.615 -5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 261 3.124 -12.650 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.180 -9.703 -7.255 1.00 0.00 H new ATOM 0 HG22 VAL A 261 1.074 -11.041 -7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.729 -9.978 -6.262 1.00 0.00 H new ATOM 412 N GLU A 262 2.298 -13.633 -3.394 1.00 0.00 N ATOM 413 CA GLU A 262 2.931 -14.729 -2.682 1.00 0.00 C ATOM 414 C GLU A 262 1.984 -15.927 -2.602 1.00 0.00 C ATOM 415 O GLU A 262 2.401 -17.067 -2.805 1.00 0.00 O ATOM 416 CB GLU A 262 3.378 -14.289 -1.285 1.00 0.00 C ATOM 417 CG GLU A 262 4.600 -13.373 -1.364 1.00 0.00 C ATOM 418 CD GLU A 262 5.017 -12.896 0.029 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.294 -13.132 1.007 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.138 -12.258 0.073 1.00 0.00 O ATOM 0 H GLU A 262 1.940 -12.887 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 262 3.821 -15.030 -3.235 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.561 -13.769 -0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.615 -15.166 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.428 -13.904 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.375 -12.513 -1.995 1.00 0.00 H new ATOM 428 N LEU A 263 0.728 -15.630 -2.307 1.00 0.00 N ATOM 429 CA LEU A 263 -0.242 -16.675 -2.020 1.00 0.00 C ATOM 430 C LEU A 263 -0.717 -17.298 -3.333 1.00 0.00 C ATOM 431 O LEU A 263 -1.039 -18.484 -3.381 1.00 0.00 O ATOM 432 CB LEU A 263 -1.377 -16.128 -1.152 1.00 0.00 C ATOM 433 CG LEU A 263 -1.020 -15.820 0.304 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.094 -14.954 0.961 1.00 0.00 C ATOM 435 CD2 LEU A 263 -0.762 -17.107 1.089 1.00 0.00 C ATOM 0 H LEU A 263 0.358 -14.681 -2.260 1.00 0.00 H new ATOM 0 HA LEU A 263 0.218 -17.473 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.753 -15.215 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.194 -16.850 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.094 -15.245 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.815 -14.750 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.186 -14.013 0.418 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.049 -15.480 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.510 -16.860 2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.657 -17.729 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 263 0.066 -17.651 0.634 1.00 0.00 H new ATOM 447 N ILE A 264 -0.746 -16.470 -4.368 1.00 0.00 N ATOM 448 CA ILE A 264 -1.203 -16.918 -5.673 1.00 0.00 C ATOM 449 C ILE A 264 -0.483 -18.217 -6.040 1.00 0.00 C ATOM 450 O ILE A 264 -1.125 -19.227 -6.326 1.00 0.00 O ATOM 451 CB ILE A 264 -1.033 -15.806 -6.711 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.239 -14.866 -6.708 1.00 0.00 C ATOM 453 CG2 ILE A 264 -0.763 -16.390 -8.099 1.00 0.00 C ATOM 454 CD1 ILE A 264 -1.966 -13.621 -7.555 1.00 0.00 C ATOM 0 H ILE A 264 -0.460 -15.492 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.270 -17.139 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.161 -15.211 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.113 -15.389 -7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.472 -14.570 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -0.646 -15.579 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 264 0.149 -16.986 -8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -1.600 -17.022 -8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -2.839 -12.969 -7.536 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -1.106 -13.087 -7.151 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -1.758 -13.919 -8.583 1.00 0.00 H new ATOM 466 N PRO A 265 0.875 -18.148 -6.021 1.00 0.00 N ATOM 467 CA PRO A 265 1.688 -19.345 -6.153 1.00 0.00 C ATOM 468 C PRO A 265 1.677 -20.161 -4.859 1.00 0.00 C ATOM 469 O PRO A 265 2.684 -20.228 -4.156 1.00 0.00 O ATOM 470 CB PRO A 265 3.073 -18.841 -6.528 1.00 0.00 C ATOM 471 CG PRO A 265 3.101 -17.371 -6.137 1.00 0.00 C ATOM 472 CD PRO A 265 1.670 -16.932 -5.874 1.00 0.00 C ATOM 0 HA PRO A 265 1.309 -20.029 -6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 265 3.848 -19.400 -6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 265 3.258 -18.965 -7.595 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.715 -17.224 -5.248 1.00 0.00 H new ATOM 0 HG3 PRO A 265 3.544 -16.772 -6.933 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.563 -16.508 -4.876 1.00 0.00 H new ATOM 0 HD3 PRO A 265 1.355 -16.165 -6.582 1.00 0.00 H new ATOM 480 N SER A 266 0.528 -20.759 -4.584 1.00 0.00 N ATOM 481 CA SER A 266 0.399 -21.640 -3.435 1.00 0.00 C ATOM 482 C SER A 266 -0.950 -22.361 -3.478 1.00 0.00 C ATOM 483 O SER A 266 -1.013 -23.576 -3.301 1.00 0.00 O ATOM 484 CB SER A 266 0.543 -20.861 -2.126 1.00 0.00 C ATOM 485 OG SER A 266 -0.720 -20.480 -1.589 1.00 0.00 O ATOM 0 H SER A 266 -0.323 -20.651 -5.137 1.00 0.00 H new ATOM 0 HA SER A 266 1.200 -22.378 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 266 1.077 -21.472 -1.398 1.00 0.00 H new ATOM 0 HB3 SER A 266 1.147 -19.970 -2.299 1.00 0.00 H new ATOM 0 HG SER A 266 -1.046 -19.682 -2.055 1.00 0.00 H new ATOM 491 N THR A 267 -1.994 -21.581 -3.713 1.00 0.00 N ATOM 492 CA THR A 267 -3.341 -22.125 -3.753 1.00 0.00 C ATOM 493 C THR A 267 -3.595 -22.823 -5.089 1.00 0.00 C ATOM 494 O THR A 267 -2.898 -22.568 -6.070 1.00 0.00 O ATOM 495 CB THR A 267 -4.321 -20.985 -3.467 1.00 0.00 C ATOM 496 OG1 THR A 267 -3.870 -19.923 -4.301 1.00 0.00 O ATOM 497 CG2 THR A 267 -4.177 -20.431 -2.048 1.00 0.00 C ATOM 0 H THR A 267 -1.935 -20.576 -3.878 1.00 0.00 H new ATOM 0 HA THR A 267 -3.480 -22.891 -2.990 1.00 0.00 H new ATOM 0 HB THR A 267 -5.341 -21.337 -3.617 1.00 0.00 H new ATOM 0 HG1 THR A 267 -4.451 -19.143 -4.180 1.00 0.00 H new ATOM 0 HG21 THR A 267 -4.895 -19.625 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 267 -4.367 -21.225 -1.326 1.00 0.00 H new ATOM 0 HG23 THR A 267 -3.166 -20.047 -1.908 1.00 0.00 H new HETATM 505 N NH2 A 268 -4.595 -23.695 -5.087 1.00 0.00 N TER 508 NH2 A 268