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= -0.802 USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 242 LYS NZ :NH3+ 167:sc= -0.0138 (180deg=-0.24) USER MOD Single : A 243 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 244 THR OG1 : rot 180:sc= 0 USER MOD Single : A 246 SER OG : rot -101:sc= 0.904 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 SER OG : rot -114:sc= 1.28 USER MOD Single : A 254 THR OG1 : rot 78:sc= 0.997 USER MOD Single : A 266 SER OG : rot -94:sc= 0.656 USER MOD Single : A 267 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 9.633 15.489 10.159 1.00 0.00 N ATOM 2 CA PRO A 236 8.844 14.530 9.406 1.00 0.00 C ATOM 3 C PRO A 236 7.373 14.587 9.819 1.00 0.00 C ATOM 4 O PRO A 236 7.028 15.218 10.819 1.00 0.00 O ATOM 5 CB PRO A 236 9.488 13.183 9.687 1.00 0.00 C ATOM 6 CG PRO A 236 10.319 13.371 10.944 1.00 0.00 C ATOM 7 CD PRO A 236 10.451 14.864 11.196 1.00 0.00 C ATOM 0 HA PRO A 236 8.838 14.738 8.336 1.00 0.00 H new ATOM 0 HB2 PRO A 236 8.732 12.411 9.831 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.111 12.866 8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 236 9.843 12.881 11.793 1.00 0.00 H new ATOM 0 HG3 PRO A 236 11.302 12.916 10.823 1.00 0.00 H new ATOM 0 HD2 PRO A 236 10.098 15.130 12.192 1.00 0.00 H new ATOM 0 HD3 PRO A 236 11.490 15.187 11.129 1.00 0.00 H new ATOM 16 N THR A 237 6.543 13.920 9.030 1.00 0.00 N ATOM 17 CA THR A 237 5.107 13.947 9.259 1.00 0.00 C ATOM 18 C THR A 237 4.665 15.342 9.703 1.00 0.00 C ATOM 19 O THR A 237 4.411 15.568 10.886 1.00 0.00 O ATOM 20 CB THR A 237 4.770 12.850 10.272 1.00 0.00 C ATOM 21 OG1 THR A 237 5.977 12.677 11.010 1.00 0.00 O ATOM 22 CG2 THR A 237 4.543 11.491 9.608 1.00 0.00 C ATOM 0 H THR A 237 6.837 13.358 8.231 1.00 0.00 H new ATOM 0 HA THR A 237 4.555 13.743 8.342 1.00 0.00 H new ATOM 0 HB THR A 237 3.879 13.134 10.832 1.00 0.00 H new ATOM 0 HG1 THR A 237 5.848 11.984 11.691 1.00 0.00 H new ATOM 0 HG21 THR A 237 4.307 10.748 10.370 1.00 0.00 H new ATOM 0 HG22 THR A 237 3.714 11.564 8.904 1.00 0.00 H new ATOM 0 HG23 THR A 237 5.446 11.191 9.076 1.00 0.00 H new ATOM 30 N ASP A 238 4.585 16.240 8.733 1.00 0.00 N ATOM 31 CA ASP A 238 4.210 17.615 9.016 1.00 0.00 C ATOM 32 C ASP A 238 3.967 18.353 7.698 1.00 0.00 C ATOM 33 O ASP A 238 2.911 18.955 7.505 1.00 0.00 O ATOM 34 CB ASP A 238 5.324 18.346 9.768 1.00 0.00 C ATOM 35 CG ASP A 238 5.066 18.554 11.262 1.00 0.00 C ATOM 36 OD1 ASP A 238 3.936 18.391 11.744 1.00 0.00 O ATOM 37 OD2 ASP A 238 6.101 18.903 11.949 1.00 0.00 O ATOM 0 H ASP A 238 4.773 16.043 7.750 1.00 0.00 H new ATOM 0 HA ASP A 238 3.310 17.600 9.630 1.00 0.00 H new ATOM 0 HB2 ASP A 238 6.251 17.785 9.649 1.00 0.00 H new ATOM 0 HB3 ASP A 238 5.478 19.319 9.302 1.00 0.00 H new ATOM 42 N SER A 239 4.960 18.283 6.824 1.00 0.00 N ATOM 43 CA SER A 239 4.907 19.014 5.570 1.00 0.00 C ATOM 44 C SER A 239 3.800 18.447 4.679 1.00 0.00 C ATOM 45 O SER A 239 2.792 19.108 4.437 1.00 0.00 O ATOM 46 CB SER A 239 6.253 18.960 4.843 1.00 0.00 C ATOM 47 OG SER A 239 6.175 19.519 3.535 1.00 0.00 O ATOM 0 H SER A 239 5.807 17.731 6.960 1.00 0.00 H new ATOM 0 HA SER A 239 4.686 20.058 5.793 1.00 0.00 H new ATOM 0 HB2 SER A 239 7.001 19.500 5.424 1.00 0.00 H new ATOM 0 HB3 SER A 239 6.588 17.925 4.776 1.00 0.00 H new ATOM 0 HG SER A 239 7.054 19.468 3.104 1.00 0.00 H new ATOM 53 N GLY A 240 4.026 17.226 4.216 1.00 0.00 N ATOM 54 CA GLY A 240 3.108 16.600 3.279 1.00 0.00 C ATOM 55 C GLY A 240 1.807 16.191 3.973 1.00 0.00 C ATOM 56 O GLY A 240 0.792 16.871 3.844 1.00 0.00 O ATOM 0 H GLY A 240 4.831 16.654 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 240 2.888 17.290 2.464 1.00 0.00 H new ATOM 0 HA3 GLY A 240 3.579 15.723 2.835 1.00 0.00 H new ATOM 60 N GLU A 241 1.883 15.081 4.693 1.00 0.00 N ATOM 61 CA GLU A 241 0.766 14.644 5.513 1.00 0.00 C ATOM 62 C GLU A 241 -0.260 13.897 4.660 1.00 0.00 C ATOM 63 O GLU A 241 -0.538 12.724 4.903 1.00 0.00 O ATOM 64 CB GLU A 241 0.119 15.829 6.235 1.00 0.00 C ATOM 65 CG GLU A 241 -0.207 15.474 7.686 1.00 0.00 C ATOM 66 CD GLU A 241 -0.918 16.633 8.388 1.00 0.00 C ATOM 67 OE1 GLU A 241 -0.150 17.603 8.752 1.00 0.00 O ATOM 68 OE2 GLU A 241 -2.145 16.592 8.568 1.00 0.00 O ATOM 0 H GLU A 241 2.700 14.472 4.725 1.00 0.00 H new ATOM 0 HA GLU A 241 1.145 13.960 6.272 1.00 0.00 H new ATOM 0 HB2 GLU A 241 0.791 16.687 6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -0.793 16.123 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -0.838 14.585 7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 241 0.712 15.230 8.219 1.00 0.00 H new ATOM 76 N LYS A 242 -0.794 14.607 3.676 1.00 0.00 N ATOM 77 CA LYS A 242 -1.684 13.991 2.707 1.00 0.00 C ATOM 78 C LYS A 242 -0.893 13.004 1.847 1.00 0.00 C ATOM 79 O LYS A 242 -1.381 11.921 1.530 1.00 0.00 O ATOM 80 CB LYS A 242 -2.417 15.063 1.895 1.00 0.00 C ATOM 81 CG LYS A 242 -3.372 14.427 0.885 1.00 0.00 C ATOM 82 CD LYS A 242 -4.145 15.498 0.111 1.00 0.00 C ATOM 83 CE LYS A 242 -5.063 14.863 -0.934 1.00 0.00 C ATOM 84 NZ LYS A 242 -6.104 14.041 -0.278 1.00 0.00 N ATOM 0 H LYS A 242 -0.627 15.603 3.530 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.461 13.420 3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -2.974 15.716 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -1.692 15.687 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -2.809 13.805 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -4.072 13.772 1.404 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -4.736 16.097 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -3.445 16.175 -0.378 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -5.532 15.641 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -4.477 14.244 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -6.842 13.799 -0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -5.676 13.168 0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -6.527 14.578 0.506 1.00 0.00 H new ATOM 98 N MET A 243 0.318 13.413 1.496 1.00 0.00 N ATOM 99 CA MET A 243 1.205 12.554 0.729 1.00 0.00 C ATOM 100 C MET A 243 1.546 11.282 1.509 1.00 0.00 C ATOM 101 O MET A 243 1.653 10.203 0.928 1.00 0.00 O ATOM 102 CB MET A 243 2.492 13.312 0.401 1.00 0.00 C ATOM 103 CG MET A 243 3.371 12.511 -0.562 1.00 0.00 C ATOM 104 SD MET A 243 4.609 11.606 0.353 1.00 0.00 S ATOM 105 CE MET A 243 5.527 10.885 -0.996 1.00 0.00 C ATOM 0 H MET A 243 0.706 14.327 1.729 1.00 0.00 H new ATOM 0 HA MET A 243 0.697 12.268 -0.192 1.00 0.00 H new ATOM 0 HB2 MET A 243 2.247 14.277 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 243 3.043 13.514 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 243 2.757 11.821 -1.140 1.00 0.00 H new ATOM 0 HG3 MET A 243 3.851 13.183 -1.274 1.00 0.00 H new ATOM 0 HE1 MET A 243 6.344 10.283 -0.599 1.00 0.00 H new ATOM 0 HE2 MET A 243 4.866 10.254 -1.590 1.00 0.00 H new ATOM 0 HE3 MET A 243 5.933 11.678 -1.625 1.00 0.00 H new ATOM 115 N THR A 244 1.707 11.452 2.814 1.00 0.00 N ATOM 116 CA THR A 244 2.069 10.338 3.673 1.00 0.00 C ATOM 117 C THR A 244 0.873 9.404 3.868 1.00 0.00 C ATOM 118 O THR A 244 1.032 8.185 3.898 1.00 0.00 O ATOM 119 CB THR A 244 2.614 10.911 4.984 1.00 0.00 C ATOM 120 OG1 THR A 244 3.673 11.770 4.573 1.00 0.00 O ATOM 121 CG2 THR A 244 3.305 9.850 5.843 1.00 0.00 C ATOM 0 H THR A 244 1.593 12.344 3.296 1.00 0.00 H new ATOM 0 HA THR A 244 2.848 9.725 3.220 1.00 0.00 H new ATOM 0 HB THR A 244 1.799 11.362 5.550 1.00 0.00 H new ATOM 0 HG1 THR A 244 4.082 12.185 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 244 3.673 10.308 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 244 2.593 9.062 6.091 1.00 0.00 H new ATOM 0 HG23 THR A 244 4.141 9.422 5.290 1.00 0.00 H new ATOM 129 N LEU A 245 -0.297 10.013 3.997 1.00 0.00 N ATOM 130 CA LEU A 245 -1.541 9.266 3.916 1.00 0.00 C ATOM 131 C LEU A 245 -1.521 8.382 2.668 1.00 0.00 C ATOM 132 O LEU A 245 -1.927 7.222 2.718 1.00 0.00 O ATOM 133 CB LEU A 245 -2.740 10.214 3.981 1.00 0.00 C ATOM 134 CG LEU A 245 -3.509 10.236 5.304 1.00 0.00 C ATOM 135 CD1 LEU A 245 -2.648 10.816 6.429 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.836 10.982 5.154 1.00 0.00 C ATOM 0 H LEU A 245 -0.410 11.014 4.157 1.00 0.00 H new ATOM 0 HA LEU A 245 -1.643 8.602 4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.390 11.225 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.434 9.945 3.185 1.00 0.00 H new ATOM 0 HG LEU A 245 -3.747 9.208 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -3.218 10.820 7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -1.754 10.205 6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -2.358 11.836 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -5.363 10.983 6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.643 12.009 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -5.449 10.486 4.402 1.00 0.00 H new ATOM 148 N SER A 246 -1.047 8.965 1.577 1.00 0.00 N ATOM 149 CA SER A 246 -0.885 8.221 0.341 1.00 0.00 C ATOM 150 C SER A 246 -0.059 6.958 0.594 1.00 0.00 C ATOM 151 O SER A 246 -0.501 5.850 0.288 1.00 0.00 O ATOM 152 CB SER A 246 -0.222 9.080 -0.739 1.00 0.00 C ATOM 153 OG SER A 246 1.116 8.665 -1.003 1.00 0.00 O ATOM 0 H SER A 246 -0.770 9.945 1.524 1.00 0.00 H new ATOM 0 HA SER A 246 -1.874 7.936 -0.017 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.807 9.024 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.223 10.123 -0.424 1.00 0.00 H new ATOM 0 HG SER A 246 1.741 9.269 -0.550 1.00 0.00 H new ATOM 159 N ILE A 247 1.125 7.166 1.150 1.00 0.00 N ATOM 160 CA ILE A 247 2.034 6.062 1.409 1.00 0.00 C ATOM 161 C ILE A 247 1.317 5.000 2.247 1.00 0.00 C ATOM 162 O ILE A 247 1.315 3.823 1.893 1.00 0.00 O ATOM 163 CB ILE A 247 3.330 6.574 2.043 1.00 0.00 C ATOM 164 CG1 ILE A 247 4.040 7.562 1.117 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.239 5.410 2.445 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.486 7.789 1.562 1.00 0.00 C ATOM 0 H ILE A 247 1.476 8.082 1.428 1.00 0.00 H new ATOM 0 HA ILE A 247 2.329 5.584 0.475 1.00 0.00 H new ATOM 0 HB ILE A 247 3.075 7.114 2.955 1.00 0.00 H new ATOM 0 HG12 ILE A 247 4.026 7.183 0.095 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.504 8.511 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.153 5.800 2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.722 4.777 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.490 4.822 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.968 8.496 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.496 8.191 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.026 6.842 1.542 1.00 0.00 H new ATOM 178 N SER A 248 0.726 5.457 3.343 1.00 0.00 N ATOM 179 CA SER A 248 0.051 4.554 4.259 1.00 0.00 C ATOM 180 C SER A 248 -0.960 3.695 3.498 1.00 0.00 C ATOM 181 O SER A 248 -1.232 2.559 3.887 1.00 0.00 O ATOM 182 CB SER A 248 -0.646 5.328 5.380 1.00 0.00 C ATOM 183 OG SER A 248 -1.200 4.459 6.363 1.00 0.00 O ATOM 0 H SER A 248 0.701 6.439 3.616 1.00 0.00 H new ATOM 0 HA SER A 248 0.799 3.904 4.713 1.00 0.00 H new ATOM 0 HB2 SER A 248 0.068 6.002 5.853 1.00 0.00 H new ATOM 0 HB3 SER A 248 -1.437 5.947 4.956 1.00 0.00 H new ATOM 0 HG SER A 248 -1.635 4.991 7.062 1.00 0.00 H new ATOM 189 N VAL A 249 -1.490 4.269 2.429 1.00 0.00 N ATOM 190 CA VAL A 249 -2.502 3.590 1.638 1.00 0.00 C ATOM 191 C VAL A 249 -1.820 2.654 0.638 1.00 0.00 C ATOM 192 O VAL A 249 -1.903 1.434 0.767 1.00 0.00 O ATOM 193 CB VAL A 249 -3.419 4.615 0.969 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.274 3.960 -0.118 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.296 5.324 2.003 1.00 0.00 C ATOM 0 H VAL A 249 -1.238 5.198 2.091 1.00 0.00 H new ATOM 0 HA VAL A 249 -3.136 2.975 2.277 1.00 0.00 H new ATOM 0 HB VAL A 249 -2.789 5.366 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -4.917 4.711 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.625 3.524 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.890 3.178 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -4.938 6.047 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.913 4.590 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.663 5.840 2.724 1.00 0.00 H new ATOM 205 N LEU A 250 -1.160 3.262 -0.337 1.00 0.00 N ATOM 206 CA LEU A 250 -0.643 2.514 -1.470 1.00 0.00 C ATOM 207 C LEU A 250 0.321 1.438 -0.966 1.00 0.00 C ATOM 208 O LEU A 250 0.315 0.312 -1.464 1.00 0.00 O ATOM 209 CB LEU A 250 -0.024 3.462 -2.499 1.00 0.00 C ATOM 210 CG LEU A 250 -1.009 4.300 -3.317 1.00 0.00 C ATOM 211 CD1 LEU A 250 -1.245 5.662 -2.663 1.00 0.00 C ATOM 212 CD2 LEU A 250 -0.541 4.434 -4.767 1.00 0.00 C ATOM 0 H LEU A 250 -0.972 4.264 -0.366 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.451 2.000 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.653 4.139 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.581 2.873 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.967 3.781 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.949 6.237 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 250 -1.654 5.519 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.300 6.201 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -1.258 5.034 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 250 0.435 4.919 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -0.465 3.444 -5.218 1.00 0.00 H new ATOM 224 N LEU A 251 1.126 1.821 0.014 1.00 0.00 N ATOM 225 CA LEU A 251 2.211 0.968 0.466 1.00 0.00 C ATOM 226 C LEU A 251 1.628 -0.269 1.154 1.00 0.00 C ATOM 227 O LEU A 251 2.062 -1.390 0.895 1.00 0.00 O ATOM 228 CB LEU A 251 3.184 1.758 1.344 1.00 0.00 C ATOM 229 CG LEU A 251 4.647 1.315 1.290 1.00 0.00 C ATOM 230 CD1 LEU A 251 4.774 -0.190 1.528 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.303 1.746 -0.024 1.00 0.00 C ATOM 0 H LEU A 251 1.048 2.710 0.507 1.00 0.00 H new ATOM 0 HA LEU A 251 2.798 0.616 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.132 2.808 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.844 1.694 2.378 1.00 0.00 H new ATOM 0 HG LEU A 251 5.184 1.814 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.824 -0.478 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.370 -0.439 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 251 4.218 -0.728 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.343 1.418 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 251 4.771 1.295 -0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 251 5.264 2.832 -0.111 1.00 0.00 H new ATOM 243 N SER A 252 0.655 -0.022 2.018 1.00 0.00 N ATOM 244 CA SER A 252 -0.054 -1.106 2.677 1.00 0.00 C ATOM 245 C SER A 252 -0.826 -1.929 1.645 1.00 0.00 C ATOM 246 O SER A 252 -1.015 -3.132 1.822 1.00 0.00 O ATOM 247 CB SER A 252 -1.006 -0.570 3.749 1.00 0.00 C ATOM 248 OG SER A 252 -2.104 0.139 3.181 1.00 0.00 O ATOM 0 H SER A 252 0.341 0.913 2.277 1.00 0.00 H new ATOM 0 HA SER A 252 0.679 -1.746 3.168 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.381 -1.400 4.348 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.459 0.089 4.423 1.00 0.00 H new ATOM 0 HG SER A 252 -2.045 1.086 3.427 1.00 0.00 H new ATOM 254 N LEU A 253 -1.251 -1.251 0.590 1.00 0.00 N ATOM 255 CA LEU A 253 -1.938 -1.917 -0.502 1.00 0.00 C ATOM 256 C LEU A 253 -0.930 -2.733 -1.312 1.00 0.00 C ATOM 257 O LEU A 253 -1.260 -3.800 -1.830 1.00 0.00 O ATOM 258 CB LEU A 253 -2.724 -0.905 -1.338 1.00 0.00 C ATOM 259 CG LEU A 253 -4.012 -1.422 -1.983 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.738 -2.663 -2.836 1.00 0.00 C ATOM 261 CD2 LEU A 253 -5.088 -1.678 -0.928 1.00 0.00 C ATOM 0 H LEU A 253 -1.132 -0.245 0.468 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.677 -2.618 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.975 -0.056 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -2.071 -0.531 -2.127 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.394 -0.650 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.670 -3.010 -3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -3.028 -2.413 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.321 -3.451 -2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -5.993 -2.045 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.730 -2.422 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.309 -0.750 -0.401 1.00 0.00 H new ATOM 273 N THR A 254 0.281 -2.201 -1.398 1.00 0.00 N ATOM 274 CA THR A 254 1.324 -2.836 -2.186 1.00 0.00 C ATOM 275 C THR A 254 1.909 -4.030 -1.432 1.00 0.00 C ATOM 276 O THR A 254 2.314 -5.017 -2.045 1.00 0.00 O ATOM 277 CB THR A 254 2.364 -1.770 -2.539 1.00 0.00 C ATOM 278 OG1 THR A 254 1.699 -0.935 -3.483 1.00 0.00 O ATOM 279 CG2 THR A 254 3.549 -2.345 -3.319 1.00 0.00 C ATOM 0 H THR A 254 0.563 -1.337 -0.935 1.00 0.00 H new ATOM 0 HA THR A 254 0.926 -3.243 -3.116 1.00 0.00 H new ATOM 0 HB THR A 254 2.725 -1.298 -1.625 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.086 -0.333 -3.012 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.257 -1.548 -3.544 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.042 -3.110 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.192 -2.787 -4.249 1.00 0.00 H new ATOM 287 N VAL A 255 1.936 -3.901 -0.114 1.00 0.00 N ATOM 288 CA VAL A 255 2.362 -5.000 0.736 1.00 0.00 C ATOM 289 C VAL A 255 1.308 -6.108 0.698 1.00 0.00 C ATOM 290 O VAL A 255 1.645 -7.288 0.624 1.00 0.00 O ATOM 291 CB VAL A 255 2.640 -4.488 2.152 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.679 -5.644 3.155 1.00 0.00 C ATOM 293 CG2 VAL A 255 3.938 -3.679 2.197 1.00 0.00 C ATOM 0 H VAL A 255 1.670 -3.053 0.386 1.00 0.00 H new ATOM 0 HA VAL A 255 3.295 -5.427 0.369 1.00 0.00 H new ATOM 0 HB VAL A 255 1.822 -3.826 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 255 2.878 -5.253 4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.719 -6.161 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.468 -6.342 2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.112 -3.327 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.770 -4.309 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.857 -2.824 1.526 1.00 0.00 H new ATOM 303 N PHE A 256 0.053 -5.688 0.750 1.00 0.00 N ATOM 304 CA PHE A 256 -1.054 -6.622 0.630 1.00 0.00 C ATOM 305 C PHE A 256 -1.111 -7.226 -0.776 1.00 0.00 C ATOM 306 O PHE A 256 -1.499 -8.381 -0.944 1.00 0.00 O ATOM 307 CB PHE A 256 -2.338 -5.829 0.882 1.00 0.00 C ATOM 308 CG PHE A 256 -3.619 -6.656 0.741 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.790 -7.776 1.494 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.583 -6.270 -0.134 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.977 -8.543 1.364 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.771 -7.038 -0.264 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.944 -8.157 0.487 1.00 0.00 C ATOM 0 H PHE A 256 -0.222 -4.714 0.874 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.932 -7.437 1.343 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.300 -5.405 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.379 -4.993 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -3.023 -8.081 2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.447 -5.380 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -5.113 -9.433 1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.538 -6.732 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.848 -8.740 0.388 1.00 0.00 H new ATOM 323 N LEU A 257 -0.717 -6.416 -1.749 1.00 0.00 N ATOM 324 CA LEU A 257 -0.632 -6.884 -3.122 1.00 0.00 C ATOM 325 C LEU A 257 0.532 -7.868 -3.250 1.00 0.00 C ATOM 326 O LEU A 257 0.450 -8.838 -4.003 1.00 0.00 O ATOM 327 CB LEU A 257 -0.545 -5.700 -4.087 1.00 0.00 C ATOM 328 CG LEU A 257 -0.584 -6.045 -5.577 1.00 0.00 C ATOM 329 CD1 LEU A 257 -1.986 -6.483 -6.003 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.065 -4.880 -6.422 1.00 0.00 C ATOM 0 H LEU A 257 -0.454 -5.440 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.538 -7.424 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.368 -5.019 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.379 -5.158 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 257 0.082 -6.890 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -1.985 -6.722 -7.066 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.281 -7.364 -5.433 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.693 -5.675 -5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.103 -5.151 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -0.686 -4.001 -6.250 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.964 -4.657 -6.141 1.00 0.00 H new ATOM 342 N LEU A 258 1.589 -7.587 -2.503 1.00 0.00 N ATOM 343 CA LEU A 258 2.727 -8.487 -2.446 1.00 0.00 C ATOM 344 C LEU A 258 2.284 -9.825 -1.851 1.00 0.00 C ATOM 345 O LEU A 258 2.596 -10.884 -2.393 1.00 0.00 O ATOM 346 CB LEU A 258 3.890 -7.835 -1.694 1.00 0.00 C ATOM 347 CG LEU A 258 5.289 -8.337 -2.057 1.00 0.00 C ATOM 348 CD1 LEU A 258 5.827 -7.614 -3.293 1.00 0.00 C ATOM 349 CD2 LEU A 258 6.239 -8.218 -0.865 1.00 0.00 C ATOM 0 H LEU A 258 1.681 -6.747 -1.931 1.00 0.00 H new ATOM 0 HA LEU A 258 3.101 -8.691 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.854 -6.760 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.737 -7.987 -0.626 1.00 0.00 H new ATOM 0 HG LEU A 258 5.218 -9.395 -2.309 1.00 0.00 H new ATOM 0 HD11 LEU A 258 6.823 -7.989 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 258 5.162 -7.793 -4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 258 5.881 -6.544 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 258 7.227 -8.581 -1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 258 6.310 -7.174 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 258 5.858 -8.814 -0.035 1.00 0.00 H new ATOM 361 N VAL A 259 1.562 -9.733 -0.743 1.00 0.00 N ATOM 362 CA VAL A 259 1.062 -10.923 -0.075 1.00 0.00 C ATOM 363 C VAL A 259 0.253 -11.758 -1.069 1.00 0.00 C ATOM 364 O VAL A 259 0.301 -12.987 -1.037 1.00 0.00 O ATOM 365 CB VAL A 259 0.260 -10.527 1.167 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.623 -11.684 1.639 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.186 -10.051 2.288 1.00 0.00 C ATOM 0 H VAL A 259 1.312 -8.853 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 259 1.889 -11.543 0.272 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.392 -9.696 0.896 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -1.183 -11.378 2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.319 -11.958 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.002 -12.542 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.591 -9.776 3.159 1.00 0.00 H new ATOM 0 HG22 VAL A 259 1.874 -10.853 2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 259 1.754 -9.185 1.948 1.00 0.00 H new ATOM 377 N ILE A 260 -0.473 -11.059 -1.929 1.00 0.00 N ATOM 378 CA ILE A 260 -1.337 -11.720 -2.892 1.00 0.00 C ATOM 379 C ILE A 260 -0.478 -12.379 -3.973 1.00 0.00 C ATOM 380 O ILE A 260 -0.753 -13.503 -4.390 1.00 0.00 O ATOM 381 CB ILE A 260 -2.374 -10.740 -3.442 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.482 -10.481 -2.419 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.933 -11.228 -4.781 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.341 -9.284 -2.832 1.00 0.00 C ATOM 0 H ILE A 260 -0.481 -10.040 -1.979 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.908 -12.514 -2.410 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.878 -9.787 -3.627 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.109 -11.368 -2.324 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.041 -10.296 -1.439 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.668 -10.513 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.121 -11.319 -5.503 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.408 -12.199 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.121 -9.122 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.715 -8.394 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.800 -9.482 -3.801 1.00 0.00 H new ATOM 396 N VAL A 261 0.546 -11.650 -4.396 1.00 0.00 N ATOM 397 CA VAL A 261 1.409 -12.124 -5.465 1.00 0.00 C ATOM 398 C VAL A 261 2.238 -13.305 -4.960 1.00 0.00 C ATOM 399 O VAL A 261 2.771 -14.080 -5.753 1.00 0.00 O ATOM 400 CB VAL A 261 2.267 -10.973 -5.992 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.459 -11.498 -6.794 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.429 -10.002 -6.827 1.00 0.00 C ATOM 0 H VAL A 261 0.797 -10.736 -4.018 1.00 0.00 H new ATOM 0 HA VAL A 261 0.815 -12.481 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 261 2.657 -10.427 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 261 4.052 -10.658 -7.157 1.00 0.00 H new ATOM 0 HG12 VAL A 261 4.077 -12.130 -6.156 1.00 0.00 H new ATOM 0 HG13 VAL A 261 3.099 -12.081 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.063 -9.193 -7.190 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.996 -10.532 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.630 -9.589 -6.211 1.00 0.00 H new ATOM 412 N GLU A 262 2.324 -13.406 -3.641 1.00 0.00 N ATOM 413 CA GLU A 262 3.028 -14.515 -3.019 1.00 0.00 C ATOM 414 C GLU A 262 2.131 -15.754 -2.972 1.00 0.00 C ATOM 415 O GLU A 262 2.580 -16.861 -3.264 1.00 0.00 O ATOM 416 CB GLU A 262 3.517 -14.138 -1.619 1.00 0.00 C ATOM 417 CG GLU A 262 4.715 -13.189 -1.693 1.00 0.00 C ATOM 418 CD GLU A 262 5.134 -12.726 -0.297 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.519 -11.677 0.137 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.006 -13.347 0.328 1.00 0.00 O ATOM 0 H GLU A 262 1.918 -12.738 -2.986 1.00 0.00 H new ATOM 0 HA GLU A 262 3.905 -14.748 -3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.708 -13.665 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.796 -15.039 -1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.551 -13.691 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.461 -12.324 -2.306 1.00 0.00 H new ATOM 428 N LEU A 263 0.879 -15.524 -2.601 1.00 0.00 N ATOM 429 CA LEU A 263 -0.038 -16.623 -2.347 1.00 0.00 C ATOM 430 C LEU A 263 -0.532 -17.189 -3.681 1.00 0.00 C ATOM 431 O LEU A 263 -0.751 -18.392 -3.805 1.00 0.00 O ATOM 432 CB LEU A 263 -1.165 -16.174 -1.415 1.00 0.00 C ATOM 433 CG LEU A 263 -0.780 -15.973 0.053 1.00 0.00 C ATOM 434 CD1 LEU A 263 -1.893 -15.254 0.818 1.00 0.00 C ATOM 435 CD2 LEU A 263 -0.402 -17.304 0.708 1.00 0.00 C ATOM 0 H LEU A 263 0.479 -14.595 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 263 0.473 -17.433 -1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.573 -15.237 -1.795 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -1.965 -16.912 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 263 0.102 -15.333 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.594 -15.124 1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.073 -14.278 0.367 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -2.806 -15.847 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.133 -17.133 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.250 -17.987 0.660 1.00 0.00 H new ATOM 0 HD23 LEU A 263 0.446 -17.741 0.181 1.00 0.00 H new ATOM 447 N ILE A 264 -0.693 -16.292 -4.644 1.00 0.00 N ATOM 448 CA ILE A 264 -1.155 -16.687 -5.963 1.00 0.00 C ATOM 449 C ILE A 264 -0.367 -17.914 -6.428 1.00 0.00 C ATOM 450 O ILE A 264 -0.953 -18.946 -6.751 1.00 0.00 O ATOM 451 CB ILE A 264 -1.081 -15.506 -6.932 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.329 -14.628 -6.821 1.00 0.00 C ATOM 453 CG2 ILE A 264 -0.844 -15.986 -8.366 1.00 0.00 C ATOM 454 CD1 ILE A 264 -2.139 -13.306 -7.568 1.00 0.00 C ATOM 0 H ILE A 264 -0.512 -15.294 -4.536 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.205 -16.976 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.226 -14.889 -6.654 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.189 -15.159 -7.228 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.545 -14.429 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -0.796 -15.126 -9.034 1.00 0.00 H new ATOM 0 HG22 ILE A 264 0.095 -16.537 -8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -1.663 -16.637 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -3.041 -12.701 -7.473 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -1.293 -12.766 -7.142 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -1.947 -13.508 -8.622 1.00 0.00 H new ATOM 466 N PRO A 265 0.984 -17.756 -6.449 1.00 0.00 N ATOM 467 CA PRO A 265 1.866 -18.887 -6.677 1.00 0.00 C ATOM 468 C PRO A 265 1.955 -19.774 -5.433 1.00 0.00 C ATOM 469 O PRO A 265 2.904 -19.670 -4.658 1.00 0.00 O ATOM 470 CB PRO A 265 3.201 -18.273 -7.064 1.00 0.00 C ATOM 471 CG PRO A 265 3.150 -16.830 -6.590 1.00 0.00 C ATOM 472 CD PRO A 265 1.704 -16.500 -6.255 1.00 0.00 C ATOM 0 HA PRO A 265 1.504 -19.550 -7.463 1.00 0.00 H new ATOM 0 HB2 PRO A 265 4.027 -18.809 -6.596 1.00 0.00 H new ATOM 0 HB3 PRO A 265 3.357 -18.325 -8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.785 -16.693 -5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 265 3.525 -16.160 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.607 -16.142 -5.230 1.00 0.00 H new ATOM 0 HD3 PRO A 265 1.316 -15.716 -6.905 1.00 0.00 H new ATOM 480 N SER A 266 0.951 -20.627 -5.283 1.00 0.00 N ATOM 481 CA SER A 266 0.949 -21.594 -4.198 1.00 0.00 C ATOM 482 C SER A 266 0.062 -22.786 -4.561 1.00 0.00 C ATOM 483 O SER A 266 0.488 -23.935 -4.459 1.00 0.00 O ATOM 484 CB SER A 266 0.472 -20.957 -2.892 1.00 0.00 C ATOM 485 OG SER A 266 -0.950 -20.896 -2.815 1.00 0.00 O ATOM 0 H SER A 266 0.135 -20.668 -5.894 1.00 0.00 H new ATOM 0 HA SER A 266 1.971 -21.941 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 266 0.856 -21.530 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 266 0.883 -19.951 -2.808 1.00 0.00 H new ATOM 0 HG SER A 266 -1.258 -20.021 -3.133 1.00 0.00 H new ATOM 491 N THR A 267 -1.155 -22.471 -4.982 1.00 0.00 N ATOM 492 CA THR A 267 -2.071 -23.494 -5.455 1.00 0.00 C ATOM 493 C THR A 267 -1.848 -24.803 -4.696 1.00 0.00 C ATOM 494 O THR A 267 -2.515 -25.066 -3.695 1.00 0.00 O ATOM 495 CB THR A 267 -1.886 -23.631 -6.968 1.00 0.00 C ATOM 496 OG1 THR A 267 -2.407 -22.412 -7.493 1.00 0.00 O ATOM 497 CG2 THR A 267 -2.785 -24.711 -7.572 1.00 0.00 C ATOM 0 H THR A 267 -1.527 -21.522 -5.005 1.00 0.00 H new ATOM 0 HA THR A 267 -3.107 -23.216 -5.263 1.00 0.00 H new ATOM 0 HB THR A 267 -0.844 -23.862 -7.187 1.00 0.00 H new ATOM 0 HG1 THR A 267 -2.325 -22.415 -8.470 1.00 0.00 H new ATOM 0 HG21 THR A 267 -2.614 -24.767 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 267 -2.553 -25.674 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 267 -3.829 -24.463 -7.383 1.00 0.00 H new HETATM 505 N NH2 A 268 -0.909 -25.590 -5.199 1.00 0.00 N TER 508 NH2 A 268