USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=9 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 -50:sc= 0.658 USER MOD Single : A 242 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 243 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 244 THR OG1 : rot -100:sc= -1.63 USER MOD Single : A 246 SER OG : rot -50:sc= 1.14 USER MOD Single : A 248 SER OG : rot 90:sc= 1.21 USER MOD Single : A 252 SER OG : rot 11:sc= 1.02 USER MOD Single : A 254 THR OG1 : rot 80:sc= 0.893 USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD Single : A 267 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 -0.852 20.215 12.608 1.00 0.00 N ATOM 2 CA PRO A 236 0.041 19.269 13.252 1.00 0.00 C ATOM 3 C PRO A 236 1.099 18.761 12.272 1.00 0.00 C ATOM 4 O PRO A 236 2.290 18.764 12.581 1.00 0.00 O ATOM 5 CB PRO A 236 -0.863 18.165 13.774 1.00 0.00 C ATOM 6 CG PRO A 236 -2.168 18.295 13.005 1.00 0.00 C ATOM 7 CD PRO A 236 -2.167 19.649 12.311 1.00 0.00 C ATOM 0 HA PRO A 236 0.611 19.717 14.066 1.00 0.00 H new ATOM 0 HB2 PRO A 236 -0.413 17.185 13.616 1.00 0.00 H new ATOM 0 HB3 PRO A 236 -1.029 18.271 14.846 1.00 0.00 H new ATOM 0 HG2 PRO A 236 -2.262 17.492 12.274 1.00 0.00 H new ATOM 0 HG3 PRO A 236 -3.019 18.213 13.681 1.00 0.00 H new ATOM 0 HD2 PRO A 236 -2.320 19.544 11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 236 -2.967 20.287 12.686 1.00 0.00 H new ATOM 16 N THR A 237 0.629 18.337 11.108 1.00 0.00 N ATOM 17 CA THR A 237 1.511 17.761 10.108 1.00 0.00 C ATOM 18 C THR A 237 2.130 16.462 10.627 1.00 0.00 C ATOM 19 O THR A 237 2.886 16.475 11.598 1.00 0.00 O ATOM 20 CB THR A 237 2.549 18.820 9.728 1.00 0.00 C ATOM 21 OG1 THR A 237 1.781 20.006 9.538 1.00 0.00 O ATOM 22 CG2 THR A 237 3.178 18.558 8.357 1.00 0.00 C ATOM 0 H THR A 237 -0.353 18.381 10.835 1.00 0.00 H new ATOM 0 HA THR A 237 0.962 17.485 9.208 1.00 0.00 H new ATOM 0 HB THR A 237 3.332 18.850 10.486 1.00 0.00 H new ATOM 0 HG1 THR A 237 2.376 20.745 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 237 3.907 19.338 8.136 1.00 0.00 H new ATOM 0 HG22 THR A 237 3.675 17.588 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 237 2.400 18.561 7.593 1.00 0.00 H new ATOM 30 N ASP A 238 1.786 15.371 9.959 1.00 0.00 N ATOM 31 CA ASP A 238 2.289 14.065 10.348 1.00 0.00 C ATOM 32 C ASP A 238 3.734 13.916 9.866 1.00 0.00 C ATOM 33 O ASP A 238 4.667 13.959 10.668 1.00 0.00 O ATOM 34 CB ASP A 238 1.462 12.945 9.713 1.00 0.00 C ATOM 35 CG ASP A 238 0.462 12.269 10.653 1.00 0.00 C ATOM 36 OD1 ASP A 238 -0.670 12.744 10.832 1.00 0.00 O ATOM 37 OD2 ASP A 238 0.891 11.194 11.223 1.00 0.00 O ATOM 0 H ASP A 238 1.165 15.365 9.150 1.00 0.00 H new ATOM 0 HA ASP A 238 2.227 13.989 11.434 1.00 0.00 H new ATOM 0 HB2 ASP A 238 0.918 13.353 8.861 1.00 0.00 H new ATOM 0 HB3 ASP A 238 2.142 12.187 9.324 1.00 0.00 H new ATOM 42 N SER A 239 3.875 13.742 8.560 1.00 0.00 N ATOM 43 CA SER A 239 5.190 13.594 7.962 1.00 0.00 C ATOM 44 C SER A 239 5.072 13.573 6.437 1.00 0.00 C ATOM 45 O SER A 239 5.735 12.780 5.771 1.00 0.00 O ATOM 46 CB SER A 239 5.881 12.324 8.459 1.00 0.00 C ATOM 47 OG SER A 239 7.204 12.199 7.944 1.00 0.00 O ATOM 0 H SER A 239 3.099 13.700 7.899 1.00 0.00 H new ATOM 0 HA SER A 239 5.800 14.447 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 239 5.915 12.333 9.548 1.00 0.00 H new ATOM 0 HB3 SER A 239 5.294 11.454 8.166 1.00 0.00 H new ATOM 0 HG SER A 239 7.190 12.324 6.972 1.00 0.00 H new ATOM 53 N GLY A 240 4.223 14.454 5.928 1.00 0.00 N ATOM 54 CA GLY A 240 3.964 14.505 4.500 1.00 0.00 C ATOM 55 C GLY A 240 2.493 14.817 4.218 1.00 0.00 C ATOM 56 O GLY A 240 2.145 15.250 3.122 1.00 0.00 O ATOM 0 H GLY A 240 3.706 15.138 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 240 4.595 15.265 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 240 4.230 13.551 4.045 1.00 0.00 H new ATOM 60 N GLU A 241 1.668 14.584 5.230 1.00 0.00 N ATOM 61 CA GLU A 241 0.268 14.965 5.155 1.00 0.00 C ATOM 62 C GLU A 241 -0.468 14.091 4.139 1.00 0.00 C ATOM 63 O GLU A 241 -0.420 12.865 4.219 1.00 0.00 O ATOM 64 CB GLU A 241 0.121 16.449 4.812 1.00 0.00 C ATOM 65 CG GLU A 241 0.982 17.314 5.736 1.00 0.00 C ATOM 66 CD GLU A 241 0.700 18.800 5.514 1.00 0.00 C ATOM 67 OE1 GLU A 241 -0.363 19.246 6.093 1.00 0.00 O ATOM 68 OE2 GLU A 241 1.470 19.481 4.819 1.00 0.00 O ATOM 0 H GLU A 241 1.943 14.137 6.105 1.00 0.00 H new ATOM 0 HA GLU A 241 -0.184 14.806 6.134 1.00 0.00 H new ATOM 0 HB2 GLU A 241 0.412 16.617 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -0.924 16.745 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 241 0.782 17.053 6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 241 2.037 17.109 5.554 1.00 0.00 H new ATOM 76 N LYS A 242 -1.131 14.757 3.205 1.00 0.00 N ATOM 77 CA LYS A 242 -1.795 14.059 2.118 1.00 0.00 C ATOM 78 C LYS A 242 -0.852 12.998 1.546 1.00 0.00 C ATOM 79 O LYS A 242 -1.289 11.916 1.158 1.00 0.00 O ATOM 80 CB LYS A 242 -2.306 15.055 1.074 1.00 0.00 C ATOM 81 CG LYS A 242 -2.951 14.328 -0.108 1.00 0.00 C ATOM 82 CD LYS A 242 -3.639 15.317 -1.050 1.00 0.00 C ATOM 83 CE LYS A 242 -5.041 15.670 -0.547 1.00 0.00 C ATOM 84 NZ LYS A 242 -5.704 16.609 -1.478 1.00 0.00 N ATOM 0 H LYS A 242 -1.222 15.773 3.179 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.678 13.536 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -3.032 15.727 1.532 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -1.480 15.672 0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -2.191 13.769 -0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -3.678 13.604 0.259 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -3.039 16.224 -1.132 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -3.705 14.887 -2.049 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -5.638 14.763 -0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -4.976 16.117 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -6.654 16.838 -1.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -5.142 17.481 -1.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -5.783 16.169 -2.417 1.00 0.00 H new ATOM 98 N MET A 243 0.426 13.347 1.510 1.00 0.00 N ATOM 99 CA MET A 243 1.442 12.419 1.045 1.00 0.00 C ATOM 100 C MET A 243 1.549 11.210 1.976 1.00 0.00 C ATOM 101 O MET A 243 1.500 10.066 1.525 1.00 0.00 O ATOM 102 CB MET A 243 2.794 13.132 0.977 1.00 0.00 C ATOM 103 CG MET A 243 3.788 12.345 0.120 1.00 0.00 C ATOM 104 SD MET A 243 5.355 13.195 0.067 1.00 0.00 S ATOM 105 CE MET A 243 6.163 12.446 1.473 1.00 0.00 C ATOM 0 H MET A 243 0.781 14.260 1.795 1.00 0.00 H new ATOM 0 HA MET A 243 1.157 12.066 0.054 1.00 0.00 H new ATOM 0 HB2 MET A 243 2.662 14.131 0.561 1.00 0.00 H new ATOM 0 HB3 MET A 243 3.195 13.256 1.983 1.00 0.00 H new ATOM 0 HG2 MET A 243 3.922 11.344 0.530 1.00 0.00 H new ATOM 0 HG3 MET A 243 3.395 12.226 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 243 7.162 12.867 1.585 1.00 0.00 H new ATOM 0 HE2 MET A 243 5.583 12.644 2.374 1.00 0.00 H new ATOM 0 HE3 MET A 243 6.238 11.370 1.319 1.00 0.00 H new ATOM 115 N THR A 244 1.695 11.504 3.261 1.00 0.00 N ATOM 116 CA THR A 244 1.823 10.455 4.258 1.00 0.00 C ATOM 117 C THR A 244 0.637 9.491 4.174 1.00 0.00 C ATOM 118 O THR A 244 0.796 8.287 4.368 1.00 0.00 O ATOM 119 CB THR A 244 1.967 11.122 5.627 1.00 0.00 C ATOM 120 OG1 THR A 244 3.249 11.741 5.579 1.00 0.00 O ATOM 121 CG2 THR A 244 2.087 10.105 6.765 1.00 0.00 C ATOM 0 H THR A 244 1.727 12.453 3.633 1.00 0.00 H new ATOM 0 HA THR A 244 2.709 9.846 4.081 1.00 0.00 H new ATOM 0 HB THR A 244 1.108 11.769 5.807 1.00 0.00 H new ATOM 0 HG1 THR A 244 3.901 11.180 6.049 1.00 0.00 H new ATOM 0 HG21 THR A 244 2.187 10.631 7.714 1.00 0.00 H new ATOM 0 HG22 THR A 244 1.195 9.479 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 244 2.965 9.479 6.603 1.00 0.00 H new ATOM 129 N LEU A 245 -0.525 10.056 3.883 1.00 0.00 N ATOM 130 CA LEU A 245 -1.731 9.259 3.743 1.00 0.00 C ATOM 131 C LEU A 245 -1.591 8.341 2.527 1.00 0.00 C ATOM 132 O LEU A 245 -1.851 7.143 2.617 1.00 0.00 O ATOM 133 CB LEU A 245 -2.967 10.161 3.692 1.00 0.00 C ATOM 134 CG LEU A 245 -3.572 10.544 5.046 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.402 11.824 4.932 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.381 9.386 5.632 1.00 0.00 C ATOM 0 H LEU A 245 -0.657 11.057 3.740 1.00 0.00 H new ATOM 0 HA LEU A 245 -1.867 8.618 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.703 11.076 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.734 9.660 3.102 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.757 10.750 5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.821 12.074 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.766 12.641 4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.211 11.670 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.800 9.684 6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -5.190 9.125 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.731 8.522 5.772 1.00 0.00 H new ATOM 148 N SER A 246 -1.182 8.939 1.418 1.00 0.00 N ATOM 149 CA SER A 246 -1.060 8.203 0.171 1.00 0.00 C ATOM 150 C SER A 246 -0.092 7.030 0.350 1.00 0.00 C ATOM 151 O SER A 246 -0.313 5.951 -0.197 1.00 0.00 O ATOM 152 CB SER A 246 -0.585 9.113 -0.963 1.00 0.00 C ATOM 153 OG SER A 246 0.789 9.466 -0.827 1.00 0.00 O ATOM 0 H SER A 246 -0.931 9.926 1.357 1.00 0.00 H new ATOM 0 HA SER A 246 -2.044 7.819 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.737 8.611 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 246 -1.192 10.018 -0.979 1.00 0.00 H new ATOM 0 HG SER A 246 0.955 9.791 0.083 1.00 0.00 H new ATOM 159 N ILE A 247 0.959 7.283 1.117 1.00 0.00 N ATOM 160 CA ILE A 247 1.951 6.257 1.385 1.00 0.00 C ATOM 161 C ILE A 247 1.353 5.210 2.329 1.00 0.00 C ATOM 162 O ILE A 247 1.453 4.011 2.075 1.00 0.00 O ATOM 163 CB ILE A 247 3.244 6.887 1.908 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.844 7.843 0.876 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.242 5.810 2.340 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.266 8.250 1.265 1.00 0.00 C ATOM 0 H ILE A 247 1.144 8.183 1.560 1.00 0.00 H new ATOM 0 HA ILE A 247 2.223 5.740 0.465 1.00 0.00 H new ATOM 0 HB ILE A 247 3.004 7.477 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.854 7.366 -0.104 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.218 8.731 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.152 6.284 2.708 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.803 5.204 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.483 5.174 1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.668 8.930 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.249 8.749 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.895 7.362 1.325 1.00 0.00 H new ATOM 178 N SER A 248 0.743 5.702 3.397 1.00 0.00 N ATOM 179 CA SER A 248 0.213 4.825 4.427 1.00 0.00 C ATOM 180 C SER A 248 -0.753 3.813 3.807 1.00 0.00 C ATOM 181 O SER A 248 -0.908 2.704 4.315 1.00 0.00 O ATOM 182 CB SER A 248 -0.489 5.626 5.525 1.00 0.00 C ATOM 183 OG SER A 248 0.421 6.448 6.250 1.00 0.00 O ATOM 0 H SER A 248 0.604 6.697 3.571 1.00 0.00 H new ATOM 0 HA SER A 248 1.046 4.290 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.265 6.249 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 248 -0.986 4.941 6.212 1.00 0.00 H new ATOM 0 HG SER A 248 0.488 7.324 5.815 1.00 0.00 H new ATOM 189 N VAL A 249 -1.381 4.234 2.717 1.00 0.00 N ATOM 190 CA VAL A 249 -2.394 3.415 2.075 1.00 0.00 C ATOM 191 C VAL A 249 -1.743 2.574 0.975 1.00 0.00 C ATOM 192 O VAL A 249 -1.837 1.348 0.987 1.00 0.00 O ATOM 193 CB VAL A 249 -3.530 4.299 1.558 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.479 3.503 0.659 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.289 4.949 2.716 1.00 0.00 C ATOM 0 H VAL A 249 -1.207 5.131 2.264 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.837 2.724 2.792 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.088 5.095 0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.277 4.155 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.927 3.109 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.909 2.677 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.091 5.572 2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.713 4.174 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.605 5.565 3.299 1.00 0.00 H new ATOM 205 N LEU A 250 -1.095 3.267 0.049 1.00 0.00 N ATOM 206 CA LEU A 250 -0.607 2.627 -1.160 1.00 0.00 C ATOM 207 C LEU A 250 0.479 1.615 -0.793 1.00 0.00 C ATOM 208 O LEU A 250 0.578 0.553 -1.407 1.00 0.00 O ATOM 209 CB LEU A 250 -0.152 3.678 -2.176 1.00 0.00 C ATOM 210 CG LEU A 250 -1.246 4.591 -2.731 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.639 5.794 -3.456 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.211 3.811 -3.625 1.00 0.00 C ATOM 0 H LEU A 250 -0.897 4.266 0.113 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.408 2.072 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.611 4.301 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.324 3.165 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.826 4.978 -1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.438 6.428 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 250 -0.025 6.366 -2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.021 5.446 -4.284 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.979 4.484 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.662 3.376 -4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.681 3.016 -3.046 1.00 0.00 H new ATOM 224 N LEU A 251 1.268 1.978 0.208 1.00 0.00 N ATOM 225 CA LEU A 251 2.364 1.129 0.642 1.00 0.00 C ATOM 226 C LEU A 251 1.800 -0.169 1.224 1.00 0.00 C ATOM 227 O LEU A 251 2.271 -1.256 0.896 1.00 0.00 O ATOM 228 CB LEU A 251 3.280 1.887 1.606 1.00 0.00 C ATOM 229 CG LEU A 251 4.732 1.412 1.665 1.00 0.00 C ATOM 230 CD1 LEU A 251 4.807 -0.094 1.922 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.493 1.816 0.400 1.00 0.00 C ATOM 0 H LEU A 251 1.170 2.848 0.731 1.00 0.00 H new ATOM 0 HA LEU A 251 2.990 0.853 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.274 2.941 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.856 1.819 2.608 1.00 0.00 H new ATOM 0 HG LEU A 251 5.219 1.906 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 251 5.851 -0.405 1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.325 -0.325 2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 251 4.298 -0.626 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.523 1.466 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.014 1.369 -0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 251 5.484 2.901 0.301 1.00 0.00 H new ATOM 243 N SER A 252 0.798 -0.011 2.075 1.00 0.00 N ATOM 244 CA SER A 252 0.138 -1.158 2.676 1.00 0.00 C ATOM 245 C SER A 252 -0.611 -1.951 1.601 1.00 0.00 C ATOM 246 O SER A 252 -0.748 -3.168 1.706 1.00 0.00 O ATOM 247 CB SER A 252 -0.825 -0.725 3.782 1.00 0.00 C ATOM 248 OG SER A 252 -1.682 0.333 3.360 1.00 0.00 O ATOM 0 H SER A 252 0.426 0.894 2.363 1.00 0.00 H new ATOM 0 HA SER A 252 0.900 -1.794 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.428 -1.578 4.092 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.255 -0.404 4.654 1.00 0.00 H new ATOM 0 HG SER A 252 -1.602 0.452 2.391 1.00 0.00 H new ATOM 254 N LEU A 253 -1.077 -1.227 0.594 1.00 0.00 N ATOM 255 CA LEU A 253 -1.777 -1.851 -0.515 1.00 0.00 C ATOM 256 C LEU A 253 -0.785 -2.671 -1.342 1.00 0.00 C ATOM 257 O LEU A 253 -1.115 -3.756 -1.818 1.00 0.00 O ATOM 258 CB LEU A 253 -2.536 -0.802 -1.329 1.00 0.00 C ATOM 259 CG LEU A 253 -3.841 -1.270 -1.974 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.618 -2.525 -2.819 1.00 0.00 C ATOM 261 CD2 LEU A 253 -4.932 -1.473 -0.920 1.00 0.00 C ATOM 0 H LEU A 253 -0.983 -0.214 0.523 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.534 -2.543 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.758 0.043 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.877 -0.434 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.187 -0.487 -2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.563 -2.836 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -2.897 -2.309 -3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.235 -3.326 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -5.849 -1.806 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.608 -2.226 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.117 -0.532 -0.402 1.00 0.00 H new ATOM 273 N THR A 254 0.412 -2.122 -1.486 1.00 0.00 N ATOM 274 CA THR A 254 1.447 -2.776 -2.268 1.00 0.00 C ATOM 275 C THR A 254 1.962 -4.019 -1.539 1.00 0.00 C ATOM 276 O THR A 254 2.258 -5.033 -2.169 1.00 0.00 O ATOM 277 CB THR A 254 2.541 -1.746 -2.560 1.00 0.00 C ATOM 278 OG1 THR A 254 1.920 -0.822 -3.449 1.00 0.00 O ATOM 279 CG2 THR A 254 3.693 -2.333 -3.380 1.00 0.00 C ATOM 0 H THR A 254 0.688 -1.231 -1.074 1.00 0.00 H new ATOM 0 HA THR A 254 1.056 -3.135 -3.220 1.00 0.00 H new ATOM 0 HB THR A 254 2.927 -1.351 -1.620 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.362 -0.200 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.442 -1.562 -3.560 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.147 -3.158 -2.831 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.312 -2.698 -4.334 1.00 0.00 H new ATOM 287 N VAL A 255 2.051 -3.898 -0.223 1.00 0.00 N ATOM 288 CA VAL A 255 2.458 -5.020 0.605 1.00 0.00 C ATOM 289 C VAL A 255 1.396 -6.117 0.529 1.00 0.00 C ATOM 290 O VAL A 255 1.722 -7.292 0.366 1.00 0.00 O ATOM 291 CB VAL A 255 2.727 -4.544 2.035 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.739 -5.723 3.011 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.034 -3.754 2.113 1.00 0.00 C ATOM 0 H VAL A 255 1.848 -3.040 0.290 1.00 0.00 H new ATOM 0 HA VAL A 255 3.391 -5.447 0.238 1.00 0.00 H new ATOM 0 HB VAL A 255 1.915 -3.877 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 255 2.932 -5.358 4.020 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.772 -6.226 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.521 -6.426 2.723 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.201 -3.428 3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.862 -4.388 1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.972 -2.883 1.461 1.00 0.00 H new ATOM 303 N PHE A 256 0.146 -5.696 0.651 1.00 0.00 N ATOM 304 CA PHE A 256 -0.968 -6.624 0.571 1.00 0.00 C ATOM 305 C PHE A 256 -1.062 -7.248 -0.823 1.00 0.00 C ATOM 306 O PHE A 256 -1.428 -8.414 -0.962 1.00 0.00 O ATOM 307 CB PHE A 256 -2.242 -5.821 0.843 1.00 0.00 C ATOM 308 CG PHE A 256 -3.530 -6.637 0.728 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.690 -7.764 1.474 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.516 -6.238 -0.118 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.885 -8.524 1.367 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.712 -6.995 -0.224 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.872 -8.123 0.522 1.00 0.00 C ATOM 0 H PHE A 256 -0.120 -4.723 0.805 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.833 -7.429 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.183 -5.394 1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.289 -4.987 0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.908 -8.081 2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.389 -5.344 -0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -5.010 -9.420 1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.495 -6.676 -0.896 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.782 -8.699 0.443 1.00 0.00 H new ATOM 323 N LEU A 257 -0.725 -6.444 -1.821 1.00 0.00 N ATOM 324 CA LEU A 257 -0.685 -6.926 -3.191 1.00 0.00 C ATOM 325 C LEU A 257 0.453 -7.938 -3.338 1.00 0.00 C ATOM 326 O LEU A 257 0.318 -8.928 -4.055 1.00 0.00 O ATOM 327 CB LEU A 257 -0.595 -5.752 -4.168 1.00 0.00 C ATOM 328 CG LEU A 257 -0.720 -6.106 -5.652 1.00 0.00 C ATOM 329 CD1 LEU A 257 -1.504 -5.031 -6.407 1.00 0.00 C ATOM 330 CD2 LEU A 257 0.656 -6.354 -6.274 1.00 0.00 C ATOM 0 H LEU A 257 -0.477 -5.461 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.609 -7.448 -3.439 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.378 -5.036 -3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.359 -5.248 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 257 -1.284 -7.035 -5.736 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -1.579 -5.306 -7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.504 -4.945 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -0.988 -4.075 -6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 257 0.539 -6.604 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 257 1.265 -5.455 -6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 257 1.145 -7.180 -5.758 1.00 0.00 H new ATOM 342 N LEU A 258 1.548 -7.653 -2.649 1.00 0.00 N ATOM 343 CA LEU A 258 2.675 -8.571 -2.623 1.00 0.00 C ATOM 344 C LEU A 258 2.231 -9.899 -2.007 1.00 0.00 C ATOM 345 O LEU A 258 2.509 -10.964 -2.555 1.00 0.00 O ATOM 346 CB LEU A 258 3.869 -7.930 -1.912 1.00 0.00 C ATOM 347 CG LEU A 258 5.251 -8.426 -2.344 1.00 0.00 C ATOM 348 CD1 LEU A 258 5.741 -7.670 -3.580 1.00 0.00 C ATOM 349 CD2 LEU A 258 6.250 -8.345 -1.187 1.00 0.00 C ATOM 0 H LEU A 258 1.679 -6.800 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 258 3.015 -8.788 -3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.825 -6.852 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.762 -8.099 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 258 5.167 -9.477 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 258 6.725 -8.041 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 258 5.041 -7.824 -4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 258 5.806 -6.606 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 258 7.224 -8.703 -1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 258 6.339 -7.311 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 258 5.900 -8.963 -0.360 1.00 0.00 H new ATOM 361 N VAL A 259 1.550 -9.791 -0.875 1.00 0.00 N ATOM 362 CA VAL A 259 1.089 -10.972 -0.165 1.00 0.00 C ATOM 363 C VAL A 259 0.237 -11.828 -1.104 1.00 0.00 C ATOM 364 O VAL A 259 0.282 -13.055 -1.044 1.00 0.00 O ATOM 365 CB VAL A 259 0.347 -10.560 1.108 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.530 -11.703 1.625 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.325 -10.088 2.185 1.00 0.00 C ATOM 0 H VAL A 259 1.307 -8.905 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 259 1.935 -11.582 0.151 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.306 -9.723 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -1.046 -11.384 2.530 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.263 -11.972 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.094 -12.568 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.771 -9.801 3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.015 -10.896 2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 259 1.887 -9.230 1.816 1.00 0.00 H new ATOM 377 N ILE A 260 -0.520 -11.145 -1.950 1.00 0.00 N ATOM 378 CA ILE A 260 -1.416 -11.826 -2.870 1.00 0.00 C ATOM 379 C ILE A 260 -0.594 -12.504 -3.969 1.00 0.00 C ATOM 380 O ILE A 260 -0.879 -13.636 -4.352 1.00 0.00 O ATOM 381 CB ILE A 260 -2.475 -10.859 -3.403 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.534 -10.565 -2.338 1.00 0.00 C ATOM 383 CG2 ILE A 260 -3.095 -11.384 -4.698 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.413 -9.383 -2.750 1.00 0.00 C ATOM 0 H ILE A 260 -0.532 -10.127 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.967 -12.611 -2.352 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.986 -9.914 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.155 -11.448 -2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.048 -10.347 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.844 -10.678 -5.055 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.317 -11.500 -5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.566 -12.349 -4.511 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.157 -9.195 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.793 -8.496 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.917 -9.614 -3.689 1.00 0.00 H new ATOM 396 N VAL A 261 0.411 -11.780 -4.442 1.00 0.00 N ATOM 397 CA VAL A 261 1.240 -12.273 -5.528 1.00 0.00 C ATOM 398 C VAL A 261 2.087 -13.445 -5.028 1.00 0.00 C ATOM 399 O VAL A 261 2.593 -14.234 -5.826 1.00 0.00 O ATOM 400 CB VAL A 261 2.080 -11.132 -6.104 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.245 -11.673 -6.934 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.216 -10.176 -6.930 1.00 0.00 C ATOM 0 H VAL A 261 0.669 -10.857 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 261 0.619 -12.646 -6.343 1.00 0.00 H new ATOM 0 HB VAL A 261 2.497 -10.569 -5.268 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.826 -10.841 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.883 -12.293 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.857 -12.272 -7.758 1.00 0.00 H new ATOM 0 HG21 VAL A 261 1.838 -9.374 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.756 -10.721 -7.754 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.437 -9.751 -6.297 1.00 0.00 H new ATOM 412 N GLU A 262 2.211 -13.524 -3.713 1.00 0.00 N ATOM 413 CA GLU A 262 2.931 -14.623 -3.093 1.00 0.00 C ATOM 414 C GLU A 262 2.036 -15.860 -3.000 1.00 0.00 C ATOM 415 O GLU A 262 2.471 -16.972 -3.301 1.00 0.00 O ATOM 416 CB GLU A 262 3.462 -14.225 -1.715 1.00 0.00 C ATOM 417 CG GLU A 262 4.649 -13.268 -1.839 1.00 0.00 C ATOM 418 CD GLU A 262 5.101 -12.774 -0.463 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.570 -11.772 0.040 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.038 -13.469 0.085 1.00 0.00 O ATOM 0 H GLU A 262 1.825 -12.844 -3.058 1.00 0.00 H new ATOM 0 HA GLU A 262 3.789 -14.866 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.667 -13.751 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.765 -15.117 -1.167 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.477 -13.772 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.372 -12.417 -2.462 1.00 0.00 H new ATOM 428 N LEU A 263 0.800 -15.626 -2.582 1.00 0.00 N ATOM 429 CA LEU A 263 -0.104 -16.720 -2.271 1.00 0.00 C ATOM 430 C LEU A 263 -0.641 -17.317 -3.574 1.00 0.00 C ATOM 431 O LEU A 263 -0.898 -18.516 -3.651 1.00 0.00 O ATOM 432 CB LEU A 263 -1.199 -16.254 -1.312 1.00 0.00 C ATOM 433 CG LEU A 263 -0.770 -16.033 0.140 1.00 0.00 C ATOM 434 CD1 LEU A 263 -1.843 -15.270 0.921 1.00 0.00 C ATOM 435 CD2 LEU A 263 -0.408 -17.360 0.812 1.00 0.00 C ATOM 0 H LEU A 263 0.404 -14.695 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 263 0.427 -17.516 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -1.615 -15.321 -1.693 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.003 -16.990 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 263 0.128 -15.415 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -1.512 -15.127 1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.010 -14.299 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -2.772 -15.840 0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -0.107 -17.175 1.843 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -1.274 -18.022 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 263 0.415 -17.829 0.272 1.00 0.00 H new ATOM 447 N ILE A 264 -0.795 -16.451 -4.565 1.00 0.00 N ATOM 448 CA ILE A 264 -1.276 -16.881 -5.867 1.00 0.00 C ATOM 449 C ILE A 264 -0.502 -18.124 -6.307 1.00 0.00 C ATOM 450 O ILE A 264 -1.093 -19.171 -6.565 1.00 0.00 O ATOM 451 CB ILE A 264 -1.211 -15.728 -6.870 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.448 -14.834 -6.760 1.00 0.00 C ATOM 453 CG2 ILE A 264 -1.006 -16.251 -8.294 1.00 0.00 C ATOM 454 CD1 ILE A 264 -2.280 -13.561 -7.593 1.00 0.00 C ATOM 0 H ILE A 264 -0.595 -15.453 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.327 -17.164 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.346 -15.111 -6.626 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.328 -15.381 -7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.619 -14.570 -5.716 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -0.963 -15.411 -8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -0.072 -16.811 -8.345 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -1.836 -16.903 -8.565 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -3.173 -12.943 -7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -1.414 -13.004 -7.236 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -2.134 -13.828 -8.640 1.00 0.00 H new ATOM 466 N PRO A 265 0.848 -17.965 -6.382 1.00 0.00 N ATOM 467 CA PRO A 265 1.726 -19.105 -6.577 1.00 0.00 C ATOM 468 C PRO A 265 1.859 -19.921 -5.290 1.00 0.00 C ATOM 469 O PRO A 265 2.799 -19.728 -4.522 1.00 0.00 O ATOM 470 CB PRO A 265 3.046 -18.509 -7.042 1.00 0.00 C ATOM 471 CG PRO A 265 3.004 -17.042 -6.644 1.00 0.00 C ATOM 472 CD PRO A 265 1.568 -16.700 -6.281 1.00 0.00 C ATOM 0 HA PRO A 265 1.342 -19.812 -7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 265 3.890 -19.016 -6.575 1.00 0.00 H new ATOM 0 HB3 PRO A 265 3.166 -18.618 -8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.666 -16.856 -5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 265 3.351 -16.414 -7.464 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.502 -16.286 -5.275 1.00 0.00 H new ATOM 0 HD3 PRO A 265 1.155 -15.954 -6.960 1.00 0.00 H new ATOM 480 N SER A 266 0.903 -20.818 -5.095 1.00 0.00 N ATOM 481 CA SER A 266 0.928 -21.699 -3.939 1.00 0.00 C ATOM 482 C SER A 266 -0.030 -22.871 -4.155 1.00 0.00 C ATOM 483 O SER A 266 0.362 -24.030 -4.018 1.00 0.00 O ATOM 484 CB SER A 266 0.559 -20.940 -2.662 1.00 0.00 C ATOM 485 OG SER A 266 0.854 -21.695 -1.490 1.00 0.00 O ATOM 0 H SER A 266 0.107 -20.954 -5.718 1.00 0.00 H new ATOM 0 HA SER A 266 1.941 -22.083 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 266 1.102 -19.996 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 266 -0.503 -20.696 -2.679 1.00 0.00 H new ATOM 0 HG SER A 266 0.606 -21.177 -0.696 1.00 0.00 H new ATOM 491 N THR A 267 -1.267 -22.531 -4.486 1.00 0.00 N ATOM 492 CA THR A 267 -2.259 -23.543 -4.810 1.00 0.00 C ATOM 493 C THR A 267 -2.189 -24.698 -3.811 1.00 0.00 C ATOM 494 O THR A 267 -2.419 -25.851 -4.172 1.00 0.00 O ATOM 495 CB THR A 267 -2.037 -23.977 -6.259 1.00 0.00 C ATOM 496 OG1 THR A 267 -3.240 -23.602 -6.924 1.00 0.00 O ATOM 497 CG2 THR A 267 -1.984 -25.498 -6.413 1.00 0.00 C ATOM 0 H THR A 267 -1.605 -21.570 -4.537 1.00 0.00 H new ATOM 0 HA THR A 267 -3.271 -23.145 -4.727 1.00 0.00 H new ATOM 0 HB THR A 267 -1.108 -23.542 -6.629 1.00 0.00 H new ATOM 0 HG1 THR A 267 -3.180 -23.846 -7.871 1.00 0.00 H new ATOM 0 HG21 THR A 267 -1.825 -25.752 -7.461 1.00 0.00 H new ATOM 0 HG22 THR A 267 -1.165 -25.896 -5.814 1.00 0.00 H new ATOM 0 HG23 THR A 267 -2.925 -25.931 -6.074 1.00 0.00 H new HETATM 505 N NH2 A 268 -1.872 -24.349 -2.573 1.00 0.00 N TER 508 NH2 A 268