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= 0.153 USER MOD Single : A 239 SER OG : rot 180:sc= 0 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 88:sc= 1.03 USER MOD Single : A 246 SER OG : rot 67:sc= 0.929 USER MOD Single : A 248 SER OG : rot 180:sc= 0 USER MOD Single : A 252 SER OG : rot 110:sc= 1.04 USER MOD Single : A 254 THR OG1 : rot 79:sc= 1.05 USER MOD Single : A 266 SER OG : rot -44:sc= 0.0942 USER MOD Single : A 267 THR OG1 : rot -108:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 7.152 14.837 10.138 1.00 0.00 N ATOM 2 CA PRO A 236 6.102 14.541 11.097 1.00 0.00 C ATOM 3 C PRO A 236 4.730 14.541 10.421 1.00 0.00 C ATOM 4 O PRO A 236 4.583 15.035 9.305 1.00 0.00 O ATOM 5 CB PRO A 236 6.235 15.607 12.171 1.00 0.00 C ATOM 6 CG PRO A 236 7.047 16.730 11.547 1.00 0.00 C ATOM 7 CD PRO A 236 7.678 16.195 10.271 1.00 0.00 C ATOM 0 HA PRO A 236 6.197 13.546 11.531 1.00 0.00 H new ATOM 0 HB2 PRO A 236 5.256 15.964 12.490 1.00 0.00 H new ATOM 0 HB3 PRO A 236 6.733 15.210 13.055 1.00 0.00 H new ATOM 0 HG2 PRO A 236 6.409 17.586 11.328 1.00 0.00 H new ATOM 0 HG3 PRO A 236 7.816 17.075 12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 236 7.412 16.809 9.410 1.00 0.00 H new ATOM 0 HD3 PRO A 236 8.766 16.194 10.338 1.00 0.00 H new ATOM 16 N THR A 237 3.758 13.980 11.127 1.00 0.00 N ATOM 17 CA THR A 237 2.387 13.980 10.646 1.00 0.00 C ATOM 18 C THR A 237 1.767 15.369 10.800 1.00 0.00 C ATOM 19 O THR A 237 1.199 15.687 11.844 1.00 0.00 O ATOM 20 CB THR A 237 1.623 12.886 11.396 1.00 0.00 C ATOM 21 OG1 THR A 237 2.261 12.827 12.668 1.00 0.00 O ATOM 22 CG2 THR A 237 1.853 11.496 10.799 1.00 0.00 C ATOM 0 H THR A 237 3.893 13.522 12.028 1.00 0.00 H new ATOM 0 HA THR A 237 2.342 13.756 9.580 1.00 0.00 H new ATOM 0 HB THR A 237 0.557 13.114 11.383 1.00 0.00 H new ATOM 0 HG1 THR A 237 1.827 12.144 13.220 1.00 0.00 H new ATOM 0 HG21 THR A 237 1.288 10.758 11.368 1.00 0.00 H new ATOM 0 HG22 THR A 237 1.520 11.486 9.761 1.00 0.00 H new ATOM 0 HG23 THR A 237 2.915 11.253 10.842 1.00 0.00 H new ATOM 30 N ASP A 238 1.895 16.160 9.746 1.00 0.00 N ATOM 31 CA ASP A 238 1.451 17.544 9.788 1.00 0.00 C ATOM 32 C ASP A 238 1.924 18.264 8.524 1.00 0.00 C ATOM 33 O ASP A 238 1.149 18.972 7.883 1.00 0.00 O ATOM 34 CB ASP A 238 2.040 18.273 10.998 1.00 0.00 C ATOM 35 CG ASP A 238 1.059 18.514 12.147 1.00 0.00 C ATOM 36 OD1 ASP A 238 -0.023 19.136 11.820 1.00 0.00 O ATOM 37 OD2 ASP A 238 1.314 18.125 13.296 1.00 0.00 O ATOM 0 H ASP A 238 2.300 15.869 8.856 1.00 0.00 H new ATOM 0 HA ASP A 238 0.363 17.549 9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 238 2.884 17.696 11.376 1.00 0.00 H new ATOM 0 HB3 ASP A 238 2.433 19.235 10.668 1.00 0.00 H new ATOM 42 N SER A 239 3.194 18.061 8.205 1.00 0.00 N ATOM 43 CA SER A 239 3.808 18.765 7.093 1.00 0.00 C ATOM 44 C SER A 239 3.328 18.170 5.767 1.00 0.00 C ATOM 45 O SER A 239 3.200 18.881 4.772 1.00 0.00 O ATOM 46 CB SER A 239 5.334 18.708 7.179 1.00 0.00 C ATOM 47 OG SER A 239 5.955 19.437 6.124 1.00 0.00 O ATOM 0 H SER A 239 3.814 17.419 8.698 1.00 0.00 H new ATOM 0 HA SER A 239 3.508 19.812 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 239 5.658 19.111 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 239 5.661 17.669 7.143 1.00 0.00 H new ATOM 0 HG SER A 239 6.929 19.378 6.215 1.00 0.00 H new ATOM 53 N GLY A 240 3.074 16.870 5.796 1.00 0.00 N ATOM 54 CA GLY A 240 2.688 16.154 4.593 1.00 0.00 C ATOM 55 C GLY A 240 1.650 15.075 4.904 1.00 0.00 C ATOM 56 O GLY A 240 1.916 13.886 4.734 1.00 0.00 O ATOM 0 H GLY A 240 3.128 16.293 6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 240 2.281 16.855 3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 240 3.568 15.697 4.140 1.00 0.00 H new ATOM 60 N GLU A 241 0.491 15.527 5.356 1.00 0.00 N ATOM 61 CA GLU A 241 -0.560 14.613 5.771 1.00 0.00 C ATOM 62 C GLU A 241 -1.052 13.792 4.576 1.00 0.00 C ATOM 63 O GLU A 241 -0.996 12.564 4.597 1.00 0.00 O ATOM 64 CB GLU A 241 -1.716 15.368 6.430 1.00 0.00 C ATOM 65 CG GLU A 241 -1.305 15.911 7.799 1.00 0.00 C ATOM 66 CD GLU A 241 -2.462 16.664 8.460 1.00 0.00 C ATOM 67 OE1 GLU A 241 -3.250 15.933 9.175 1.00 0.00 O ATOM 68 OE2 GLU A 241 -2.586 17.886 8.288 1.00 0.00 O ATOM 0 H GLU A 241 0.255 16.515 5.444 1.00 0.00 H new ATOM 0 HA GLU A 241 -0.147 13.929 6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 241 -2.031 16.191 5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -2.573 14.704 6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -0.988 15.089 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 241 -0.449 16.577 7.688 1.00 0.00 H new ATOM 76 N LYS A 242 -1.522 14.506 3.563 1.00 0.00 N ATOM 77 CA LYS A 242 -2.070 13.858 2.383 1.00 0.00 C ATOM 78 C LYS A 242 -1.011 12.938 1.773 1.00 0.00 C ATOM 79 O LYS A 242 -1.318 11.822 1.358 1.00 0.00 O ATOM 80 CB LYS A 242 -2.616 14.899 1.406 1.00 0.00 C ATOM 81 CG LYS A 242 -3.239 14.228 0.180 1.00 0.00 C ATOM 82 CD LYS A 242 -3.926 15.256 -0.720 1.00 0.00 C ATOM 83 CE LYS A 242 -5.330 15.583 -0.207 1.00 0.00 C ATOM 84 NZ LYS A 242 -6.001 16.544 -1.111 1.00 0.00 N ATOM 0 H LYS A 242 -1.535 15.526 3.535 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.920 13.231 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -3.363 15.516 1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -1.812 15.564 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -2.467 13.705 -0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -3.963 13.479 0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -3.328 16.167 -0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -3.987 14.870 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -5.920 14.669 -0.136 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -5.268 16.002 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -6.953 16.755 -0.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -5.446 17.422 -1.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -6.077 16.131 -2.062 1.00 0.00 H new ATOM 98 N MET A 243 0.215 13.440 1.740 1.00 0.00 N ATOM 99 CA MET A 243 1.314 12.693 1.154 1.00 0.00 C ATOM 100 C MET A 243 1.566 11.394 1.923 1.00 0.00 C ATOM 101 O MET A 243 1.638 10.319 1.329 1.00 0.00 O ATOM 102 CB MET A 243 2.582 13.551 1.171 1.00 0.00 C ATOM 103 CG MET A 243 3.752 12.811 0.520 1.00 0.00 C ATOM 104 SD MET A 243 3.409 12.525 -1.208 1.00 0.00 S ATOM 105 CE MET A 243 4.834 11.542 -1.648 1.00 0.00 C ATOM 0 H MET A 243 0.471 14.355 2.110 1.00 0.00 H new ATOM 0 HA MET A 243 1.050 12.440 0.127 1.00 0.00 H new ATOM 0 HB2 MET A 243 2.400 14.487 0.643 1.00 0.00 H new ATOM 0 HB3 MET A 243 2.837 13.810 2.199 1.00 0.00 H new ATOM 0 HG2 MET A 243 4.666 13.395 0.626 1.00 0.00 H new ATOM 0 HG3 MET A 243 3.920 11.861 1.028 1.00 0.00 H new ATOM 0 HE1 MET A 243 4.779 11.274 -2.703 1.00 0.00 H new ATOM 0 HE2 MET A 243 5.742 12.116 -1.466 1.00 0.00 H new ATOM 0 HE3 MET A 243 4.851 10.635 -1.044 1.00 0.00 H new ATOM 115 N THR A 244 1.693 11.535 3.235 1.00 0.00 N ATOM 116 CA THR A 244 2.003 10.397 4.083 1.00 0.00 C ATOM 117 C THR A 244 0.843 9.402 4.086 1.00 0.00 C ATOM 118 O THR A 244 1.050 8.203 4.270 1.00 0.00 O ATOM 119 CB THR A 244 2.351 10.928 5.476 1.00 0.00 C ATOM 120 OG1 THR A 244 3.511 11.728 5.263 1.00 0.00 O ATOM 121 CG2 THR A 244 2.827 9.824 6.422 1.00 0.00 C ATOM 0 H THR A 244 1.587 12.420 3.731 1.00 0.00 H new ATOM 0 HA THR A 244 2.863 9.844 3.704 1.00 0.00 H new ATOM 0 HB THR A 244 1.478 11.421 5.905 1.00 0.00 H new ATOM 0 HG1 THR A 244 3.241 12.642 5.033 1.00 0.00 H new ATOM 0 HG21 THR A 244 3.061 10.255 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 244 2.041 9.077 6.535 1.00 0.00 H new ATOM 0 HG23 THR A 244 3.719 9.352 6.011 1.00 0.00 H new ATOM 129 N LEU A 245 -0.353 9.932 3.879 1.00 0.00 N ATOM 130 CA LEU A 245 -1.536 9.096 3.772 1.00 0.00 C ATOM 131 C LEU A 245 -1.443 8.248 2.502 1.00 0.00 C ATOM 132 O LEU A 245 -1.735 7.055 2.525 1.00 0.00 O ATOM 133 CB LEU A 245 -2.804 9.948 3.851 1.00 0.00 C ATOM 134 CG LEU A 245 -3.350 10.210 5.257 1.00 0.00 C ATOM 135 CD1 LEU A 245 -4.233 11.460 5.278 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.084 8.980 5.797 1.00 0.00 C ATOM 0 H LEU A 245 -0.528 10.932 3.782 1.00 0.00 H new ATOM 0 HA LEU A 245 -1.591 8.406 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.603 10.908 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.583 9.460 3.265 1.00 0.00 H new ATOM 0 HG LEU A 245 -2.507 10.400 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -4.608 11.624 6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -3.648 12.324 4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -5.073 11.324 4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -4.462 9.192 6.797 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.917 8.735 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -3.396 8.136 5.841 1.00 0.00 H new ATOM 148 N SER A 246 -1.033 8.900 1.423 1.00 0.00 N ATOM 149 CA SER A 246 -0.879 8.217 0.149 1.00 0.00 C ATOM 150 C SER A 246 0.089 7.042 0.301 1.00 0.00 C ATOM 151 O SER A 246 -0.114 5.984 -0.291 1.00 0.00 O ATOM 152 CB SER A 246 -0.384 9.176 -0.933 1.00 0.00 C ATOM 153 OG SER A 246 -1.209 10.335 -1.038 1.00 0.00 O ATOM 0 H SER A 246 -0.803 9.894 1.405 1.00 0.00 H new ATOM 0 HA SER A 246 -1.854 7.839 -0.158 1.00 0.00 H new ATOM 0 HB2 SER A 246 0.639 9.478 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.361 8.659 -1.892 1.00 0.00 H new ATOM 0 HG SER A 246 -1.126 10.871 -0.222 1.00 0.00 H new ATOM 159 N ILE A 247 1.124 7.268 1.098 1.00 0.00 N ATOM 160 CA ILE A 247 2.113 6.234 1.353 1.00 0.00 C ATOM 161 C ILE A 247 1.500 5.161 2.255 1.00 0.00 C ATOM 162 O ILE A 247 1.627 3.968 1.982 1.00 0.00 O ATOM 163 CB ILE A 247 3.397 6.848 1.913 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.974 7.886 0.949 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.417 5.761 2.261 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.375 8.321 1.385 1.00 0.00 C ATOM 0 H ILE A 247 1.299 8.152 1.576 1.00 0.00 H new ATOM 0 HA ILE A 247 2.401 5.744 0.423 1.00 0.00 H new ATOM 0 HB ILE A 247 3.151 7.369 2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 247 4.016 7.469 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.316 8.754 0.908 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.321 6.224 2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.994 5.091 3.010 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.663 5.193 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.762 9.059 0.682 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.326 8.759 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 247 6.036 7.455 1.402 1.00 0.00 H new ATOM 178 N SER A 248 0.848 5.623 3.312 1.00 0.00 N ATOM 179 CA SER A 248 0.294 4.718 4.305 1.00 0.00 C ATOM 180 C SER A 248 -0.691 3.752 3.641 1.00 0.00 C ATOM 181 O SER A 248 -0.882 2.634 4.115 1.00 0.00 O ATOM 182 CB SER A 248 -0.397 5.490 5.430 1.00 0.00 C ATOM 183 OG SER A 248 -0.855 4.627 6.467 1.00 0.00 O ATOM 0 H SER A 248 0.691 6.613 3.502 1.00 0.00 H new ATOM 0 HA SER A 248 1.113 4.148 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 248 0.296 6.221 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 248 -1.241 6.047 5.022 1.00 0.00 H new ATOM 0 HG SER A 248 -1.289 5.158 7.167 1.00 0.00 H new ATOM 189 N VAL A 249 -1.288 4.220 2.556 1.00 0.00 N ATOM 190 CA VAL A 249 -2.305 3.443 1.867 1.00 0.00 C ATOM 191 C VAL A 249 -1.644 2.607 0.769 1.00 0.00 C ATOM 192 O VAL A 249 -1.771 1.383 0.756 1.00 0.00 O ATOM 193 CB VAL A 249 -3.400 4.369 1.334 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.316 3.629 0.356 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.206 4.984 2.481 1.00 0.00 C ATOM 0 H VAL A 249 -1.087 5.128 2.136 1.00 0.00 H new ATOM 0 HA VAL A 249 -2.789 2.752 2.557 1.00 0.00 H new ATOM 0 HB VAL A 249 -2.916 5.181 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.085 4.310 -0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.729 3.262 -0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.787 2.788 0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -4.977 5.638 2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.673 4.190 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.542 5.563 3.123 1.00 0.00 H new ATOM 205 N LEU A 250 -0.953 3.298 -0.124 1.00 0.00 N ATOM 206 CA LEU A 250 -0.435 2.664 -1.324 1.00 0.00 C ATOM 207 C LEU A 250 0.624 1.631 -0.935 1.00 0.00 C ATOM 208 O LEU A 250 0.656 0.532 -1.484 1.00 0.00 O ATOM 209 CB LEU A 250 0.070 3.719 -2.312 1.00 0.00 C ATOM 210 CG LEU A 250 -0.992 4.649 -2.901 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.345 5.846 -3.602 1.00 0.00 C ATOM 212 CD2 LEU A 250 -1.936 3.884 -3.831 1.00 0.00 C ATOM 0 H LEU A 250 -0.739 4.292 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.229 2.127 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.820 4.329 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.573 3.208 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.594 5.041 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.122 6.491 -4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 250 0.253 6.408 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 250 0.296 5.492 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -2.681 4.568 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.364 3.445 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.436 3.093 -3.272 1.00 0.00 H new ATOM 224 N LEU A 251 1.464 2.020 0.013 1.00 0.00 N ATOM 225 CA LEU A 251 2.553 1.161 0.446 1.00 0.00 C ATOM 226 C LEU A 251 1.978 -0.118 1.057 1.00 0.00 C ATOM 227 O LEU A 251 2.419 -1.218 0.731 1.00 0.00 O ATOM 228 CB LEU A 251 3.495 1.922 1.382 1.00 0.00 C ATOM 229 CG LEU A 251 4.948 1.442 1.406 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.023 -0.065 1.656 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.680 1.848 0.127 1.00 0.00 C ATOM 0 H LEU A 251 1.412 2.918 0.493 1.00 0.00 H new ATOM 0 HA LEU A 251 3.162 0.860 -0.406 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.485 2.974 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 251 3.096 1.861 2.395 1.00 0.00 H new ATOM 0 HG LEU A 251 5.456 1.932 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.066 -0.380 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.562 -0.298 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 251 4.494 -0.592 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.710 1.495 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.180 1.405 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 251 5.672 2.934 0.032 1.00 0.00 H new ATOM 243 N SER A 252 1.002 0.072 1.933 1.00 0.00 N ATOM 244 CA SER A 252 0.333 -1.055 2.562 1.00 0.00 C ATOM 245 C SER A 252 -0.417 -1.873 1.510 1.00 0.00 C ATOM 246 O SER A 252 -0.519 -3.094 1.624 1.00 0.00 O ATOM 247 CB SER A 252 -0.629 -0.584 3.653 1.00 0.00 C ATOM 248 OG SER A 252 0.049 0.087 4.712 1.00 0.00 O ATOM 0 H SER A 252 0.659 0.988 2.222 1.00 0.00 H new ATOM 0 HA SER A 252 1.090 -1.685 3.029 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.371 0.085 3.217 1.00 0.00 H new ATOM 0 HB3 SER A 252 -1.169 -1.441 4.055 1.00 0.00 H new ATOM 0 HG SER A 252 -0.168 1.042 4.686 1.00 0.00 H new ATOM 254 N LEU A 253 -0.923 -1.168 0.508 1.00 0.00 N ATOM 255 CA LEU A 253 -1.678 -1.811 -0.553 1.00 0.00 C ATOM 256 C LEU A 253 -0.725 -2.632 -1.424 1.00 0.00 C ATOM 257 O LEU A 253 -1.099 -3.685 -1.938 1.00 0.00 O ATOM 258 CB LEU A 253 -2.490 -0.777 -1.336 1.00 0.00 C ATOM 259 CG LEU A 253 -3.577 -1.335 -2.256 1.00 0.00 C ATOM 260 CD1 LEU A 253 -4.822 -1.729 -1.458 1.00 0.00 C ATOM 261 CD2 LEU A 253 -3.904 -0.349 -3.379 1.00 0.00 C ATOM 0 H LEU A 253 -0.824 -0.158 0.409 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.408 -2.505 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.958 -0.097 -0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.802 -0.184 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 253 -3.195 -2.242 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.579 -2.123 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -4.558 -2.492 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -5.216 -0.853 -0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.680 -0.770 -4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.258 0.588 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -3.008 -0.161 -3.971 1.00 0.00 H new ATOM 273 N THR A 254 0.488 -2.118 -1.564 1.00 0.00 N ATOM 274 CA THR A 254 1.500 -2.794 -2.359 1.00 0.00 C ATOM 275 C THR A 254 2.027 -4.025 -1.617 1.00 0.00 C ATOM 276 O THR A 254 2.312 -5.051 -2.233 1.00 0.00 O ATOM 277 CB THR A 254 2.591 -1.776 -2.700 1.00 0.00 C ATOM 278 OG1 THR A 254 1.931 -0.827 -3.533 1.00 0.00 O ATOM 279 CG2 THR A 254 3.681 -2.365 -3.598 1.00 0.00 C ATOM 0 H THR A 254 0.793 -1.242 -1.141 1.00 0.00 H new ATOM 0 HA THR A 254 1.083 -3.171 -3.293 1.00 0.00 H new ATOM 0 HB THR A 254 3.041 -1.404 -1.780 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.409 -0.211 -2.977 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.430 -1.602 -3.810 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.154 -3.207 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.237 -2.707 -4.533 1.00 0.00 H new ATOM 287 N VAL A 255 2.139 -3.880 -0.305 1.00 0.00 N ATOM 288 CA VAL A 255 2.557 -4.990 0.536 1.00 0.00 C ATOM 289 C VAL A 255 1.484 -6.081 0.504 1.00 0.00 C ATOM 290 O VAL A 255 1.802 -7.265 0.410 1.00 0.00 O ATOM 291 CB VAL A 255 2.858 -4.490 1.951 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.882 -5.649 2.949 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.172 -3.706 1.986 1.00 0.00 C ATOM 0 H VAL A 255 1.948 -3.012 0.196 1.00 0.00 H new ATOM 0 HA VAL A 255 3.480 -5.430 0.157 1.00 0.00 H new ATOM 0 HB VAL A 255 2.056 -3.813 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.098 -5.266 3.946 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.912 -6.146 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.653 -6.363 2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.363 -3.362 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.989 -4.350 1.661 1.00 0.00 H new ATOM 0 HG23 VAL A 255 4.101 -2.847 1.319 1.00 0.00 H new ATOM 303 N PHE A 256 0.237 -5.642 0.583 1.00 0.00 N ATOM 304 CA PHE A 256 -0.886 -6.561 0.507 1.00 0.00 C ATOM 305 C PHE A 256 -0.964 -7.218 -0.873 1.00 0.00 C ATOM 306 O PHE A 256 -1.307 -8.393 -0.986 1.00 0.00 O ATOM 307 CB PHE A 256 -2.155 -5.737 0.738 1.00 0.00 C ATOM 308 CG PHE A 256 -3.449 -6.547 0.639 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.603 -7.675 1.386 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.445 -6.141 -0.194 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.805 -8.427 1.294 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.645 -6.893 -0.285 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.800 -8.021 0.462 1.00 0.00 C ATOM 0 H PHE A 256 -0.021 -4.662 0.699 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.772 -7.350 1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.102 -5.275 1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.188 -4.928 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.813 -7.998 2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.322 -5.246 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.928 -9.322 1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.435 -6.571 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.714 -8.593 0.393 1.00 0.00 H new ATOM 323 N LEU A 257 -0.638 -6.431 -1.888 1.00 0.00 N ATOM 324 CA LEU A 257 -0.584 -6.944 -3.246 1.00 0.00 C ATOM 325 C LEU A 257 0.544 -7.971 -3.355 1.00 0.00 C ATOM 326 O LEU A 257 0.413 -8.972 -4.056 1.00 0.00 O ATOM 327 CB LEU A 257 -0.468 -5.794 -4.249 1.00 0.00 C ATOM 328 CG LEU A 257 -0.485 -6.190 -5.727 1.00 0.00 C ATOM 329 CD1 LEU A 257 -1.853 -6.740 -6.132 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.052 -5.019 -6.612 1.00 0.00 C ATOM 0 H LEU A 257 -0.409 -5.441 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.511 -7.461 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.288 -5.098 -4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.458 -5.255 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 257 0.239 -6.991 -5.875 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -1.837 -7.014 -7.187 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.083 -7.620 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.615 -5.978 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.073 -5.326 -7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -0.734 -4.181 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.959 -4.714 -6.343 1.00 0.00 H new ATOM 342 N LEU A 258 1.629 -7.687 -2.648 1.00 0.00 N ATOM 343 CA LEU A 258 2.742 -8.620 -2.578 1.00 0.00 C ATOM 344 C LEU A 258 2.263 -9.932 -1.955 1.00 0.00 C ATOM 345 O LEU A 258 2.481 -11.005 -2.515 1.00 0.00 O ATOM 346 CB LEU A 258 3.926 -7.986 -1.844 1.00 0.00 C ATOM 347 CG LEU A 258 5.316 -8.388 -2.343 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.409 -7.645 -1.575 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.502 -9.904 -2.285 1.00 0.00 C ATOM 0 H LEU A 258 1.761 -6.825 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 258 3.106 -8.856 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.835 -6.902 -1.916 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.853 -8.242 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 258 5.402 -8.094 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.387 -7.949 -1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.285 -6.571 -1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.336 -7.885 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.498 -10.162 -2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.388 -10.245 -1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.753 -10.387 -2.912 1.00 0.00 H new ATOM 361 N VAL A 259 1.620 -9.804 -0.804 1.00 0.00 N ATOM 362 CA VAL A 259 1.099 -10.966 -0.102 1.00 0.00 C ATOM 363 C VAL A 259 0.230 -11.785 -1.060 1.00 0.00 C ATOM 364 O VAL A 259 0.284 -13.014 -1.054 1.00 0.00 O ATOM 365 CB VAL A 259 0.351 -10.525 1.156 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.548 -11.648 1.681 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.325 -10.051 2.236 1.00 0.00 C ATOM 0 H VAL A 259 1.447 -8.913 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 259 1.913 -11.610 0.231 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.287 -9.683 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -1.069 -11.309 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.277 -11.917 0.917 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.061 -12.518 1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.766 -9.743 3.120 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.001 -10.865 2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 259 1.903 -9.207 1.860 1.00 0.00 H new ATOM 377 N ILE A 260 -0.548 -11.072 -1.860 1.00 0.00 N ATOM 378 CA ILE A 260 -1.458 -11.719 -2.790 1.00 0.00 C ATOM 379 C ILE A 260 -0.649 -12.458 -3.857 1.00 0.00 C ATOM 380 O ILE A 260 -0.988 -13.578 -4.234 1.00 0.00 O ATOM 381 CB ILE A 260 -2.449 -10.704 -3.364 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.542 -10.370 -2.347 1.00 0.00 C ATOM 383 CG2 ILE A 260 -3.032 -11.196 -4.690 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.407 -9.205 -2.833 1.00 0.00 C ATOM 0 H ILE A 260 -0.567 -10.052 -1.884 1.00 0.00 H new ATOM 0 HA ILE A 260 -2.063 -12.464 -2.274 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.909 -9.780 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.168 -11.247 -2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.087 -10.115 -1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.733 -10.456 -5.076 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.226 -11.343 -5.409 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.553 -12.140 -4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.176 -8.989 -2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.783 -8.323 -2.976 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.880 -9.472 -3.778 1.00 0.00 H new ATOM 396 N VAL A 261 0.408 -11.801 -4.313 1.00 0.00 N ATOM 397 CA VAL A 261 1.221 -12.346 -5.388 1.00 0.00 C ATOM 398 C VAL A 261 1.981 -13.571 -4.876 1.00 0.00 C ATOM 399 O VAL A 261 2.413 -14.411 -5.662 1.00 0.00 O ATOM 400 CB VAL A 261 2.143 -11.262 -5.948 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.296 -11.878 -6.742 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.361 -10.264 -6.803 1.00 0.00 C ATOM 0 H VAL A 261 0.720 -10.897 -3.958 1.00 0.00 H new ATOM 0 HA VAL A 261 0.591 -12.676 -6.214 1.00 0.00 H new ATOM 0 HB VAL A 261 2.570 -10.719 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.936 -11.085 -7.129 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.879 -12.530 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.896 -12.459 -7.573 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.041 -9.504 -7.189 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.892 -10.788 -7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.592 -9.788 -6.195 1.00 0.00 H new ATOM 412 N GLU A 262 2.119 -13.634 -3.560 1.00 0.00 N ATOM 413 CA GLU A 262 2.765 -14.772 -2.929 1.00 0.00 C ATOM 414 C GLU A 262 1.789 -15.946 -2.824 1.00 0.00 C ATOM 415 O GLU A 262 2.173 -17.097 -3.024 1.00 0.00 O ATOM 416 CB GLU A 262 3.319 -14.395 -1.553 1.00 0.00 C ATOM 417 CG GLU A 262 4.579 -13.537 -1.685 1.00 0.00 C ATOM 418 CD GLU A 262 5.112 -13.130 -0.310 1.00 0.00 C ATOM 419 OE1 GLU A 262 4.464 -12.346 0.399 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.243 -13.659 0.016 1.00 0.00 O ATOM 0 H GLU A 262 1.794 -12.915 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 262 3.606 -15.078 -3.551 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.562 -13.851 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.548 -15.299 -0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.346 -14.091 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.356 -12.645 -2.271 1.00 0.00 H new ATOM 428 N LEU A 263 0.545 -15.613 -2.510 1.00 0.00 N ATOM 429 CA LEU A 263 -0.445 -16.630 -2.200 1.00 0.00 C ATOM 430 C LEU A 263 -1.087 -17.123 -3.498 1.00 0.00 C ATOM 431 O LEU A 263 -1.551 -18.259 -3.573 1.00 0.00 O ATOM 432 CB LEU A 263 -1.453 -16.101 -1.177 1.00 0.00 C ATOM 433 CG LEU A 263 -2.028 -17.133 -0.205 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.615 -16.453 1.033 1.00 0.00 C ATOM 435 CD2 LEU A 263 -3.047 -18.036 -0.903 1.00 0.00 C ATOM 0 H LEU A 263 0.201 -14.654 -2.464 1.00 0.00 H new ATOM 0 HA LEU A 263 0.028 -17.493 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -0.972 -15.313 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.280 -15.640 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 263 -1.214 -17.772 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -3.017 -17.209 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -1.834 -15.890 1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.413 -15.775 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -3.440 -18.760 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -3.865 -17.429 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -2.563 -18.563 -1.725 1.00 0.00 H new ATOM 447 N ILE A 264 -1.095 -16.242 -4.489 1.00 0.00 N ATOM 448 CA ILE A 264 -1.737 -16.547 -5.756 1.00 0.00 C ATOM 449 C ILE A 264 -1.141 -17.835 -6.328 1.00 0.00 C ATOM 450 O ILE A 264 -1.872 -18.761 -6.674 1.00 0.00 O ATOM 451 CB ILE A 264 -1.643 -15.351 -6.705 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.779 -14.358 -6.449 1.00 0.00 C ATOM 453 CG2 ILE A 264 -1.602 -15.811 -8.164 1.00 0.00 C ATOM 454 CD1 ILE A 264 -4.065 -14.802 -7.149 1.00 0.00 C ATOM 0 H ILE A 264 -0.667 -15.317 -4.439 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.802 -16.726 -5.610 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.707 -14.829 -6.505 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -2.956 -14.271 -5.377 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.490 -13.369 -6.805 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -1.535 -14.941 -8.818 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -0.733 -16.450 -8.320 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -2.509 -16.370 -8.395 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.856 -14.079 -6.950 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -3.892 -14.864 -8.223 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -4.365 -15.780 -6.773 1.00 0.00 H new ATOM 466 N PRO A 265 0.217 -17.852 -6.414 1.00 0.00 N ATOM 467 CA PRO A 265 0.919 -19.006 -6.947 1.00 0.00 C ATOM 468 C PRO A 265 0.933 -20.155 -5.935 1.00 0.00 C ATOM 469 O PRO A 265 1.608 -21.162 -6.145 1.00 0.00 O ATOM 470 CB PRO A 265 2.310 -18.498 -7.287 1.00 0.00 C ATOM 471 CG PRO A 265 2.484 -17.205 -6.507 1.00 0.00 C ATOM 472 CD PRO A 265 1.115 -16.776 -6.005 1.00 0.00 C ATOM 0 HA PRO A 265 0.434 -19.422 -7.830 1.00 0.00 H new ATOM 0 HB2 PRO A 265 3.071 -19.227 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 265 2.411 -18.324 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.168 -17.352 -5.671 1.00 0.00 H new ATOM 0 HG3 PRO A 265 2.918 -16.432 -7.141 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.112 -16.648 -4.923 1.00 0.00 H new ATOM 0 HD3 PRO A 265 0.815 -15.823 -6.440 1.00 0.00 H new ATOM 480 N SER A 266 0.180 -19.965 -4.862 1.00 0.00 N ATOM 481 CA SER A 266 0.119 -20.960 -3.805 1.00 0.00 C ATOM 482 C SER A 266 -1.260 -21.622 -3.788 1.00 0.00 C ATOM 483 O SER A 266 -1.551 -22.437 -2.915 1.00 0.00 O ATOM 484 CB SER A 266 0.425 -20.336 -2.443 1.00 0.00 C ATOM 485 OG SER A 266 0.780 -21.318 -1.473 1.00 0.00 O ATOM 0 H SER A 266 -0.393 -19.137 -4.702 1.00 0.00 H new ATOM 0 HA SER A 266 0.876 -21.718 -4.005 1.00 0.00 H new ATOM 0 HB2 SER A 266 1.239 -19.619 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 266 -0.446 -19.781 -2.095 1.00 0.00 H new ATOM 0 HG SER A 266 0.170 -22.082 -1.542 1.00 0.00 H new ATOM 491 N THR A 267 -2.074 -21.245 -4.765 1.00 0.00 N ATOM 492 CA THR A 267 -3.382 -21.856 -4.926 1.00 0.00 C ATOM 493 C THR A 267 -3.238 -23.337 -5.285 1.00 0.00 C ATOM 494 O THR A 267 -2.199 -23.759 -5.792 1.00 0.00 O ATOM 495 CB THR A 267 -4.155 -21.050 -5.971 1.00 0.00 C ATOM 496 OG1 THR A 267 -3.194 -20.790 -6.989 1.00 0.00 O ATOM 497 CG2 THR A 267 -4.547 -19.659 -5.464 1.00 0.00 C ATOM 0 H THR A 267 -1.852 -20.524 -5.452 1.00 0.00 H new ATOM 0 HA THR A 267 -3.947 -21.833 -3.994 1.00 0.00 H new ATOM 0 HB THR A 267 -5.052 -21.597 -6.261 1.00 0.00 H new ATOM 0 HG1 THR A 267 -2.945 -19.842 -6.970 1.00 0.00 H new ATOM 0 HG21 THR A 267 -5.093 -19.128 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 267 -5.179 -19.758 -4.581 1.00 0.00 H new ATOM 0 HG23 THR A 267 -3.648 -19.099 -5.206 1.00 0.00 H new HETATM 505 N NH2 A 268 -4.295 -24.086 -5.010 1.00 0.00 N TER 508 NH2 A 268