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 Set 1.1: A 266 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 267 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 237 THR OG1 : rot 180:sc= -0.0726 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 -118:sc= 0 (180deg=-0.0987) USER MOD Single : A 244 THR OG1 : rot 157:sc= 0.926 USER MOD Single : A 246 SER OG : rot 69:sc= 0.847 USER MOD Single : A 248 SER OG : rot 85:sc= 1.23 USER MOD Single : A 252 SER OG : rot -39:sc= 1.23 USER MOD Single : A 254 THR OG1 : rot 87:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 3.723 24.808 5.476 1.00 0.00 N ATOM 2 CA PRO A 236 2.619 23.875 5.614 1.00 0.00 C ATOM 3 C PRO A 236 3.097 22.433 5.436 1.00 0.00 C ATOM 4 O PRO A 236 4.238 22.198 5.043 1.00 0.00 O ATOM 5 CB PRO A 236 1.607 24.300 4.563 1.00 0.00 C ATOM 6 CG PRO A 236 2.374 25.158 3.569 1.00 0.00 C ATOM 7 CD PRO A 236 3.708 25.524 4.201 1.00 0.00 C ATOM 0 HA PRO A 236 2.171 23.898 6.608 1.00 0.00 H new ATOM 0 HB2 PRO A 236 1.166 23.432 4.072 1.00 0.00 H new ATOM 0 HB3 PRO A 236 0.788 24.861 5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 236 2.529 24.615 2.637 1.00 0.00 H new ATOM 0 HG3 PRO A 236 1.808 26.057 3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 236 4.542 25.223 3.568 1.00 0.00 H new ATOM 0 HD3 PRO A 236 3.794 26.600 4.350 1.00 0.00 H new ATOM 16 N THR A 237 2.199 21.504 5.734 1.00 0.00 N ATOM 17 CA THR A 237 2.522 20.091 5.636 1.00 0.00 C ATOM 18 C THR A 237 3.644 19.733 6.613 1.00 0.00 C ATOM 19 O THR A 237 4.814 20.010 6.350 1.00 0.00 O ATOM 20 CB THR A 237 2.865 19.785 4.177 1.00 0.00 C ATOM 21 OG1 THR A 237 1.999 20.633 3.430 1.00 0.00 O ATOM 22 CG2 THR A 237 2.453 18.370 3.762 1.00 0.00 C ATOM 0 H THR A 237 1.248 21.703 6.043 1.00 0.00 H new ATOM 0 HA THR A 237 1.674 19.469 5.922 1.00 0.00 H new ATOM 0 HB THR A 237 3.937 19.910 4.023 1.00 0.00 H new ATOM 0 HG1 THR A 237 2.157 20.500 2.472 1.00 0.00 H new ATOM 0 HG21 THR A 237 2.719 18.205 2.718 1.00 0.00 H new ATOM 0 HG22 THR A 237 2.970 17.642 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 237 1.376 18.254 3.885 1.00 0.00 H new ATOM 30 N ASP A 238 3.249 19.122 7.720 1.00 0.00 N ATOM 31 CA ASP A 238 4.189 18.824 8.788 1.00 0.00 C ATOM 32 C ASP A 238 5.229 17.823 8.280 1.00 0.00 C ATOM 33 O ASP A 238 6.423 18.120 8.263 1.00 0.00 O ATOM 34 CB ASP A 238 3.478 18.199 9.988 1.00 0.00 C ATOM 35 CG ASP A 238 3.255 19.142 11.172 1.00 0.00 C ATOM 36 OD1 ASP A 238 2.207 19.889 11.085 1.00 0.00 O ATOM 37 OD2 ASP A 238 4.044 19.163 12.130 1.00 0.00 O ATOM 0 H ASP A 238 2.290 18.825 7.901 1.00 0.00 H new ATOM 0 HA ASP A 238 4.660 19.758 9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 238 2.511 17.818 9.660 1.00 0.00 H new ATOM 0 HB3 ASP A 238 4.059 17.343 10.330 1.00 0.00 H new ATOM 42 N SER A 239 4.739 16.660 7.880 1.00 0.00 N ATOM 43 CA SER A 239 5.619 15.582 7.462 1.00 0.00 C ATOM 44 C SER A 239 4.957 14.770 6.345 1.00 0.00 C ATOM 45 O SER A 239 4.966 13.541 6.376 1.00 0.00 O ATOM 46 CB SER A 239 5.973 14.672 8.639 1.00 0.00 C ATOM 47 OG SER A 239 6.543 15.399 9.724 1.00 0.00 O ATOM 0 H SER A 239 3.744 16.440 7.836 1.00 0.00 H new ATOM 0 HA SER A 239 6.543 16.021 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 239 5.076 14.156 8.980 1.00 0.00 H new ATOM 0 HB3 SER A 239 6.675 13.907 8.307 1.00 0.00 H new ATOM 0 HG SER A 239 6.754 14.782 10.456 1.00 0.00 H new ATOM 53 N GLY A 240 4.400 15.492 5.384 1.00 0.00 N ATOM 54 CA GLY A 240 3.803 14.857 4.221 1.00 0.00 C ATOM 55 C GLY A 240 2.276 14.933 4.278 1.00 0.00 C ATOM 56 O GLY A 240 1.634 15.323 3.304 1.00 0.00 O ATOM 0 H GLY A 240 4.349 16.511 5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 240 4.161 15.343 3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 240 4.117 13.814 4.170 1.00 0.00 H new ATOM 60 N GLU A 241 1.739 14.554 5.428 1.00 0.00 N ATOM 61 CA GLU A 241 0.303 14.620 5.642 1.00 0.00 C ATOM 62 C GLU A 241 -0.434 13.878 4.525 1.00 0.00 C ATOM 63 O GLU A 241 -0.666 12.673 4.622 1.00 0.00 O ATOM 64 CB GLU A 241 -0.170 16.072 5.741 1.00 0.00 C ATOM 65 CG GLU A 241 0.101 16.643 7.134 1.00 0.00 C ATOM 66 CD GLU A 241 -0.486 18.048 7.274 1.00 0.00 C ATOM 67 OE1 GLU A 241 -0.817 18.685 6.263 1.00 0.00 O ATOM 68 OE2 GLU A 241 -0.595 18.475 8.486 1.00 0.00 O ATOM 0 H GLU A 241 2.273 14.200 6.222 1.00 0.00 H new ATOM 0 HA GLU A 241 0.073 14.132 6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 241 0.340 16.676 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -1.237 16.126 5.523 1.00 0.00 H new ATOM 0 HG2 GLU A 241 -0.331 15.987 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 241 1.175 16.674 7.316 1.00 0.00 H new ATOM 76 N LYS A 242 -0.783 14.629 3.489 1.00 0.00 N ATOM 77 CA LYS A 242 -1.509 14.061 2.366 1.00 0.00 C ATOM 78 C LYS A 242 -0.647 12.990 1.694 1.00 0.00 C ATOM 79 O LYS A 242 -1.154 11.949 1.280 1.00 0.00 O ATOM 80 CB LYS A 242 -1.969 15.166 1.413 1.00 0.00 C ATOM 81 CG LYS A 242 -2.801 14.590 0.266 1.00 0.00 C ATOM 82 CD LYS A 242 -1.950 14.412 -0.993 1.00 0.00 C ATOM 83 CE LYS A 242 -2.751 13.728 -2.104 1.00 0.00 C ATOM 84 NZ LYS A 242 -1.921 13.569 -3.317 1.00 0.00 N ATOM 0 H LYS A 242 -0.576 15.624 3.405 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.418 13.568 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -2.558 15.901 1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -1.101 15.689 1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -3.222 13.630 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -3.640 15.253 0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -1.598 15.384 -1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -1.067 13.818 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -3.098 12.753 -1.763 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -3.638 14.318 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -2.479 13.103 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -1.611 14.504 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -1.088 12.987 -3.094 1.00 0.00 H new ATOM 98 N MET A 243 0.643 13.282 1.609 1.00 0.00 N ATOM 99 CA MET A 243 1.589 12.334 1.047 1.00 0.00 C ATOM 100 C MET A 243 1.724 11.099 1.943 1.00 0.00 C ATOM 101 O MET A 243 1.682 9.968 1.459 1.00 0.00 O ATOM 102 CB MET A 243 2.955 13.004 0.895 1.00 0.00 C ATOM 103 CG MET A 243 2.925 14.064 -0.210 1.00 0.00 C ATOM 104 SD MET A 243 4.398 15.067 -0.134 1.00 0.00 S ATOM 105 CE MET A 243 5.592 13.917 -0.797 1.00 0.00 C ATOM 0 H MET A 243 1.055 14.162 1.920 1.00 0.00 H new ATOM 0 HA MET A 243 1.220 12.016 0.072 1.00 0.00 H new ATOM 0 HB2 MET A 243 3.245 13.465 1.839 1.00 0.00 H new ATOM 0 HB3 MET A 243 3.709 12.252 0.663 1.00 0.00 H new ATOM 0 HG2 MET A 243 2.853 13.582 -1.185 1.00 0.00 H new ATOM 0 HG3 MET A 243 2.041 14.692 -0.099 1.00 0.00 H new ATOM 0 HE1 MET A 243 6.350 13.704 -0.043 1.00 0.00 H new ATOM 0 HE2 MET A 243 5.089 12.991 -1.077 1.00 0.00 H new ATOM 0 HE3 MET A 243 6.067 14.352 -1.676 1.00 0.00 H new ATOM 115 N THR A 244 1.885 11.357 3.232 1.00 0.00 N ATOM 116 CA THR A 244 2.035 10.283 4.197 1.00 0.00 C ATOM 117 C THR A 244 0.812 9.364 4.168 1.00 0.00 C ATOM 118 O THR A 244 0.943 8.145 4.266 1.00 0.00 O ATOM 119 CB THR A 244 2.290 10.910 5.569 1.00 0.00 C ATOM 120 OG1 THR A 244 3.537 11.584 5.415 1.00 0.00 O ATOM 121 CG2 THR A 244 2.565 9.864 6.651 1.00 0.00 C ATOM 0 H THR A 244 1.915 12.295 3.631 1.00 0.00 H new ATOM 0 HA THR A 244 2.886 9.648 3.951 1.00 0.00 H new ATOM 0 HB THR A 244 1.429 11.512 5.858 1.00 0.00 H new ATOM 0 HG1 THR A 244 3.606 12.300 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 244 2.739 10.363 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 244 1.706 9.199 6.741 1.00 0.00 H new ATOM 0 HG23 THR A 244 3.446 9.283 6.380 1.00 0.00 H new ATOM 129 N LEU A 245 -0.351 9.986 4.033 1.00 0.00 N ATOM 130 CA LEU A 245 -1.590 9.237 3.917 1.00 0.00 C ATOM 131 C LEU A 245 -1.538 8.361 2.663 1.00 0.00 C ATOM 132 O LEU A 245 -1.823 7.166 2.723 1.00 0.00 O ATOM 133 CB LEU A 245 -2.794 10.182 3.957 1.00 0.00 C ATOM 134 CG LEU A 245 -3.518 10.288 5.300 1.00 0.00 C ATOM 135 CD1 LEU A 245 -2.628 10.953 6.351 1.00 0.00 C ATOM 136 CD2 LEU A 245 -4.859 11.008 5.144 1.00 0.00 C ATOM 0 H LEU A 245 -0.460 11.000 4.001 1.00 0.00 H new ATOM 0 HA LEU A 245 -1.710 8.568 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.459 11.178 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.512 9.856 3.204 1.00 0.00 H new ATOM 0 HG LEU A 245 -3.734 9.280 5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -3.167 11.016 7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -1.723 10.362 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -2.360 11.956 6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -5.354 11.070 6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.690 12.013 4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -5.491 10.454 4.449 1.00 0.00 H new ATOM 148 N SER A 246 -1.170 8.992 1.556 1.00 0.00 N ATOM 149 CA SER A 246 -1.057 8.282 0.294 1.00 0.00 C ATOM 150 C SER A 246 -0.185 7.038 0.468 1.00 0.00 C ATOM 151 O SER A 246 -0.616 5.925 0.167 1.00 0.00 O ATOM 152 CB SER A 246 -0.479 9.185 -0.797 1.00 0.00 C ATOM 153 OG SER A 246 -1.319 10.306 -1.064 1.00 0.00 O ATOM 0 H SER A 246 -0.947 9.986 1.508 1.00 0.00 H new ATOM 0 HA SER A 246 -2.057 7.977 -0.015 1.00 0.00 H new ATOM 0 HB2 SER A 246 0.507 9.535 -0.493 1.00 0.00 H new ATOM 0 HB3 SER A 246 -0.344 8.607 -1.711 1.00 0.00 H new ATOM 0 HG SER A 246 -1.309 10.913 -0.294 1.00 0.00 H new ATOM 159 N ILE A 247 1.026 7.266 0.954 1.00 0.00 N ATOM 160 CA ILE A 247 1.977 6.182 1.135 1.00 0.00 C ATOM 161 C ILE A 247 1.352 5.104 2.022 1.00 0.00 C ATOM 162 O ILE A 247 1.373 3.923 1.677 1.00 0.00 O ATOM 163 CB ILE A 247 3.308 6.720 1.669 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.948 7.685 0.668 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.249 5.575 2.045 1.00 0.00 C ATOM 166 CD1 ILE A 247 5.412 7.950 1.023 1.00 0.00 C ATOM 0 H ILE A 247 1.371 8.186 1.228 1.00 0.00 H new ATOM 0 HA ILE A 247 2.208 5.715 0.178 1.00 0.00 H new ATOM 0 HB ILE A 247 3.110 7.285 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.883 7.268 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 247 3.396 8.625 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 247 5.187 5.983 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.785 4.961 2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.447 4.963 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.844 8.639 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 247 5.471 8.389 2.019 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.966 7.011 1.007 1.00 0.00 H new ATOM 178 N SER A 248 0.808 5.548 3.146 1.00 0.00 N ATOM 179 CA SER A 248 0.225 4.628 4.109 1.00 0.00 C ATOM 180 C SER A 248 -0.817 3.743 3.422 1.00 0.00 C ATOM 181 O SER A 248 -1.014 2.593 3.813 1.00 0.00 O ATOM 182 CB SER A 248 -0.410 5.386 5.278 1.00 0.00 C ATOM 183 OG SER A 248 0.556 6.120 6.025 1.00 0.00 O ATOM 0 H SER A 248 0.759 6.532 3.411 1.00 0.00 H new ATOM 0 HA SER A 248 1.021 3.999 4.507 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.170 6.069 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 248 -0.917 4.680 5.936 1.00 0.00 H new ATOM 0 HG SER A 248 0.704 6.991 5.601 1.00 0.00 H new ATOM 189 N VAL A 249 -1.455 4.312 2.409 1.00 0.00 N ATOM 190 CA VAL A 249 -2.510 3.607 1.700 1.00 0.00 C ATOM 191 C VAL A 249 -1.884 2.666 0.669 1.00 0.00 C ATOM 192 O VAL A 249 -1.960 1.447 0.810 1.00 0.00 O ATOM 193 CB VAL A 249 -3.484 4.612 1.079 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.364 3.940 0.023 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.336 5.286 2.156 1.00 0.00 C ATOM 0 H VAL A 249 -1.262 5.252 2.063 1.00 0.00 H new ATOM 0 HA VAL A 249 -3.091 2.994 2.389 1.00 0.00 H new ATOM 0 HB VAL A 249 -2.898 5.386 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.047 4.675 -0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -3.735 3.529 -0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -4.938 3.137 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.019 5.995 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.909 4.530 2.693 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.688 5.814 2.855 1.00 0.00 H new ATOM 205 N LEU A 250 -1.280 3.268 -0.345 1.00 0.00 N ATOM 206 CA LEU A 250 -0.814 2.511 -1.495 1.00 0.00 C ATOM 207 C LEU A 250 0.174 1.441 -1.030 1.00 0.00 C ATOM 208 O LEU A 250 0.157 0.316 -1.529 1.00 0.00 O ATOM 209 CB LEU A 250 -0.247 3.451 -2.560 1.00 0.00 C ATOM 210 CG LEU A 250 -1.272 4.274 -3.343 1.00 0.00 C ATOM 211 CD1 LEU A 250 -1.493 5.640 -2.690 1.00 0.00 C ATOM 212 CD2 LEU A 250 -0.866 4.402 -4.814 1.00 0.00 C ATOM 0 H LEU A 250 -1.102 4.271 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.645 1.991 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.448 4.138 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.331 2.858 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 250 -2.225 3.746 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -2.226 6.205 -3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 250 -1.860 5.502 -1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.551 6.188 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -1.612 4.991 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 250 0.103 4.896 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -0.800 3.410 -5.261 1.00 0.00 H new ATOM 224 N LEU A 251 1.012 1.826 -0.080 1.00 0.00 N ATOM 225 CA LEU A 251 2.122 0.981 0.329 1.00 0.00 C ATOM 226 C LEU A 251 1.577 -0.255 1.045 1.00 0.00 C ATOM 227 O LEU A 251 2.033 -1.371 0.800 1.00 0.00 O ATOM 228 CB LEU A 251 3.127 1.781 1.160 1.00 0.00 C ATOM 229 CG LEU A 251 4.486 1.119 1.387 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.323 1.131 0.105 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.225 1.769 2.559 1.00 0.00 C ATOM 0 H LEU A 251 0.945 2.713 0.419 1.00 0.00 H new ATOM 0 HA LEU A 251 2.674 0.628 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.290 2.741 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.680 1.990 2.132 1.00 0.00 H new ATOM 0 HG LEU A 251 4.317 0.075 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.285 0.654 0.294 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.796 0.587 -0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.485 2.161 -0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.189 1.279 2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.383 2.827 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.630 1.665 3.467 1.00 0.00 H new ATOM 243 N SER A 252 0.606 -0.017 1.917 1.00 0.00 N ATOM 244 CA SER A 252 -0.070 -1.106 2.600 1.00 0.00 C ATOM 245 C SER A 252 -0.864 -1.942 1.595 1.00 0.00 C ATOM 246 O SER A 252 -1.038 -3.145 1.781 1.00 0.00 O ATOM 247 CB SER A 252 -0.995 -0.576 3.698 1.00 0.00 C ATOM 248 OG SER A 252 -2.092 0.159 3.163 1.00 0.00 O ATOM 0 H SER A 252 0.272 0.914 2.165 1.00 0.00 H new ATOM 0 HA SER A 252 0.685 -1.736 3.070 1.00 0.00 H new ATOM 0 HB2 SER A 252 -1.372 -1.411 4.289 1.00 0.00 H new ATOM 0 HB3 SER A 252 -0.426 0.062 4.374 1.00 0.00 H new ATOM 0 HG SER A 252 -1.784 0.703 2.408 1.00 0.00 H new ATOM 254 N LEU A 253 -1.326 -1.271 0.549 1.00 0.00 N ATOM 255 CA LEU A 253 -2.037 -1.949 -0.521 1.00 0.00 C ATOM 256 C LEU A 253 -1.041 -2.744 -1.368 1.00 0.00 C ATOM 257 O LEU A 253 -1.369 -3.815 -1.876 1.00 0.00 O ATOM 258 CB LEU A 253 -2.870 -0.951 -1.327 1.00 0.00 C ATOM 259 CG LEU A 253 -4.178 -1.487 -1.913 1.00 0.00 C ATOM 260 CD1 LEU A 253 -5.009 -0.357 -2.522 1.00 0.00 C ATOM 261 CD2 LEU A 253 -3.908 -2.608 -2.920 1.00 0.00 C ATOM 0 H LEU A 253 -1.221 -0.265 0.420 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.749 -2.665 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -3.104 -0.102 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -2.257 -0.573 -2.145 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.766 -1.917 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -5.933 -0.765 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -5.246 0.376 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -4.441 0.124 -3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -4.854 -2.972 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -3.291 -2.226 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -3.387 -3.426 -2.423 1.00 0.00 H new ATOM 273 N THR A 254 0.155 -2.188 -1.491 1.00 0.00 N ATOM 274 CA THR A 254 1.177 -2.790 -2.333 1.00 0.00 C ATOM 275 C THR A 254 1.852 -3.952 -1.602 1.00 0.00 C ATOM 276 O THR A 254 2.290 -4.914 -2.230 1.00 0.00 O ATOM 277 CB THR A 254 2.150 -1.689 -2.756 1.00 0.00 C ATOM 278 OG1 THR A 254 1.371 -0.838 -3.593 1.00 0.00 O ATOM 279 CG2 THR A 254 3.256 -2.207 -3.677 1.00 0.00 C ATOM 0 H THR A 254 0.440 -1.328 -1.023 1.00 0.00 H new ATOM 0 HA THR A 254 0.744 -3.223 -3.235 1.00 0.00 H new ATOM 0 HB THR A 254 2.597 -1.240 -1.869 1.00 0.00 H new ATOM 0 HG1 THR A 254 0.904 -0.176 -3.042 1.00 0.00 H new ATOM 0 HG21 THR A 254 3.919 -1.385 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 254 3.827 -2.979 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 254 2.811 -2.626 -4.579 1.00 0.00 H new ATOM 287 N VAL A 255 1.915 -3.824 -0.285 1.00 0.00 N ATOM 288 CA VAL A 255 2.422 -4.901 0.549 1.00 0.00 C ATOM 289 C VAL A 255 1.399 -6.037 0.586 1.00 0.00 C ATOM 290 O VAL A 255 1.765 -7.211 0.547 1.00 0.00 O ATOM 291 CB VAL A 255 2.774 -4.366 1.939 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.897 -5.508 2.950 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.054 -3.530 1.897 1.00 0.00 C ATOM 0 H VAL A 255 1.623 -2.991 0.226 1.00 0.00 H new ATOM 0 HA VAL A 255 3.343 -5.307 0.130 1.00 0.00 H new ATOM 0 HB VAL A 255 1.961 -3.717 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.148 -5.101 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.950 -6.044 3.011 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.682 -6.194 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.281 -3.162 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.880 -4.146 1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.915 -2.685 1.223 1.00 0.00 H new ATOM 303 N PHE A 256 0.133 -5.648 0.661 1.00 0.00 N ATOM 304 CA PHE A 256 -0.951 -6.612 0.589 1.00 0.00 C ATOM 305 C PHE A 256 -1.038 -7.238 -0.805 1.00 0.00 C ATOM 306 O PHE A 256 -1.397 -8.406 -0.943 1.00 0.00 O ATOM 307 CB PHE A 256 -2.246 -5.850 0.875 1.00 0.00 C ATOM 308 CG PHE A 256 -3.507 -6.715 0.801 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.612 -7.831 1.571 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.521 -6.370 -0.036 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.781 -8.634 1.503 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.690 -7.171 -0.105 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.797 -8.287 0.666 1.00 0.00 C ATOM 0 H PHE A 256 -0.165 -4.679 0.771 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.784 -7.414 1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.181 -5.404 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.338 -5.030 0.163 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -2.806 -8.107 2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -4.437 -5.485 -0.649 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -4.864 -9.520 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -6.495 -6.895 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.687 -8.897 0.614 1.00 0.00 H new ATOM 323 N LEU A 257 -0.703 -6.433 -1.801 1.00 0.00 N ATOM 324 CA LEU A 257 -0.644 -6.919 -3.169 1.00 0.00 C ATOM 325 C LEU A 257 0.526 -7.895 -3.309 1.00 0.00 C ATOM 326 O LEU A 257 0.402 -8.929 -3.965 1.00 0.00 O ATOM 327 CB LEU A 257 -0.589 -5.749 -4.153 1.00 0.00 C ATOM 328 CG LEU A 257 -0.694 -6.111 -5.635 1.00 0.00 C ATOM 329 CD1 LEU A 257 0.673 -6.501 -6.202 1.00 0.00 C ATOM 330 CD2 LEU A 257 -1.739 -7.207 -5.859 1.00 0.00 C ATOM 0 H LEU A 257 -0.469 -5.447 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.552 -7.470 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.397 -5.058 -3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.347 -5.213 -3.996 1.00 0.00 H new ATOM 0 HG LEU A 257 -1.030 -5.228 -6.179 1.00 0.00 H new ATOM 0 HD11 LEU A 257 0.570 -6.754 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 257 1.364 -5.664 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 257 1.060 -7.363 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -1.794 -7.446 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -1.456 -8.099 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 257 -2.712 -6.857 -5.515 1.00 0.00 H new ATOM 342 N LEU A 258 1.635 -7.533 -2.682 1.00 0.00 N ATOM 343 CA LEU A 258 2.796 -8.406 -2.651 1.00 0.00 C ATOM 344 C LEU A 258 2.414 -9.732 -1.993 1.00 0.00 C ATOM 345 O LEU A 258 2.704 -10.801 -2.528 1.00 0.00 O ATOM 346 CB LEU A 258 3.977 -7.703 -1.977 1.00 0.00 C ATOM 347 CG LEU A 258 5.364 -8.043 -2.529 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.451 -7.235 -1.817 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.627 -9.549 -2.456 1.00 0.00 C ATOM 0 H LEU A 258 1.754 -6.647 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 258 3.127 -8.636 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.829 -6.626 -2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.961 -7.946 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 258 5.393 -7.761 -3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.426 -7.496 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.268 -6.171 -1.964 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.434 -7.462 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.619 -9.765 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.573 -9.878 -1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.877 -10.078 -3.044 1.00 0.00 H new ATOM 361 N VAL A 259 1.768 -9.621 -0.841 1.00 0.00 N ATOM 362 CA VAL A 259 1.292 -10.797 -0.133 1.00 0.00 C ATOM 363 C VAL A 259 0.486 -11.674 -1.091 1.00 0.00 C ATOM 364 O VAL A 259 0.664 -12.890 -1.126 1.00 0.00 O ATOM 365 CB VAL A 259 0.497 -10.376 1.106 1.00 0.00 C ATOM 366 CG1 VAL A 259 -0.403 -11.513 1.591 1.00 0.00 C ATOM 367 CG2 VAL A 259 1.430 -9.901 2.221 1.00 0.00 C ATOM 0 H VAL A 259 1.563 -8.734 -0.380 1.00 0.00 H new ATOM 0 HA VAL A 259 2.132 -11.394 0.223 1.00 0.00 H new ATOM 0 HB VAL A 259 -0.142 -9.539 0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.957 -11.188 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -1.104 -11.784 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.209 -12.378 1.846 1.00 0.00 H new ATOM 0 HG21 VAL A 259 0.840 -9.608 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.107 -10.709 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.010 -9.047 1.871 1.00 0.00 H new ATOM 377 N ILE A 260 -0.385 -11.022 -1.848 1.00 0.00 N ATOM 378 CA ILE A 260 -1.283 -11.736 -2.739 1.00 0.00 C ATOM 379 C ILE A 260 -0.467 -12.428 -3.833 1.00 0.00 C ATOM 380 O ILE A 260 -0.773 -13.554 -4.220 1.00 0.00 O ATOM 381 CB ILE A 260 -2.360 -10.793 -3.282 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.435 -10.526 -2.225 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.957 -11.333 -4.582 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.368 -9.394 -2.666 1.00 0.00 C ATOM 0 H ILE A 260 -0.487 -10.007 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.816 -12.516 -2.196 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.892 -9.837 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -4.014 -11.433 -2.053 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -2.962 -10.265 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.719 -10.644 -4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -2.170 -11.432 -5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.408 -12.308 -4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.122 -9.224 -1.898 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -3.789 -8.482 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.857 -9.669 -3.600 1.00 0.00 H new ATOM 396 N VAL A 261 0.557 -11.725 -4.297 1.00 0.00 N ATOM 397 CA VAL A 261 1.399 -12.245 -5.361 1.00 0.00 C ATOM 398 C VAL A 261 2.217 -13.421 -4.828 1.00 0.00 C ATOM 399 O VAL A 261 2.696 -14.250 -5.602 1.00 0.00 O ATOM 400 CB VAL A 261 2.268 -11.123 -5.934 1.00 0.00 C ATOM 401 CG1 VAL A 261 3.457 -11.693 -6.710 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.440 -10.184 -6.813 1.00 0.00 C ATOM 0 H VAL A 261 0.822 -10.801 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 261 0.790 -12.619 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 261 2.660 -10.542 -5.099 1.00 0.00 H new ATOM 0 HG11 VAL A 261 4.058 -10.875 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 261 4.068 -12.303 -6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 261 3.093 -12.308 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 261 2.081 -9.396 -7.208 1.00 0.00 H new ATOM 0 HG22 VAL A 261 1.007 -10.747 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.642 -9.739 -6.219 1.00 0.00 H new ATOM 412 N GLU A 262 2.353 -13.459 -3.511 1.00 0.00 N ATOM 413 CA GLU A 262 3.018 -14.575 -2.859 1.00 0.00 C ATOM 414 C GLU A 262 2.082 -15.784 -2.788 1.00 0.00 C ATOM 415 O GLU A 262 2.514 -16.919 -2.981 1.00 0.00 O ATOM 416 CB GLU A 262 3.509 -14.180 -1.463 1.00 0.00 C ATOM 417 CG GLU A 262 4.756 -13.300 -1.551 1.00 0.00 C ATOM 418 CD GLU A 262 5.531 -13.313 -0.231 1.00 0.00 C ATOM 419 OE1 GLU A 262 5.058 -12.540 0.686 1.00 0.00 O ATOM 420 OE2 GLU A 262 6.533 -14.034 -0.107 1.00 0.00 O ATOM 0 H GLU A 262 2.014 -12.735 -2.877 1.00 0.00 H new ATOM 0 HA GLU A 262 3.890 -14.850 -3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.720 -13.647 -0.933 1.00 0.00 H new ATOM 0 HB3 GLU A 262 3.732 -15.077 -0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 262 5.399 -13.653 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 262 4.468 -12.278 -1.797 1.00 0.00 H new ATOM 428 N LEU A 263 0.818 -15.499 -2.514 1.00 0.00 N ATOM 429 CA LEU A 263 -0.137 -16.550 -2.205 1.00 0.00 C ATOM 430 C LEU A 263 -0.715 -17.104 -3.508 1.00 0.00 C ATOM 431 O LEU A 263 -1.110 -18.267 -3.571 1.00 0.00 O ATOM 432 CB LEU A 263 -1.198 -16.040 -1.229 1.00 0.00 C ATOM 433 CG LEU A 263 -1.657 -17.035 -0.161 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.598 -16.365 0.844 1.00 0.00 C ATOM 435 CD2 LEU A 263 -2.289 -18.273 -0.800 1.00 0.00 C ATOM 0 H LEU A 263 0.432 -14.555 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 263 0.357 -17.378 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -0.808 -15.154 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.070 -15.724 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.780 -17.371 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -2.910 -17.094 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.080 -15.541 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.475 -15.983 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -2.606 -18.964 -0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -3.153 -17.975 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -1.558 -18.764 -1.443 1.00 0.00 H new ATOM 447 N ILE A 264 -0.750 -16.245 -4.517 1.00 0.00 N ATOM 448 CA ILE A 264 -1.217 -16.650 -5.832 1.00 0.00 C ATOM 449 C ILE A 264 -0.476 -17.918 -6.261 1.00 0.00 C ATOM 450 O ILE A 264 -1.100 -18.908 -6.638 1.00 0.00 O ATOM 451 CB ILE A 264 -1.089 -15.495 -6.826 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.286 -14.548 -6.724 1.00 0.00 C ATOM 453 CG2 ILE A 264 -0.890 -16.017 -8.251 1.00 0.00 C ATOM 454 CD1 ILE A 264 -2.051 -13.277 -7.542 1.00 0.00 C ATOM 0 H ILE A 264 -0.462 -15.269 -4.450 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.279 -16.895 -5.802 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.201 -14.919 -6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -3.185 -15.052 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -2.459 -14.286 -5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -0.802 -15.175 -8.938 1.00 0.00 H new ATOM 0 HG22 ILE A 264 0.018 -16.618 -8.295 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -1.745 -16.630 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -2.917 -12.621 -7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -1.166 -12.762 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -1.903 -13.541 -8.589 1.00 0.00 H new ATOM 466 N PRO A 265 0.880 -17.844 -6.190 1.00 0.00 N ATOM 467 CA PRO A 265 1.705 -19.025 -6.367 1.00 0.00 C ATOM 468 C PRO A 265 1.656 -19.920 -5.126 1.00 0.00 C ATOM 469 O PRO A 265 2.651 -20.064 -4.420 1.00 0.00 O ATOM 470 CB PRO A 265 3.100 -18.493 -6.659 1.00 0.00 C ATOM 471 CG PRO A 265 3.104 -17.051 -6.178 1.00 0.00 C ATOM 472 CD PRO A 265 1.660 -16.634 -5.940 1.00 0.00 C ATOM 0 HA PRO A 265 1.357 -19.661 -7.181 1.00 0.00 H new ATOM 0 HB2 PRO A 265 3.858 -19.080 -6.141 1.00 0.00 H new ATOM 0 HB3 PRO A 265 3.325 -18.550 -7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.685 -16.956 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 265 3.571 -16.403 -6.919 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.515 -16.272 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 265 1.365 -15.827 -6.610 1.00 0.00 H new ATOM 480 N SER A 266 0.484 -20.497 -4.899 1.00 0.00 N ATOM 481 CA SER A 266 0.291 -21.375 -3.757 1.00 0.00 C ATOM 482 C SER A 266 -1.155 -21.874 -3.719 1.00 0.00 C ATOM 483 O SER A 266 -1.398 -23.075 -3.614 1.00 0.00 O ATOM 484 CB SER A 266 0.642 -20.663 -2.450 1.00 0.00 C ATOM 485 OG SER A 266 -0.043 -21.227 -1.335 1.00 0.00 O ATOM 0 H SER A 266 -0.341 -20.373 -5.486 1.00 0.00 H new ATOM 0 HA SER A 266 0.960 -22.229 -3.865 1.00 0.00 H new ATOM 0 HB2 SER A 266 1.717 -20.722 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 266 0.390 -19.606 -2.534 1.00 0.00 H new ATOM 0 HG SER A 266 0.209 -20.746 -0.519 1.00 0.00 H new ATOM 491 N THR A 267 -2.077 -20.926 -3.806 1.00 0.00 N ATOM 492 CA THR A 267 -3.488 -21.260 -3.875 1.00 0.00 C ATOM 493 C THR A 267 -4.180 -20.432 -4.961 1.00 0.00 C ATOM 494 O THR A 267 -4.833 -20.984 -5.845 1.00 0.00 O ATOM 495 CB THR A 267 -4.091 -21.060 -2.483 1.00 0.00 C ATOM 496 OG1 THR A 267 -3.379 -21.980 -1.661 1.00 0.00 O ATOM 497 CG2 THR A 267 -5.544 -21.531 -2.399 1.00 0.00 C ATOM 0 H THR A 267 -1.873 -19.927 -3.830 1.00 0.00 H new ATOM 0 HA THR A 267 -3.633 -22.302 -4.161 1.00 0.00 H new ATOM 0 HB THR A 267 -4.037 -20.005 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 267 -3.706 -21.916 -0.739 1.00 0.00 H new ATOM 0 HG21 THR A 267 -5.922 -21.366 -1.390 1.00 0.00 H new ATOM 0 HG22 THR A 267 -6.150 -20.970 -3.110 1.00 0.00 H new ATOM 0 HG23 THR A 267 -5.596 -22.593 -2.637 1.00 0.00 H new HETATM 505 N NH2 A 268 -4.012 -19.122 -4.858 1.00 0.00 N TER 508 NH2 A 268