USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 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 237 THR OG1 : rot -130:sc= 1.06 USER MOD Set 1.2: A 244 THR OG1 : rot -176:sc= 1.1 USER MOD Single : A 239 SER OG : rot 180:sc= 0 USER MOD Single : A 242 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0523) USER MOD Single : A 243 MET CE :methyl -178:sc= 0 (180deg=-0.00364) USER MOD Single : A 246 SER OG : rot -40:sc= 0.467! USER MOD Single : A 248 SER OG : rot -26:sc= 0.648 USER MOD Single : A 252 SER OG : rot 180:sc= 0 USER MOD Single : A 254 THR OG1 : rot 81:sc= 0.89 USER MOD Single : A 266 SER OG : rot 180:sc= 0 USER MOD Single : A 267 THR OG1 : rot 36:sc= 0.295 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 236 9.219 10.933 9.361 1.00 0.00 N ATOM 2 CA PRO A 236 8.667 11.696 10.466 1.00 0.00 C ATOM 3 C PRO A 236 7.366 12.387 10.057 1.00 0.00 C ATOM 4 O PRO A 236 6.485 12.601 10.889 1.00 0.00 O ATOM 5 CB PRO A 236 9.764 12.674 10.854 1.00 0.00 C ATOM 6 CG PRO A 236 10.704 12.743 9.663 1.00 0.00 C ATOM 7 CD PRO A 236 10.378 11.576 8.744 1.00 0.00 C ATOM 0 HA PRO A 236 8.392 11.070 11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.349 13.656 11.081 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.290 12.336 11.747 1.00 0.00 H new ATOM 0 HG2 PRO A 236 10.583 13.689 9.136 1.00 0.00 H new ATOM 0 HG3 PRO A 236 11.742 12.691 9.992 1.00 0.00 H new ATOM 0 HD2 PRO A 236 10.151 11.918 7.734 1.00 0.00 H new ATOM 0 HD3 PRO A 236 11.219 10.887 8.665 1.00 0.00 H new ATOM 16 N THR A 237 7.285 12.717 8.775 1.00 0.00 N ATOM 17 CA THR A 237 6.134 13.439 8.261 1.00 0.00 C ATOM 18 C THR A 237 6.076 14.846 8.862 1.00 0.00 C ATOM 19 O THR A 237 6.431 15.044 10.022 1.00 0.00 O ATOM 20 CB THR A 237 4.884 12.604 8.545 1.00 0.00 C ATOM 21 OG1 THR A 237 4.270 12.453 7.268 1.00 0.00 O ATOM 22 CG2 THR A 237 3.846 13.368 9.369 1.00 0.00 C ATOM 0 H THR A 237 7.997 12.498 8.079 1.00 0.00 H new ATOM 0 HA THR A 237 6.206 13.582 7.183 1.00 0.00 H new ATOM 0 HB THR A 237 5.168 11.693 9.072 1.00 0.00 H new ATOM 0 HG1 THR A 237 3.321 12.691 7.331 1.00 0.00 H new ATOM 0 HG21 THR A 237 2.979 12.731 9.543 1.00 0.00 H new ATOM 0 HG22 THR A 237 4.282 13.657 10.326 1.00 0.00 H new ATOM 0 HG23 THR A 237 3.537 14.262 8.827 1.00 0.00 H new ATOM 30 N ASP A 238 5.624 15.786 8.044 1.00 0.00 N ATOM 31 CA ASP A 238 5.597 17.180 8.450 1.00 0.00 C ATOM 32 C ASP A 238 5.073 18.033 7.293 1.00 0.00 C ATOM 33 O ASP A 238 4.120 18.793 7.459 1.00 0.00 O ATOM 34 CB ASP A 238 6.999 17.678 8.806 1.00 0.00 C ATOM 35 CG ASP A 238 7.123 18.325 10.186 1.00 0.00 C ATOM 36 OD1 ASP A 238 7.270 17.499 11.165 1.00 0.00 O ATOM 37 OD2 ASP A 238 7.084 19.558 10.319 1.00 0.00 O ATOM 0 H ASP A 238 5.274 15.609 7.103 1.00 0.00 H new ATOM 0 HA ASP A 238 4.952 17.264 9.325 1.00 0.00 H new ATOM 0 HB2 ASP A 238 7.692 16.838 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 238 7.314 18.400 8.053 1.00 0.00 H new ATOM 42 N SER A 239 5.718 17.878 6.146 1.00 0.00 N ATOM 43 CA SER A 239 5.302 18.594 4.951 1.00 0.00 C ATOM 44 C SER A 239 4.422 17.694 4.082 1.00 0.00 C ATOM 45 O SER A 239 3.451 18.158 3.485 1.00 0.00 O ATOM 46 CB SER A 239 6.513 19.082 4.153 1.00 0.00 C ATOM 47 OG SER A 239 6.127 19.810 2.990 1.00 0.00 O ATOM 0 H SER A 239 6.525 17.268 6.018 1.00 0.00 H new ATOM 0 HA SER A 239 4.726 19.467 5.258 1.00 0.00 H new ATOM 0 HB2 SER A 239 7.134 19.714 4.787 1.00 0.00 H new ATOM 0 HB3 SER A 239 7.123 18.227 3.860 1.00 0.00 H new ATOM 0 HG SER A 239 6.928 20.106 2.508 1.00 0.00 H new ATOM 53 N GLY A 240 4.790 16.422 4.040 1.00 0.00 N ATOM 54 CA GLY A 240 4.097 15.471 3.187 1.00 0.00 C ATOM 55 C GLY A 240 2.991 14.749 3.959 1.00 0.00 C ATOM 56 O GLY A 240 2.828 13.536 3.830 1.00 0.00 O ATOM 0 H GLY A 240 5.559 16.028 4.582 1.00 0.00 H new ATOM 0 HA2 GLY A 240 3.668 15.991 2.330 1.00 0.00 H new ATOM 0 HA3 GLY A 240 4.807 14.743 2.795 1.00 0.00 H new ATOM 60 N GLU A 241 2.258 15.524 4.744 1.00 0.00 N ATOM 61 CA GLU A 241 1.209 14.966 5.581 1.00 0.00 C ATOM 62 C GLU A 241 0.142 14.292 4.714 1.00 0.00 C ATOM 63 O GLU A 241 -0.187 13.124 4.926 1.00 0.00 O ATOM 64 CB GLU A 241 0.588 16.042 6.473 1.00 0.00 C ATOM 65 CG GLU A 241 1.591 16.531 7.520 1.00 0.00 C ATOM 66 CD GLU A 241 0.967 17.599 8.421 1.00 0.00 C ATOM 67 OE1 GLU A 241 -0.265 17.653 8.556 1.00 0.00 O ATOM 68 OE2 GLU A 241 1.809 18.389 8.993 1.00 0.00 O ATOM 0 H GLU A 241 2.370 16.535 4.818 1.00 0.00 H new ATOM 0 HA GLU A 241 1.653 14.212 6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 241 0.258 16.881 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 241 -0.296 15.642 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 241 1.928 15.690 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 241 2.471 16.939 7.023 1.00 0.00 H new ATOM 76 N LYS A 242 -0.366 15.052 3.758 1.00 0.00 N ATOM 77 CA LYS A 242 -1.336 14.521 2.814 1.00 0.00 C ATOM 78 C LYS A 242 -0.701 13.372 2.029 1.00 0.00 C ATOM 79 O LYS A 242 -1.377 12.407 1.677 1.00 0.00 O ATOM 80 CB LYS A 242 -1.890 15.639 1.929 1.00 0.00 C ATOM 81 CG LYS A 242 -2.960 15.103 0.975 1.00 0.00 C ATOM 82 CD LYS A 242 -3.675 16.249 0.255 1.00 0.00 C ATOM 83 CE LYS A 242 -4.642 15.711 -0.803 1.00 0.00 C ATOM 84 NZ LYS A 242 -5.778 15.015 -0.161 1.00 0.00 N ATOM 0 H LYS A 242 -0.125 16.033 3.615 1.00 0.00 H new ATOM 0 HA LYS A 242 -2.196 14.109 3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 242 -2.315 16.425 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 242 -1.080 16.090 1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 242 -2.500 14.439 0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 242 -3.685 14.510 1.532 1.00 0.00 H new ATOM 0 HD2 LYS A 242 -4.221 16.854 0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 242 -2.941 16.902 -0.216 1.00 0.00 H new ATOM 0 HE2 LYS A 242 -5.011 16.532 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 242 -4.117 15.026 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 242 -6.482 14.761 -0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 242 -5.436 14.152 0.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 242 -6.216 15.642 0.544 1.00 0.00 H new ATOM 98 N MET A 243 0.593 13.514 1.778 1.00 0.00 N ATOM 99 CA MET A 243 1.343 12.466 1.110 1.00 0.00 C ATOM 100 C MET A 243 1.316 11.168 1.920 1.00 0.00 C ATOM 101 O MET A 243 1.103 10.090 1.367 1.00 0.00 O ATOM 102 CB MET A 243 2.793 12.917 0.921 1.00 0.00 C ATOM 103 CG MET A 243 3.417 12.255 -0.309 1.00 0.00 C ATOM 104 SD MET A 243 4.925 13.098 -0.757 1.00 0.00 S ATOM 105 CE MET A 243 6.047 12.378 0.429 1.00 0.00 C ATOM 0 H MET A 243 1.140 14.339 2.026 1.00 0.00 H new ATOM 0 HA MET A 243 0.881 12.278 0.141 1.00 0.00 H new ATOM 0 HB2 MET A 243 2.829 14.001 0.813 1.00 0.00 H new ATOM 0 HB3 MET A 243 3.374 12.666 1.808 1.00 0.00 H new ATOM 0 HG2 MET A 243 3.625 11.206 -0.101 1.00 0.00 H new ATOM 0 HG3 MET A 243 2.715 12.281 -1.142 1.00 0.00 H new ATOM 0 HE1 MET A 243 7.035 12.823 0.312 1.00 0.00 H new ATOM 0 HE2 MET A 243 5.681 12.568 1.438 1.00 0.00 H new ATOM 0 HE3 MET A 243 6.111 11.303 0.263 1.00 0.00 H new ATOM 115 N THR A 244 1.532 11.314 3.220 1.00 0.00 N ATOM 116 CA THR A 244 1.698 10.159 4.085 1.00 0.00 C ATOM 117 C THR A 244 0.418 9.322 4.109 1.00 0.00 C ATOM 118 O THR A 244 0.460 8.126 4.391 1.00 0.00 O ATOM 119 CB THR A 244 2.122 10.661 5.467 1.00 0.00 C ATOM 120 OG1 THR A 244 3.431 11.184 5.260 1.00 0.00 O ATOM 121 CG2 THR A 244 2.330 9.520 6.466 1.00 0.00 C ATOM 0 H THR A 244 1.596 12.215 3.694 1.00 0.00 H new ATOM 0 HA THR A 244 2.477 9.494 3.712 1.00 0.00 H new ATOM 0 HB THR A 244 1.367 11.347 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 244 3.808 11.471 6.118 1.00 0.00 H new ATOM 0 HG21 THR A 244 2.630 9.931 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 244 1.400 8.964 6.582 1.00 0.00 H new ATOM 0 HG23 THR A 244 3.109 8.852 6.098 1.00 0.00 H new ATOM 129 N LEU A 245 -0.689 9.984 3.809 1.00 0.00 N ATOM 130 CA LEU A 245 -1.949 9.286 3.612 1.00 0.00 C ATOM 131 C LEU A 245 -1.826 8.353 2.405 1.00 0.00 C ATOM 132 O LEU A 245 -2.209 7.187 2.477 1.00 0.00 O ATOM 133 CB LEU A 245 -3.103 10.283 3.502 1.00 0.00 C ATOM 134 CG LEU A 245 -3.786 10.665 4.818 1.00 0.00 C ATOM 135 CD1 LEU A 245 -2.829 11.436 5.729 1.00 0.00 C ATOM 136 CD2 LEU A 245 -5.080 11.440 4.557 1.00 0.00 C ATOM 0 H LEU A 245 -0.740 10.997 3.697 1.00 0.00 H new ATOM 0 HA LEU A 245 -2.178 8.663 4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 245 -2.728 11.192 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 245 -3.855 9.866 2.833 1.00 0.00 H new ATOM 0 HG LEU A 245 -4.059 9.749 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 245 -3.339 11.695 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 245 -1.961 10.816 5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 245 -2.504 12.347 5.227 1.00 0.00 H new ATOM 0 HD21 LEU A 245 -5.546 11.700 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 245 -4.853 12.351 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 245 -5.763 10.822 3.975 1.00 0.00 H new ATOM 148 N SER A 246 -1.290 8.901 1.324 1.00 0.00 N ATOM 149 CA SER A 246 -1.123 8.137 0.101 1.00 0.00 C ATOM 150 C SER A 246 -0.167 6.967 0.340 1.00 0.00 C ATOM 151 O SER A 246 -0.327 5.898 -0.247 1.00 0.00 O ATOM 152 CB SER A 246 -0.607 9.020 -1.036 1.00 0.00 C ATOM 153 OG SER A 246 0.732 9.454 -0.808 1.00 0.00 O ATOM 0 H SER A 246 -0.966 9.867 1.271 1.00 0.00 H new ATOM 0 HA SER A 246 -2.098 7.747 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 246 -0.655 8.468 -1.974 1.00 0.00 H new ATOM 0 HB3 SER A 246 -1.256 9.889 -1.144 1.00 0.00 H new ATOM 0 HG SER A 246 0.845 9.683 0.138 1.00 0.00 H new ATOM 159 N ILE A 247 0.807 7.208 1.206 1.00 0.00 N ATOM 160 CA ILE A 247 1.817 6.204 1.495 1.00 0.00 C ATOM 161 C ILE A 247 1.199 5.098 2.353 1.00 0.00 C ATOM 162 O ILE A 247 1.326 3.918 2.034 1.00 0.00 O ATOM 163 CB ILE A 247 3.052 6.853 2.124 1.00 0.00 C ATOM 164 CG1 ILE A 247 3.594 7.976 1.236 1.00 0.00 C ATOM 165 CG2 ILE A 247 4.121 5.805 2.438 1.00 0.00 C ATOM 166 CD1 ILE A 247 4.961 8.453 1.729 1.00 0.00 C ATOM 0 H ILE A 247 0.918 8.084 1.717 1.00 0.00 H new ATOM 0 HA ILE A 247 2.165 5.737 0.574 1.00 0.00 H new ATOM 0 HB ILE A 247 2.756 7.305 3.070 1.00 0.00 H new ATOM 0 HG12 ILE A 247 3.677 7.624 0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 247 2.893 8.811 1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 247 4.988 6.292 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 247 3.718 5.072 3.136 1.00 0.00 H new ATOM 0 HG23 ILE A 247 4.420 5.303 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 247 5.323 9.251 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 247 4.870 8.827 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 247 5.665 7.621 1.709 1.00 0.00 H new ATOM 178 N SER A 248 0.544 5.521 3.423 1.00 0.00 N ATOM 179 CA SER A 248 -0.012 4.579 4.381 1.00 0.00 C ATOM 180 C SER A 248 -0.994 3.638 3.679 1.00 0.00 C ATOM 181 O SER A 248 -1.190 2.504 4.114 1.00 0.00 O ATOM 182 CB SER A 248 -0.709 5.309 5.531 1.00 0.00 C ATOM 183 OG SER A 248 -1.819 6.077 5.081 1.00 0.00 O ATOM 0 H SER A 248 0.385 6.503 3.649 1.00 0.00 H new ATOM 0 HA SER A 248 0.807 3.994 4.800 1.00 0.00 H new ATOM 0 HB2 SER A 248 -1.047 4.582 6.270 1.00 0.00 H new ATOM 0 HB3 SER A 248 0.005 5.963 6.031 1.00 0.00 H new ATOM 0 HG SER A 248 -1.685 6.327 4.143 1.00 0.00 H new ATOM 189 N VAL A 249 -1.582 4.142 2.605 1.00 0.00 N ATOM 190 CA VAL A 249 -2.600 3.393 1.889 1.00 0.00 C ATOM 191 C VAL A 249 -1.936 2.556 0.793 1.00 0.00 C ATOM 192 O VAL A 249 -2.078 1.335 0.768 1.00 0.00 O ATOM 193 CB VAL A 249 -3.667 4.347 1.346 1.00 0.00 C ATOM 194 CG1 VAL A 249 -4.592 3.632 0.359 1.00 0.00 C ATOM 195 CG2 VAL A 249 -4.467 4.980 2.487 1.00 0.00 C ATOM 0 H VAL A 249 -1.373 5.060 2.213 1.00 0.00 H new ATOM 0 HA VAL A 249 -3.110 2.704 2.562 1.00 0.00 H new ATOM 0 HB VAL A 249 -3.158 5.147 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 249 -5.340 4.333 -0.011 1.00 0.00 H new ATOM 0 HG12 VAL A 249 -4.006 3.251 -0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 249 -5.089 2.802 0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 249 -5.218 5.653 2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 249 -4.959 4.197 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 249 -3.794 5.541 3.136 1.00 0.00 H new ATOM 205 N LEU A 250 -1.226 3.247 -0.087 1.00 0.00 N ATOM 206 CA LEU A 250 -0.698 2.615 -1.284 1.00 0.00 C ATOM 207 C LEU A 250 0.376 1.599 -0.889 1.00 0.00 C ATOM 208 O LEU A 250 0.480 0.534 -1.493 1.00 0.00 O ATOM 209 CB LEU A 250 -0.210 3.672 -2.277 1.00 0.00 C ATOM 210 CG LEU A 250 -1.280 4.610 -2.839 1.00 0.00 C ATOM 211 CD1 LEU A 250 -0.644 5.806 -3.550 1.00 0.00 C ATOM 212 CD2 LEU A 250 -2.252 3.853 -3.748 1.00 0.00 C ATOM 0 H LEU A 250 -1.004 4.238 0.005 1.00 0.00 H new ATOM 0 HA LEU A 250 -1.483 2.063 -1.801 1.00 0.00 H new ATOM 0 HB2 LEU A 250 0.554 4.276 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 250 0.273 3.163 -3.111 1.00 0.00 H new ATOM 0 HG LEU A 250 -1.860 5.003 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 250 -1.427 6.456 -3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 250 -0.028 6.363 -2.844 1.00 0.00 H new ATOM 0 HD13 LEU A 250 -0.023 5.452 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 250 -3.002 4.543 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 250 -1.703 3.411 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 250 -2.744 3.064 -3.178 1.00 0.00 H new ATOM 224 N LEU A 251 1.148 1.967 0.123 1.00 0.00 N ATOM 225 CA LEU A 251 2.233 1.116 0.585 1.00 0.00 C ATOM 226 C LEU A 251 1.651 -0.171 1.173 1.00 0.00 C ATOM 227 O LEU A 251 2.175 -1.258 0.937 1.00 0.00 O ATOM 228 CB LEU A 251 3.138 1.880 1.553 1.00 0.00 C ATOM 229 CG LEU A 251 4.473 1.213 1.890 1.00 0.00 C ATOM 230 CD1 LEU A 251 5.392 1.177 0.668 1.00 0.00 C ATOM 231 CD2 LEU A 251 5.137 1.893 3.088 1.00 0.00 C ATOM 0 H LEU A 251 1.044 2.842 0.636 1.00 0.00 H new ATOM 0 HA LEU A 251 2.871 0.826 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 251 3.342 2.863 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 251 2.590 2.041 2.481 1.00 0.00 H new ATOM 0 HG LEU A 251 4.277 0.179 2.174 1.00 0.00 H new ATOM 0 HD11 LEU A 251 6.334 0.698 0.935 1.00 0.00 H new ATOM 0 HD12 LEU A 251 4.912 0.613 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 251 5.586 2.194 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 251 6.084 1.400 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 251 5.319 2.942 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 251 4.482 1.822 3.956 1.00 0.00 H new ATOM 243 N SER A 252 0.573 -0.005 1.926 1.00 0.00 N ATOM 244 CA SER A 252 -0.124 -1.145 2.496 1.00 0.00 C ATOM 245 C SER A 252 -0.782 -1.965 1.385 1.00 0.00 C ATOM 246 O SER A 252 -0.849 -3.190 1.469 1.00 0.00 O ATOM 247 CB SER A 252 -1.172 -0.696 3.517 1.00 0.00 C ATOM 248 OG SER A 252 -1.865 -1.800 4.090 1.00 0.00 O ATOM 0 H SER A 252 0.166 0.902 2.154 1.00 0.00 H new ATOM 0 HA SER A 252 0.605 -1.767 3.015 1.00 0.00 H new ATOM 0 HB2 SER A 252 -0.686 -0.123 4.307 1.00 0.00 H new ATOM 0 HB3 SER A 252 -1.887 -0.030 3.034 1.00 0.00 H new ATOM 0 HG SER A 252 -2.524 -1.472 4.737 1.00 0.00 H new ATOM 254 N LEU A 253 -1.253 -1.256 0.370 1.00 0.00 N ATOM 255 CA LEU A 253 -1.898 -1.903 -0.761 1.00 0.00 C ATOM 256 C LEU A 253 -0.853 -2.690 -1.554 1.00 0.00 C ATOM 257 O LEU A 253 -1.143 -3.770 -2.067 1.00 0.00 O ATOM 258 CB LEU A 253 -2.663 -0.877 -1.600 1.00 0.00 C ATOM 259 CG LEU A 253 -3.935 -1.386 -2.282 1.00 0.00 C ATOM 260 CD1 LEU A 253 -3.647 -2.631 -3.121 1.00 0.00 C ATOM 261 CD2 LEU A 253 -5.046 -1.628 -1.260 1.00 0.00 C ATOM 0 H LEU A 253 -1.201 -0.239 0.307 1.00 0.00 H new ATOM 0 HA LEU A 253 -2.645 -2.619 -0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -2.929 -0.037 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -1.992 -0.491 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 253 -4.289 -0.613 -2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -4.568 -2.972 -3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -2.912 -2.390 -3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -3.256 -3.420 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -5.938 -1.989 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -4.717 -2.372 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -5.276 -0.695 -0.745 1.00 0.00 H new ATOM 273 N THR A 254 0.339 -2.119 -1.632 1.00 0.00 N ATOM 274 CA THR A 254 1.414 -2.730 -2.395 1.00 0.00 C ATOM 275 C THR A 254 1.975 -3.942 -1.650 1.00 0.00 C ATOM 276 O THR A 254 2.283 -4.965 -2.262 1.00 0.00 O ATOM 277 CB THR A 254 2.463 -1.654 -2.680 1.00 0.00 C ATOM 278 OG1 THR A 254 1.808 -0.760 -3.577 1.00 0.00 O ATOM 279 CG2 THR A 254 3.648 -2.190 -3.487 1.00 0.00 C ATOM 0 H THR A 254 0.585 -1.239 -1.179 1.00 0.00 H new ATOM 0 HA THR A 254 1.053 -3.113 -3.349 1.00 0.00 H new ATOM 0 HB THR A 254 2.823 -1.240 -1.738 1.00 0.00 H new ATOM 0 HG1 THR A 254 1.233 -0.150 -3.069 1.00 0.00 H new ATOM 0 HG21 THR A 254 4.363 -1.386 -3.662 1.00 0.00 H new ATOM 0 HG22 THR A 254 4.133 -2.993 -2.932 1.00 0.00 H new ATOM 0 HG23 THR A 254 3.293 -2.574 -4.443 1.00 0.00 H new ATOM 287 N VAL A 255 2.090 -3.790 -0.338 1.00 0.00 N ATOM 288 CA VAL A 255 2.564 -4.876 0.502 1.00 0.00 C ATOM 289 C VAL A 255 1.553 -6.023 0.462 1.00 0.00 C ATOM 290 O VAL A 255 1.934 -7.191 0.411 1.00 0.00 O ATOM 291 CB VAL A 255 2.831 -4.364 1.918 1.00 0.00 C ATOM 292 CG1 VAL A 255 2.905 -5.521 2.917 1.00 0.00 C ATOM 293 CG2 VAL A 255 4.105 -3.519 1.964 1.00 0.00 C ATOM 0 H VAL A 255 1.863 -2.931 0.163 1.00 0.00 H new ATOM 0 HA VAL A 255 3.511 -5.264 0.127 1.00 0.00 H new ATOM 0 HB VAL A 255 1.995 -3.727 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 255 3.096 -5.128 3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 255 1.960 -6.064 2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 255 3.712 -6.196 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 255 4.272 -3.167 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 255 4.954 -4.123 1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 255 3.998 -2.663 1.297 1.00 0.00 H new ATOM 303 N PHE A 256 0.281 -5.650 0.489 1.00 0.00 N ATOM 304 CA PHE A 256 -0.788 -6.630 0.389 1.00 0.00 C ATOM 305 C PHE A 256 -0.811 -7.274 -0.999 1.00 0.00 C ATOM 306 O PHE A 256 -1.034 -8.478 -1.124 1.00 0.00 O ATOM 307 CB PHE A 256 -2.104 -5.881 0.612 1.00 0.00 C ATOM 308 CG PHE A 256 -3.353 -6.729 0.368 1.00 0.00 C ATOM 309 CD1 PHE A 256 -3.689 -7.712 1.244 1.00 0.00 C ATOM 310 CD2 PHE A 256 -4.127 -6.499 -0.727 1.00 0.00 C ATOM 311 CE1 PHE A 256 -4.849 -8.501 1.016 1.00 0.00 C ATOM 312 CE2 PHE A 256 -5.287 -7.287 -0.954 1.00 0.00 C ATOM 313 CZ PHE A 256 -5.623 -8.271 -0.077 1.00 0.00 C ATOM 0 H PHE A 256 -0.033 -4.684 0.579 1.00 0.00 H new ATOM 0 HA PHE A 256 -0.640 -7.420 1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 256 -2.127 -5.505 1.635 1.00 0.00 H new ATOM 0 HB3 PHE A 256 -2.132 -5.013 -0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 256 -3.075 -7.894 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 256 -3.860 -5.718 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 256 -5.115 -9.283 1.711 1.00 0.00 H new ATOM 0 HE2 PHE A 256 -5.902 -7.105 -1.823 1.00 0.00 H new ATOM 0 HZ PHE A 256 -6.505 -8.870 -0.249 1.00 0.00 H new ATOM 323 N LEU A 257 -0.579 -6.446 -2.007 1.00 0.00 N ATOM 324 CA LEU A 257 -0.524 -6.928 -3.375 1.00 0.00 C ATOM 325 C LEU A 257 0.644 -7.905 -3.521 1.00 0.00 C ATOM 326 O LEU A 257 0.569 -8.856 -4.295 1.00 0.00 O ATOM 327 CB LEU A 257 -0.470 -5.754 -4.355 1.00 0.00 C ATOM 328 CG LEU A 257 -0.557 -6.116 -5.839 1.00 0.00 C ATOM 329 CD1 LEU A 257 -1.933 -6.689 -6.185 1.00 0.00 C ATOM 330 CD2 LEU A 257 -0.200 -4.914 -6.717 1.00 0.00 C ATOM 0 H LEU A 257 -0.427 -5.443 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 257 -1.432 -7.478 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 257 -1.287 -5.072 -4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 257 0.459 -5.209 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 257 0.177 -6.896 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 257 -1.967 -6.938 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 257 -2.111 -7.588 -5.595 1.00 0.00 H new ATOM 0 HD13 LEU A 257 -2.702 -5.950 -5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 257 -0.269 -5.197 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 257 -0.893 -4.097 -6.515 1.00 0.00 H new ATOM 0 HD23 LEU A 257 0.817 -4.590 -6.495 1.00 0.00 H new ATOM 342 N LEU A 258 1.697 -7.635 -2.763 1.00 0.00 N ATOM 343 CA LEU A 258 2.836 -8.537 -2.717 1.00 0.00 C ATOM 344 C LEU A 258 2.398 -9.879 -2.128 1.00 0.00 C ATOM 345 O LEU A 258 2.500 -10.913 -2.786 1.00 0.00 O ATOM 346 CB LEU A 258 4.003 -7.887 -1.969 1.00 0.00 C ATOM 347 CG LEU A 258 5.404 -8.286 -2.435 1.00 0.00 C ATOM 348 CD1 LEU A 258 6.470 -7.393 -1.797 1.00 0.00 C ATOM 349 CD2 LEU A 258 5.667 -9.770 -2.171 1.00 0.00 C ATOM 0 H LEU A 258 1.785 -6.805 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 258 3.204 -8.737 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 258 3.907 -6.805 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 258 3.911 -8.130 -0.911 1.00 0.00 H new ATOM 0 HG LEU A 258 5.461 -8.135 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 258 7.457 -7.698 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 258 6.291 -6.355 -2.078 1.00 0.00 H new ATOM 0 HD13 LEU A 258 6.423 -7.488 -0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 258 6.670 -10.028 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 258 5.584 -9.970 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 258 4.935 -10.371 -2.711 1.00 0.00 H new ATOM 361 N VAL A 259 1.919 -9.818 -0.894 1.00 0.00 N ATOM 362 CA VAL A 259 1.489 -11.020 -0.200 1.00 0.00 C ATOM 363 C VAL A 259 0.485 -11.776 -1.071 1.00 0.00 C ATOM 364 O VAL A 259 0.438 -13.004 -1.047 1.00 0.00 O ATOM 365 CB VAL A 259 0.929 -10.655 1.178 1.00 0.00 C ATOM 366 CG1 VAL A 259 0.157 -11.829 1.783 1.00 0.00 C ATOM 367 CG2 VAL A 259 2.045 -10.191 2.117 1.00 0.00 C ATOM 0 H VAL A 259 1.819 -8.956 -0.358 1.00 0.00 H new ATOM 0 HA VAL A 259 2.335 -11.685 -0.028 1.00 0.00 H new ATOM 0 HB VAL A 259 0.233 -9.826 1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 259 -0.230 -11.544 2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 259 -0.672 -12.095 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 259 0.823 -12.685 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 259 1.621 -9.938 3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 259 2.776 -10.991 2.237 1.00 0.00 H new ATOM 0 HG23 VAL A 259 2.534 -9.313 1.695 1.00 0.00 H new ATOM 377 N ILE A 260 -0.294 -11.010 -1.821 1.00 0.00 N ATOM 378 CA ILE A 260 -1.277 -11.593 -2.717 1.00 0.00 C ATOM 379 C ILE A 260 -0.567 -12.481 -3.741 1.00 0.00 C ATOM 380 O ILE A 260 -0.960 -13.627 -3.952 1.00 0.00 O ATOM 381 CB ILE A 260 -2.143 -10.500 -3.347 1.00 0.00 C ATOM 382 CG1 ILE A 260 -3.280 -10.091 -2.408 1.00 0.00 C ATOM 383 CG2 ILE A 260 -2.662 -10.934 -4.720 1.00 0.00 C ATOM 384 CD1 ILE A 260 -4.455 -11.067 -2.511 1.00 0.00 C ATOM 0 H ILE A 260 -0.264 -9.990 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 260 -1.964 -12.233 -2.163 1.00 0.00 H new ATOM 0 HB ILE A 260 -1.520 -9.619 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 260 -2.916 -10.062 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 260 -3.616 -9.084 -2.655 1.00 0.00 H new ATOM 0 HG21 ILE A 260 -3.274 -10.139 -5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 260 -1.819 -11.135 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE A 260 -3.263 -11.837 -4.613 1.00 0.00 H new ATOM 0 HD11 ILE A 260 -5.249 -10.753 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 260 -4.833 -11.075 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 260 -4.121 -12.068 -2.239 1.00 0.00 H new ATOM 396 N VAL A 261 0.466 -11.917 -4.348 1.00 0.00 N ATOM 397 CA VAL A 261 1.144 -12.585 -5.446 1.00 0.00 C ATOM 398 C VAL A 261 1.924 -13.785 -4.906 1.00 0.00 C ATOM 399 O VAL A 261 2.202 -14.732 -5.640 1.00 0.00 O ATOM 400 CB VAL A 261 2.027 -11.587 -6.201 1.00 0.00 C ATOM 401 CG1 VAL A 261 2.979 -12.311 -7.154 1.00 0.00 C ATOM 402 CG2 VAL A 261 1.176 -10.561 -6.951 1.00 0.00 C ATOM 0 H VAL A 261 0.850 -11.005 -4.101 1.00 0.00 H new ATOM 0 HA VAL A 261 0.420 -12.967 -6.165 1.00 0.00 H new ATOM 0 HB VAL A 261 2.630 -11.051 -5.468 1.00 0.00 H new ATOM 0 HG11 VAL A 261 3.595 -11.580 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 261 3.620 -12.985 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 261 2.402 -12.885 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 261 1.827 -9.864 -7.479 1.00 0.00 H new ATOM 0 HG22 VAL A 261 0.536 -11.074 -7.669 1.00 0.00 H new ATOM 0 HG23 VAL A 261 0.557 -10.012 -6.241 1.00 0.00 H new ATOM 412 N GLU A 262 2.256 -13.705 -3.625 1.00 0.00 N ATOM 413 CA GLU A 262 2.973 -14.785 -2.970 1.00 0.00 C ATOM 414 C GLU A 262 2.038 -15.972 -2.726 1.00 0.00 C ATOM 415 O GLU A 262 2.453 -17.125 -2.832 1.00 0.00 O ATOM 416 CB GLU A 262 3.606 -14.309 -1.661 1.00 0.00 C ATOM 417 CG GLU A 262 4.526 -13.111 -1.901 1.00 0.00 C ATOM 418 CD GLU A 262 5.286 -13.260 -3.220 1.00 0.00 C ATOM 419 OE1 GLU A 262 6.237 -14.132 -3.206 1.00 0.00 O ATOM 420 OE2 GLU A 262 4.970 -12.568 -4.200 1.00 0.00 O ATOM 0 H GLU A 262 2.041 -12.909 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 262 3.779 -15.111 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 262 2.824 -14.035 -0.953 1.00 0.00 H new ATOM 0 HB3 GLU A 262 4.173 -15.123 -1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 262 3.938 -12.194 -1.918 1.00 0.00 H new ATOM 0 HG3 GLU A 262 5.234 -13.021 -1.077 1.00 0.00 H new ATOM 428 N LEU A 263 0.794 -15.649 -2.406 1.00 0.00 N ATOM 429 CA LEU A 263 -0.177 -16.669 -2.053 1.00 0.00 C ATOM 430 C LEU A 263 -0.684 -17.348 -3.329 1.00 0.00 C ATOM 431 O LEU A 263 -0.957 -18.547 -3.330 1.00 0.00 O ATOM 432 CB LEU A 263 -1.291 -16.073 -1.189 1.00 0.00 C ATOM 433 CG LEU A 263 -1.777 -16.942 -0.029 1.00 0.00 C ATOM 434 CD1 LEU A 263 -2.685 -16.146 0.911 1.00 0.00 C ATOM 435 CD2 LEU A 263 -2.458 -18.213 -0.542 1.00 0.00 C ATOM 0 H LEU A 263 0.436 -14.694 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 263 0.288 -17.443 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 263 -0.941 -15.124 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 263 -2.143 -15.850 -1.832 1.00 0.00 H new ATOM 0 HG LEU A 263 -0.908 -17.254 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 263 -3.016 -16.788 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 263 -2.134 -15.298 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 263 -3.552 -15.784 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 263 -2.794 -18.813 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 263 -3.315 -17.943 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 263 -1.750 -18.790 -1.137 1.00 0.00 H new ATOM 447 N ILE A 264 -0.795 -16.550 -4.380 1.00 0.00 N ATOM 448 CA ILE A 264 -1.339 -17.041 -5.636 1.00 0.00 C ATOM 449 C ILE A 264 -0.781 -18.437 -5.919 1.00 0.00 C ATOM 450 O ILE A 264 -1.540 -19.387 -6.101 1.00 0.00 O ATOM 451 CB ILE A 264 -1.080 -16.035 -6.759 1.00 0.00 C ATOM 452 CG1 ILE A 264 -2.069 -14.870 -6.691 1.00 0.00 C ATOM 453 CG2 ILE A 264 -1.099 -16.724 -8.126 1.00 0.00 C ATOM 454 CD1 ILE A 264 -3.395 -15.235 -7.362 1.00 0.00 C ATOM 0 H ILE A 264 -0.518 -15.568 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 264 -2.423 -17.140 -5.570 1.00 0.00 H new ATOM 0 HB ILE A 264 -0.082 -15.618 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 264 -2.247 -14.600 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 264 -1.639 -13.995 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 264 -0.912 -15.987 -8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 264 -0.325 -17.491 -8.158 1.00 0.00 H new ATOM 0 HG23 ILE A 264 -2.073 -17.185 -8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 264 -4.080 -14.389 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 264 -3.217 -15.481 -8.409 1.00 0.00 H new ATOM 0 HD13 ILE A 264 -3.834 -16.095 -6.856 1.00 0.00 H new ATOM 466 N PRO A 265 0.576 -18.518 -5.947 1.00 0.00 N ATOM 467 CA PRO A 265 1.248 -19.806 -5.975 1.00 0.00 C ATOM 468 C PRO A 265 1.202 -20.479 -4.602 1.00 0.00 C ATOM 469 O PRO A 265 2.088 -20.270 -3.776 1.00 0.00 O ATOM 470 CB PRO A 265 2.663 -19.500 -6.440 1.00 0.00 C ATOM 471 CG PRO A 265 2.867 -18.012 -6.209 1.00 0.00 C ATOM 472 CD PRO A 265 1.504 -17.390 -5.953 1.00 0.00 C ATOM 0 HA PRO A 265 0.767 -20.517 -6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 265 3.393 -20.085 -5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 265 2.791 -19.753 -7.493 1.00 0.00 H new ATOM 0 HG2 PRO A 265 3.529 -17.845 -5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 265 3.340 -17.552 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 265 1.485 -16.856 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 265 1.246 -16.669 -6.729 1.00 0.00 H new ATOM 480 N SER A 266 0.160 -21.273 -4.403 1.00 0.00 N ATOM 481 CA SER A 266 0.028 -22.040 -3.175 1.00 0.00 C ATOM 482 C SER A 266 -1.052 -23.110 -3.342 1.00 0.00 C ATOM 483 O SER A 266 -0.799 -24.292 -3.111 1.00 0.00 O ATOM 484 CB SER A 266 -0.304 -21.130 -1.990 1.00 0.00 C ATOM 485 OG SER A 266 -0.180 -21.811 -0.744 1.00 0.00 O ATOM 0 H SER A 266 -0.600 -21.402 -5.071 1.00 0.00 H new ATOM 0 HA SER A 266 0.982 -22.525 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 266 0.360 -20.266 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 266 -1.321 -20.751 -2.097 1.00 0.00 H new ATOM 0 HG SER A 266 -0.398 -21.197 -0.012 1.00 0.00 H new ATOM 491 N THR A 267 -2.232 -22.658 -3.739 1.00 0.00 N ATOM 492 CA THR A 267 -3.356 -23.561 -3.925 1.00 0.00 C ATOM 493 C THR A 267 -3.264 -24.253 -5.287 1.00 0.00 C ATOM 494 O THR A 267 -3.639 -25.416 -5.423 1.00 0.00 O ATOM 495 CB THR A 267 -4.644 -22.757 -3.738 1.00 0.00 C ATOM 496 OG1 THR A 267 -4.432 -21.577 -4.507 1.00 0.00 O ATOM 497 CG2 THR A 267 -4.810 -22.244 -2.306 1.00 0.00 C ATOM 0 H THR A 267 -2.435 -21.678 -3.937 1.00 0.00 H new ATOM 0 HA THR A 267 -3.346 -24.363 -3.187 1.00 0.00 H new ATOM 0 HB THR A 267 -5.501 -23.377 -4.004 1.00 0.00 H new ATOM 0 HG1 THR A 267 -3.915 -21.798 -5.310 1.00 0.00 H new ATOM 0 HG21 THR A 267 -5.739 -21.680 -2.227 1.00 0.00 H new ATOM 0 HG22 THR A 267 -4.839 -23.089 -1.618 1.00 0.00 H new ATOM 0 HG23 THR A 267 -3.970 -21.597 -2.052 1.00 0.00 H new HETATM 505 N NH2 A 268 -2.762 -23.507 -6.262 1.00 0.00 N TER 508 NH2 A 268