USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 151 hydrogens (0 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 175:sc= -2.16 USER MOD Single : A 13 THR OG1 : rot -40:sc= 0.962 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 4.649 -7.673 15.583 1.00 0.00 N ATOM 21 CA ALA A 2 4.349 -7.225 14.229 1.00 0.00 C ATOM 22 C ALA A 2 3.101 -7.917 13.685 1.00 0.00 C ATOM 23 O ALA A 2 3.184 -9.006 13.117 1.00 0.00 O ATOM 24 CB ALA A 2 5.537 -7.481 13.313 1.00 0.00 C ATOM 0 HA ALA A 2 4.154 -6.153 14.263 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.299 -7.142 12.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.406 -6.937 13.683 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.758 -8.548 13.294 1.00 0.00 H new ATOM 30 N PRO A 3 1.921 -7.293 13.852 1.00 0.00 N ATOM 31 CA PRO A 3 0.656 -7.860 13.373 1.00 0.00 C ATOM 32 C PRO A 3 0.580 -7.902 11.851 1.00 0.00 C ATOM 33 O PRO A 3 1.100 -7.018 11.165 1.00 0.00 O ATOM 34 CB PRO A 3 -0.402 -6.905 13.935 1.00 0.00 C ATOM 35 CG PRO A 3 0.319 -5.619 14.148 1.00 0.00 C ATOM 36 CD PRO A 3 1.727 -5.992 14.518 1.00 0.00 C ATOM 0 HA PRO A 3 0.528 -8.894 13.694 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -1.233 -6.782 13.240 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -0.820 -7.283 14.868 1.00 0.00 H new ATOM 0 HG2 PRO A 3 0.301 -5.007 13.246 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -0.151 -5.034 14.939 1.00 0.00 H new ATOM 0 HD2 PRO A 3 2.445 -5.250 14.168 1.00 0.00 H new ATOM 0 HD3 PRO A 3 1.851 -6.071 15.598 1.00 0.00 H new ATOM 44 N ARG A 4 -0.074 -8.934 11.322 1.00 0.00 N ATOM 45 CA ARG A 4 -0.215 -9.086 9.881 1.00 0.00 C ATOM 46 C ARG A 4 -1.338 -8.227 9.334 1.00 0.00 C ATOM 47 O ARG A 4 -1.633 -8.237 8.139 1.00 0.00 O ATOM 48 CB ARG A 4 -0.445 -10.550 9.531 1.00 0.00 C ATOM 49 CG ARG A 4 0.137 -10.961 8.187 1.00 0.00 C ATOM 50 CD ARG A 4 1.025 -12.191 8.310 1.00 0.00 C ATOM 51 NE ARG A 4 0.398 -13.378 7.731 1.00 0.00 N ATOM 52 CZ ARG A 4 0.789 -14.624 7.990 1.00 0.00 C ATOM 53 NH1 ARG A 4 1.801 -14.851 8.817 1.00 0.00 N ATOM 54 NH2 ARG A 4 0.165 -15.645 7.420 1.00 0.00 N ATOM 0 H ARG A 4 -0.512 -9.674 11.870 1.00 0.00 H new ATOM 0 HA ARG A 4 0.711 -8.748 9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.008 -11.173 10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -1.517 -10.749 9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.673 -11.166 7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.715 -10.135 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.976 -12.003 7.811 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.247 -12.374 9.361 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.385 -13.244 7.091 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.284 -14.069 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 4 2.096 -15.808 9.011 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.614 -15.476 6.784 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.464 -16.600 7.618 1.00 0.00 H new ATOM 68 N GLY A 5 -1.941 -7.458 10.237 1.00 0.00 N ATOM 69 CA GLY A 5 -3.015 -6.564 9.871 1.00 0.00 C ATOM 70 C GLY A 5 -2.483 -5.302 9.234 1.00 0.00 C ATOM 71 O GLY A 5 -2.956 -4.874 8.181 1.00 0.00 O ATOM 0 H GLY A 5 -1.697 -7.442 11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.690 -7.067 9.179 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.598 -6.310 10.756 1.00 0.00 H new ATOM 75 N PHE A 6 -1.473 -4.724 9.871 1.00 0.00 N ATOM 76 CA PHE A 6 -0.839 -3.518 9.364 1.00 0.00 C ATOM 77 C PHE A 6 0.248 -3.890 8.364 1.00 0.00 C ATOM 78 O PHE A 6 0.503 -3.160 7.406 1.00 0.00 O ATOM 79 CB PHE A 6 -0.244 -2.701 10.513 1.00 0.00 C ATOM 80 CG PHE A 6 0.350 -1.392 10.075 1.00 0.00 C ATOM 81 CD1 PHE A 6 -0.335 -0.566 9.198 1.00 0.00 C ATOM 82 CD2 PHE A 6 1.592 -0.991 10.538 1.00 0.00 C ATOM 83 CE1 PHE A 6 0.207 0.639 8.793 1.00 0.00 C ATOM 84 CE2 PHE A 6 2.140 0.214 10.136 1.00 0.00 C ATOM 85 CZ PHE A 6 1.447 1.029 9.262 1.00 0.00 C ATOM 0 H PHE A 6 -1.075 -5.074 10.743 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.591 -2.908 8.864 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.022 -2.508 11.252 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.526 -3.293 11.008 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.303 -0.867 8.827 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.138 -1.626 11.220 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.338 1.275 8.111 1.00 0.00 H new ATOM 0 HE2 PHE A 6 3.109 0.517 10.505 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.874 1.969 8.946 1.00 0.00 H new ATOM 95 N SER A 7 0.879 -5.041 8.592 1.00 0.00 N ATOM 96 CA SER A 7 1.931 -5.521 7.708 1.00 0.00 C ATOM 97 C SER A 7 1.371 -5.814 6.319 1.00 0.00 C ATOM 98 O SER A 7 2.001 -5.503 5.308 1.00 0.00 O ATOM 99 CB SER A 7 2.580 -6.780 8.286 1.00 0.00 C ATOM 100 OG SER A 7 3.739 -7.139 7.554 1.00 0.00 O ATOM 0 H SER A 7 0.678 -5.655 9.381 1.00 0.00 H new ATOM 0 HA SER A 7 2.688 -4.741 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.844 -6.610 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.865 -7.603 8.267 1.00 0.00 H new ATOM 0 HG SER A 7 4.136 -7.946 7.944 1.00 0.00 H new ATOM 106 N CYS A 8 0.183 -6.413 6.276 1.00 0.00 N ATOM 107 CA CYS A 8 -0.459 -6.742 5.008 1.00 0.00 C ATOM 108 C CYS A 8 -1.215 -5.539 4.451 1.00 0.00 C ATOM 109 O CYS A 8 -1.319 -5.368 3.237 1.00 0.00 O ATOM 110 CB CYS A 8 -1.418 -7.919 5.187 1.00 0.00 C ATOM 111 SG CYS A 8 -0.596 -9.509 5.440 1.00 0.00 S ATOM 0 H CYS A 8 -0.352 -6.679 7.102 1.00 0.00 H new ATOM 0 HA CYS A 8 0.320 -7.020 4.299 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -2.067 -7.718 6.039 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.058 -7.989 4.308 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.486 -10.423 5.689 1.00 0.00 H new ATOM 117 N LEU A 9 -1.741 -4.711 5.347 1.00 0.00 N ATOM 118 CA LEU A 9 -2.490 -3.526 4.945 1.00 0.00 C ATOM 119 C LEU A 9 -1.600 -2.543 4.191 1.00 0.00 C ATOM 120 O LEU A 9 -1.971 -2.045 3.128 1.00 0.00 O ATOM 121 CB LEU A 9 -3.101 -2.844 6.171 1.00 0.00 C ATOM 122 CG LEU A 9 -4.508 -3.315 6.541 1.00 0.00 C ATOM 123 CD1 LEU A 9 -4.914 -2.769 7.901 1.00 0.00 C ATOM 124 CD2 LEU A 9 -5.508 -2.892 5.476 1.00 0.00 C ATOM 0 H LEU A 9 -1.663 -4.838 6.356 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.290 -3.844 4.277 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.443 -3.009 7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.129 -1.769 5.993 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.503 -4.404 6.596 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.918 -3.115 8.147 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.213 -3.121 8.658 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.902 -1.679 7.874 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.504 -3.235 5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.510 -1.805 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.228 -3.332 4.519 1.00 0.00 H new ATOM 136 N LEU A 10 -0.426 -2.264 4.748 1.00 0.00 N ATOM 137 CA LEU A 10 0.516 -1.337 4.128 1.00 0.00 C ATOM 138 C LEU A 10 0.867 -1.780 2.711 1.00 0.00 C ATOM 139 O LEU A 10 1.103 -0.952 1.831 1.00 0.00 O ATOM 140 CB LEU A 10 1.788 -1.226 4.973 1.00 0.00 C ATOM 141 CG LEU A 10 2.683 -2.466 4.963 1.00 0.00 C ATOM 142 CD1 LEU A 10 3.723 -2.366 3.857 1.00 0.00 C ATOM 143 CD2 LEU A 10 3.357 -2.647 6.315 1.00 0.00 C ATOM 0 H LEU A 10 -0.103 -2.666 5.628 1.00 0.00 H new ATOM 0 HA LEU A 10 0.039 -0.358 4.073 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.369 -0.375 4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.504 -1.010 6.003 1.00 0.00 H new ATOM 0 HG LEU A 10 2.059 -3.339 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.350 -3.257 3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.222 -2.285 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.343 -1.484 4.019 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.990 -3.534 6.290 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.967 -1.772 6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.597 -2.765 7.087 1.00 0.00 H new ATOM 155 N LEU A 11 0.898 -3.091 2.496 1.00 0.00 N ATOM 156 CA LEU A 11 1.218 -3.644 1.185 1.00 0.00 C ATOM 157 C LEU A 11 0.180 -3.224 0.149 1.00 0.00 C ATOM 158 O LEU A 11 0.509 -2.991 -1.015 1.00 0.00 O ATOM 159 CB LEU A 11 1.300 -5.171 1.258 1.00 0.00 C ATOM 160 CG LEU A 11 2.711 -5.737 1.429 1.00 0.00 C ATOM 161 CD1 LEU A 11 3.400 -5.101 2.626 1.00 0.00 C ATOM 162 CD2 LEU A 11 2.661 -7.250 1.579 1.00 0.00 C ATOM 0 H LEU A 11 0.705 -3.790 3.213 1.00 0.00 H new ATOM 0 HA LEU A 11 2.187 -3.251 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.685 -5.513 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.866 -5.587 0.349 1.00 0.00 H new ATOM 0 HG LEU A 11 3.290 -5.499 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.402 -5.516 2.732 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.467 -4.023 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.825 -5.307 3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.673 -7.637 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.066 -7.509 2.455 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.208 -7.689 0.690 1.00 0.00 H new ATOM 174 N LEU A 12 -1.074 -3.130 0.579 1.00 0.00 N ATOM 175 CA LEU A 12 -2.159 -2.739 -0.311 1.00 0.00 C ATOM 176 C LEU A 12 -2.061 -1.262 -0.672 1.00 0.00 C ATOM 177 O LEU A 12 -2.437 -0.854 -1.771 1.00 0.00 O ATOM 178 CB LEU A 12 -3.512 -3.029 0.346 1.00 0.00 C ATOM 179 CG LEU A 12 -4.732 -2.600 -0.470 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.158 -3.711 -1.417 1.00 0.00 C ATOM 181 CD2 LEU A 12 -5.879 -2.215 0.452 1.00 0.00 C ATOM 0 H LEU A 12 -1.363 -3.319 1.539 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.074 -3.323 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.582 -4.099 0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.545 -2.526 1.312 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.460 -1.728 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.028 -3.388 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.340 -3.941 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.413 -4.601 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.739 -1.912 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.150 -3.070 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.571 -1.387 1.090 1.00 0.00 H new ATOM 193 N THR A 13 -1.553 -0.461 0.261 1.00 0.00 N ATOM 194 CA THR A 13 -1.405 0.972 0.040 1.00 0.00 C ATOM 195 C THR A 13 0.022 1.315 -0.380 1.00 0.00 C ATOM 196 O THR A 13 0.513 2.410 -0.107 1.00 0.00 O ATOM 197 CB THR A 13 -1.777 1.744 1.307 1.00 0.00 C ATOM 198 OG1 THR A 13 -1.757 3.156 1.064 1.00 0.00 O ATOM 199 CG2 THR A 13 -0.814 1.418 2.428 1.00 0.00 C ATOM 0 H THR A 13 -1.237 -0.781 1.177 1.00 0.00 H new ATOM 0 HA THR A 13 -2.079 1.262 -0.766 1.00 0.00 H new ATOM 0 HB THR A 13 -2.784 1.445 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.989 3.380 0.497 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.094 1.976 3.322 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.852 0.350 2.641 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.198 1.693 2.130 1.00 0.00 H new ATOM 207 N SER A 14 0.682 0.371 -1.045 1.00 0.00 N ATOM 208 CA SER A 14 2.051 0.574 -1.502 1.00 0.00 C ATOM 209 C SER A 14 2.196 0.181 -2.969 1.00 0.00 C ATOM 210 O SER A 14 2.788 0.914 -3.761 1.00 0.00 O ATOM 211 CB SER A 14 3.023 -0.239 -0.645 1.00 0.00 C ATOM 212 OG SER A 14 4.348 0.244 -0.779 1.00 0.00 O ATOM 0 H SER A 14 0.290 -0.541 -1.279 1.00 0.00 H new ATOM 0 HA SER A 14 2.289 1.633 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.719 -0.190 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.983 -1.288 -0.940 1.00 0.00 H new ATOM 0 HG SER A 14 4.949 -0.291 -0.220 1.00 0.00 H new ATOM 218 N GLU A 15 1.652 -0.978 -3.322 1.00 0.00 N ATOM 219 CA GLU A 15 1.721 -1.468 -4.693 1.00 0.00 C ATOM 220 C GLU A 15 0.802 -0.660 -5.605 1.00 0.00 C ATOM 221 O GLU A 15 1.091 -0.477 -6.788 1.00 0.00 O ATOM 222 CB GLU A 15 1.340 -2.949 -4.748 1.00 0.00 C ATOM 223 CG GLU A 15 0.020 -3.263 -4.063 1.00 0.00 C ATOM 224 CD GLU A 15 -0.863 -4.180 -4.890 1.00 0.00 C ATOM 225 OE1 GLU A 15 -0.892 -4.017 -6.128 1.00 0.00 O ATOM 226 OE2 GLU A 15 -1.524 -5.058 -4.298 1.00 0.00 O ATOM 0 H GLU A 15 1.158 -1.596 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 15 2.746 -1.351 -5.043 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.282 -3.262 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.131 -3.537 -4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.218 -3.729 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.513 -2.333 -3.865 1.00 0.00 H new ATOM 233 N ILE A 16 -0.303 -0.178 -5.046 1.00 0.00 N ATOM 234 CA ILE A 16 -1.262 0.612 -5.808 1.00 0.00 C ATOM 235 C ILE A 16 -1.175 2.095 -5.449 1.00 0.00 C ATOM 236 O ILE A 16 -2.043 2.883 -5.825 1.00 0.00 O ATOM 237 CB ILE A 16 -2.704 0.123 -5.573 1.00 0.00 C ATOM 238 CG1 ILE A 16 -2.781 -1.398 -5.709 1.00 0.00 C ATOM 239 CG2 ILE A 16 -3.658 0.797 -6.548 1.00 0.00 C ATOM 240 CD1 ILE A 16 -4.065 -1.989 -5.168 1.00 0.00 C ATOM 0 H ILE A 16 -0.556 -0.321 -4.068 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.007 0.484 -6.860 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.001 0.392 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.682 -1.666 -6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.936 -1.845 -5.185 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.673 0.441 -6.369 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.622 1.877 -6.405 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.364 0.557 -7.570 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.050 -3.071 -5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.157 -1.752 -4.108 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.914 -1.570 -5.708 1.00 0.00 H new ATOM 252 N ASP A 17 -0.125 2.470 -4.723 1.00 0.00 N ATOM 253 CA ASP A 17 0.066 3.858 -4.320 1.00 0.00 C ATOM 254 C ASP A 17 1.123 4.532 -5.182 1.00 0.00 C ATOM 255 O ASP A 17 1.778 5.485 -4.756 1.00 0.00 O ATOM 256 CB ASP A 17 0.473 3.921 -2.852 1.00 0.00 C ATOM 257 CG ASP A 17 -0.123 5.117 -2.135 1.00 0.00 C ATOM 258 OD1 ASP A 17 -0.076 6.231 -2.697 1.00 0.00 O ATOM 259 OD2 ASP A 17 -0.637 4.939 -1.009 1.00 0.00 O ATOM 0 H ASP A 17 0.604 1.833 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.876 4.389 -4.456 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.156 3.006 -2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.560 3.963 -2.781 1.00 0.00 H new ATOM 264 N LEU A 18 1.278 4.031 -6.397 1.00 0.00 N ATOM 265 CA LEU A 18 2.252 4.577 -7.335 1.00 0.00 C ATOM 266 C LEU A 18 1.703 5.813 -8.048 1.00 0.00 C ATOM 267 O LEU A 18 2.383 6.837 -8.135 1.00 0.00 O ATOM 268 CB LEU A 18 2.661 3.517 -8.363 1.00 0.00 C ATOM 269 CG LEU A 18 2.841 2.104 -7.806 1.00 0.00 C ATOM 270 CD1 LEU A 18 2.550 1.067 -8.879 1.00 0.00 C ATOM 271 CD2 LEU A 18 4.248 1.925 -7.255 1.00 0.00 C ATOM 0 H LEU A 18 0.740 3.244 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 18 3.131 4.875 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.907 3.487 -9.149 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.596 3.828 -8.829 1.00 0.00 H new ATOM 0 HG LEU A 18 2.132 1.961 -6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.683 0.068 -8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.523 1.182 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.235 1.207 -9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.359 0.914 -6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.974 2.087 -8.052 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.420 2.646 -6.455 1.00 0.00 H new ATOM 283 N PRO A 19 0.463 5.744 -8.572 1.00 0.00 N ATOM 284 CA PRO A 19 -0.153 6.870 -9.273 1.00 0.00 C ATOM 285 C PRO A 19 -0.733 7.905 -8.316 1.00 0.00 C ATOM 286 O PRO A 19 -0.444 9.097 -8.425 1.00 0.00 O ATOM 287 CB PRO A 19 -1.263 6.209 -10.085 1.00 0.00 C ATOM 288 CG PRO A 19 -1.649 4.996 -9.306 1.00 0.00 C ATOM 289 CD PRO A 19 -0.431 4.569 -8.524 1.00 0.00 C ATOM 0 HA PRO A 19 0.568 7.421 -9.877 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.111 6.881 -10.213 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.915 5.942 -11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.480 5.216 -8.636 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.979 4.199 -9.972 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.689 4.307 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.040 3.692 -8.968 1.00 0.00 H new ATOM 297 N VAL A 20 -1.553 7.440 -7.382 1.00 0.00 N ATOM 298 CA VAL A 20 -2.179 8.322 -6.402 1.00 0.00 C ATOM 299 C VAL A 20 -3.195 9.246 -7.063 1.00 0.00 C ATOM 300 O VAL A 20 -3.433 10.359 -6.593 1.00 0.00 O ATOM 301 CB VAL A 20 -1.132 9.175 -5.658 1.00 0.00 C ATOM 302 CG1 VAL A 20 -1.766 9.886 -4.473 1.00 0.00 C ATOM 303 CG2 VAL A 20 0.038 8.313 -5.208 1.00 0.00 C ATOM 0 H VAL A 20 -1.801 6.456 -7.281 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.689 7.681 -5.683 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.753 9.931 -6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.011 10.483 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.566 10.537 -4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.175 9.148 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.766 8.933 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.322 7.532 -4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.509 7.856 -6.078 1.00 0.00 H new