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 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -44:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 7.162 -9.164 11.721 1.00 0.00 N ATOM 21 CA ALA A 2 6.098 -8.229 12.068 1.00 0.00 C ATOM 22 C ALA A 2 4.725 -8.811 11.741 1.00 0.00 C ATOM 23 O ALA A 2 4.614 -9.769 10.975 1.00 0.00 O ATOM 24 CB ALA A 2 6.299 -6.907 11.341 1.00 0.00 C ATOM 0 HA ALA A 2 6.142 -8.051 13.143 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.498 -6.219 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.258 -6.476 11.628 1.00 0.00 H new ATOM 0 HB3 ALA A 2 6.285 -7.078 10.265 1.00 0.00 H new ATOM 30 N PRO A 3 3.656 -8.236 12.318 1.00 0.00 N ATOM 31 CA PRO A 3 2.286 -8.701 12.083 1.00 0.00 C ATOM 32 C PRO A 3 1.815 -8.420 10.660 1.00 0.00 C ATOM 33 O PRO A 3 2.074 -7.347 10.109 1.00 0.00 O ATOM 34 CB PRO A 3 1.458 -7.899 13.090 1.00 0.00 C ATOM 35 CG PRO A 3 2.259 -6.670 13.348 1.00 0.00 C ATOM 36 CD PRO A 3 3.700 -7.087 13.242 1.00 0.00 C ATOM 0 HA PRO A 3 2.197 -9.781 12.204 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.475 -7.653 12.688 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.295 -8.465 14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.024 -5.891 12.623 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.042 -6.262 14.335 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.324 -6.282 12.853 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.110 -7.367 14.212 1.00 0.00 H new ATOM 44 N ARG A 4 1.119 -9.388 10.068 1.00 0.00 N ATOM 45 CA ARG A 4 0.617 -9.237 8.709 1.00 0.00 C ATOM 46 C ARG A 4 -0.664 -8.428 8.670 1.00 0.00 C ATOM 47 O ARG A 4 -1.268 -8.230 7.616 1.00 0.00 O ATOM 48 CB ARG A 4 0.400 -10.606 8.081 1.00 0.00 C ATOM 49 CG ARG A 4 0.651 -10.641 6.583 1.00 0.00 C ATOM 50 CD ARG A 4 -0.331 -11.561 5.874 1.00 0.00 C ATOM 51 NE ARG A 4 -1.718 -11.224 6.185 1.00 0.00 N ATOM 52 CZ ARG A 4 -2.743 -12.049 5.986 1.00 0.00 C ATOM 53 NH1 ARG A 4 -2.542 -13.259 5.480 1.00 0.00 N ATOM 54 NH2 ARG A 4 -3.974 -11.665 6.298 1.00 0.00 N ATOM 0 H ARG A 4 0.892 -10.280 10.507 1.00 0.00 H new ATOM 0 HA ARG A 4 1.365 -8.691 8.134 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.058 -11.327 8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.623 -10.927 8.276 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.567 -9.634 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.670 -10.978 6.392 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.175 -11.497 4.797 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.135 -12.593 6.164 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.912 -10.303 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.598 -13.561 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.332 -13.887 5.330 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.135 -10.737 6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.760 -12.297 6.145 1.00 0.00 H new ATOM 68 N GLY A 5 -1.049 -7.938 9.844 1.00 0.00 N ATOM 69 CA GLY A 5 -2.238 -7.125 9.967 1.00 0.00 C ATOM 70 C GLY A 5 -2.000 -5.724 9.455 1.00 0.00 C ATOM 71 O GLY A 5 -2.711 -5.240 8.575 1.00 0.00 O ATOM 0 H GLY A 5 -0.550 -8.094 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -3.054 -7.584 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -2.548 -7.085 11.011 1.00 0.00 H new ATOM 75 N PHE A 6 -0.974 -5.085 9.998 1.00 0.00 N ATOM 76 CA PHE A 6 -0.609 -3.738 9.589 1.00 0.00 C ATOM 77 C PHE A 6 0.302 -3.796 8.369 1.00 0.00 C ATOM 78 O PHE A 6 0.278 -2.904 7.520 1.00 0.00 O ATOM 79 CB PHE A 6 0.087 -2.998 10.732 1.00 0.00 C ATOM 80 CG PHE A 6 0.379 -1.555 10.427 1.00 0.00 C ATOM 81 CD1 PHE A 6 -0.530 -0.784 9.719 1.00 0.00 C ATOM 82 CD2 PHE A 6 1.561 -0.970 10.851 1.00 0.00 C ATOM 83 CE1 PHE A 6 -0.263 0.543 9.439 1.00 0.00 C ATOM 84 CE2 PHE A 6 1.832 0.356 10.574 1.00 0.00 C ATOM 85 CZ PHE A 6 0.919 1.114 9.868 1.00 0.00 C ATOM 0 H PHE A 6 -0.378 -5.480 10.725 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.517 -3.194 9.331 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -0.539 -3.053 11.623 1.00 0.00 H new ATOM 0 HB3 PHE A 6 1.022 -3.507 10.967 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -1.457 -1.225 9.383 1.00 0.00 H new ATOM 0 HD2 PHE A 6 2.279 -1.557 11.404 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.978 1.133 8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.758 0.800 10.910 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.129 2.151 9.652 1.00 0.00 H new ATOM 95 N SER A 7 1.099 -4.860 8.282 1.00 0.00 N ATOM 96 CA SER A 7 2.007 -5.038 7.158 1.00 0.00 C ATOM 97 C SER A 7 1.223 -5.228 5.864 1.00 0.00 C ATOM 98 O SER A 7 1.600 -4.707 4.815 1.00 0.00 O ATOM 99 CB SER A 7 2.925 -6.238 7.398 1.00 0.00 C ATOM 100 OG SER A 7 3.499 -6.695 6.185 1.00 0.00 O ATOM 0 H SER A 7 1.132 -5.607 8.975 1.00 0.00 H new ATOM 0 HA SER A 7 2.620 -4.141 7.066 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.715 -5.961 8.096 1.00 0.00 H new ATOM 0 HB3 SER A 7 2.359 -7.045 7.862 1.00 0.00 H new ATOM 0 HG SER A 7 4.082 -7.461 6.367 1.00 0.00 H new ATOM 106 N CYS A 8 0.123 -5.975 5.947 1.00 0.00 N ATOM 107 CA CYS A 8 -0.717 -6.225 4.782 1.00 0.00 C ATOM 108 C CYS A 8 -1.607 -5.022 4.488 1.00 0.00 C ATOM 109 O CYS A 8 -1.803 -4.650 3.331 1.00 0.00 O ATOM 110 CB CYS A 8 -1.580 -7.468 5.006 1.00 0.00 C ATOM 111 SG CYS A 8 -2.643 -7.888 3.605 1.00 0.00 S ATOM 0 H CYS A 8 -0.205 -6.415 6.807 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.066 -6.393 3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.929 -8.315 5.222 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -2.202 -7.312 5.887 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.332 -8.953 3.887 1.00 0.00 H new ATOM 117 N LEU A 9 -2.146 -4.418 5.544 1.00 0.00 N ATOM 118 CA LEU A 9 -3.018 -3.257 5.400 1.00 0.00 C ATOM 119 C LEU A 9 -2.324 -2.142 4.623 1.00 0.00 C ATOM 120 O LEU A 9 -2.937 -1.479 3.788 1.00 0.00 O ATOM 121 CB LEU A 9 -3.449 -2.743 6.775 1.00 0.00 C ATOM 122 CG LEU A 9 -4.704 -3.403 7.349 1.00 0.00 C ATOM 123 CD1 LEU A 9 -4.950 -2.936 8.775 1.00 0.00 C ATOM 124 CD2 LEU A 9 -5.910 -3.104 6.473 1.00 0.00 C ATOM 0 H LEU A 9 -1.994 -4.714 6.508 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.901 -3.567 4.841 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.627 -2.891 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.621 -1.669 6.707 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.549 -4.482 7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.847 -3.417 9.166 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.096 -3.202 9.397 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.084 -1.854 8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.794 -3.581 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.067 -2.026 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.735 -3.490 5.469 1.00 0.00 H new ATOM 136 N LEU A 10 -1.041 -1.939 4.905 1.00 0.00 N ATOM 137 CA LEU A 10 -0.264 -0.903 4.233 1.00 0.00 C ATOM 138 C LEU A 10 0.214 -1.380 2.865 1.00 0.00 C ATOM 139 O LEU A 10 0.403 -0.580 1.950 1.00 0.00 O ATOM 140 CB LEU A 10 0.934 -0.495 5.093 1.00 0.00 C ATOM 141 CG LEU A 10 1.951 -1.607 5.355 1.00 0.00 C ATOM 142 CD1 LEU A 10 2.962 -1.683 4.223 1.00 0.00 C ATOM 143 CD2 LEU A 10 2.653 -1.381 6.686 1.00 0.00 C ATOM 0 H LEU A 10 -0.517 -2.478 5.594 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.910 -0.037 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.445 0.336 4.607 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.566 -0.127 6.051 1.00 0.00 H new ATOM 0 HG LEU A 10 1.419 -2.557 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.677 -2.480 4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.445 -1.891 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.490 -0.733 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.373 -2.181 6.858 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.172 -0.423 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.917 -1.377 7.490 1.00 0.00 H new ATOM 155 N LEU A 11 0.409 -2.690 2.733 1.00 0.00 N ATOM 156 CA LEU A 11 0.865 -3.271 1.475 1.00 0.00 C ATOM 157 C LEU A 11 -0.117 -2.969 0.346 1.00 0.00 C ATOM 158 O LEU A 11 0.279 -2.808 -0.807 1.00 0.00 O ATOM 159 CB LEU A 11 1.046 -4.783 1.623 1.00 0.00 C ATOM 160 CG LEU A 11 2.332 -5.346 1.016 1.00 0.00 C ATOM 161 CD1 LEU A 11 2.450 -4.949 -0.448 1.00 0.00 C ATOM 162 CD2 LEU A 11 3.545 -4.863 1.799 1.00 0.00 C ATOM 0 H LEU A 11 0.258 -3.367 3.481 1.00 0.00 H new ATOM 0 HA LEU A 11 1.825 -2.821 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.023 -5.034 2.684 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.195 -5.282 1.159 1.00 0.00 H new ATOM 0 HG LEU A 11 2.294 -6.434 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.371 -5.358 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.597 -5.341 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.467 -3.862 -0.530 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.452 -5.273 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.587 -3.774 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.466 -5.196 2.834 1.00 0.00 H new ATOM 174 N LEU A 12 -1.399 -2.893 0.689 1.00 0.00 N ATOM 175 CA LEU A 12 -2.437 -2.612 -0.294 1.00 0.00 C ATOM 176 C LEU A 12 -2.320 -1.183 -0.815 1.00 0.00 C ATOM 177 O LEU A 12 -2.671 -0.898 -1.960 1.00 0.00 O ATOM 178 CB LEU A 12 -3.821 -2.834 0.321 1.00 0.00 C ATOM 179 CG LEU A 12 -4.998 -2.506 -0.598 1.00 0.00 C ATOM 180 CD1 LEU A 12 -5.351 -3.706 -1.463 1.00 0.00 C ATOM 181 CD2 LEU A 12 -6.203 -2.063 0.219 1.00 0.00 C ATOM 0 H LEU A 12 -1.743 -3.022 1.641 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.306 -3.295 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.901 -3.876 0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.903 -2.226 1.222 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.705 -1.686 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.191 -3.453 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.491 -3.979 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.625 -4.546 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.032 -1.833 -0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.496 -2.863 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.945 -1.174 0.795 1.00 0.00 H new ATOM 193 N THR A 13 -1.827 -0.287 0.034 1.00 0.00 N ATOM 194 CA THR A 13 -1.665 1.113 -0.340 1.00 0.00 C ATOM 195 C THR A 13 -0.349 1.334 -1.081 1.00 0.00 C ATOM 196 O THR A 13 -0.227 2.258 -1.885 1.00 0.00 O ATOM 197 CB THR A 13 -1.719 2.004 0.903 1.00 0.00 C ATOM 198 OG1 THR A 13 -2.941 1.797 1.622 1.00 0.00 O ATOM 199 CG2 THR A 13 -1.610 3.463 0.515 1.00 0.00 C ATOM 0 H THR A 13 -1.533 -0.506 0.986 1.00 0.00 H new ATOM 0 HA THR A 13 -2.484 1.380 -1.008 1.00 0.00 H new ATOM 0 HB THR A 13 -0.878 1.736 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.956 2.374 2.414 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.650 4.082 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.665 3.633 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.436 3.727 -0.145 1.00 0.00 H new ATOM 207 N SER A 14 0.634 0.484 -0.805 1.00 0.00 N ATOM 208 CA SER A 14 1.939 0.591 -1.446 1.00 0.00 C ATOM 209 C SER A 14 1.874 0.125 -2.899 1.00 0.00 C ATOM 210 O SER A 14 2.479 0.732 -3.782 1.00 0.00 O ATOM 211 CB SER A 14 2.977 -0.231 -0.681 1.00 0.00 C ATOM 212 OG SER A 14 2.790 -1.619 -0.896 1.00 0.00 O ATOM 0 H SER A 14 0.552 -0.287 -0.142 1.00 0.00 H new ATOM 0 HA SER A 14 2.235 1.640 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.979 0.057 -0.999 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.905 -0.012 0.384 1.00 0.00 H new ATOM 0 HG SER A 14 1.836 -1.834 -0.837 1.00 0.00 H new ATOM 218 N GLU A 15 1.139 -0.956 -3.136 1.00 0.00 N ATOM 219 CA GLU A 15 0.997 -1.503 -4.480 1.00 0.00 C ATOM 220 C GLU A 15 0.168 -0.578 -5.364 1.00 0.00 C ATOM 221 O GLU A 15 0.425 -0.452 -6.562 1.00 0.00 O ATOM 222 CB GLU A 15 0.348 -2.888 -4.423 1.00 0.00 C ATOM 223 CG GLU A 15 -0.984 -2.907 -3.692 1.00 0.00 C ATOM 224 CD GLU A 15 -2.161 -3.117 -4.626 1.00 0.00 C ATOM 225 OE1 GLU A 15 -2.665 -2.117 -5.180 1.00 0.00 O ATOM 226 OE2 GLU A 15 -2.577 -4.281 -4.804 1.00 0.00 O ATOM 0 H GLU A 15 0.633 -1.470 -2.415 1.00 0.00 H new ATOM 0 HA GLU A 15 1.993 -1.591 -4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.200 -3.253 -5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.032 -3.580 -3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.972 -3.700 -2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.114 -1.966 -3.157 1.00 0.00 H new ATOM 233 N ILE A 16 -0.827 0.070 -4.767 1.00 0.00 N ATOM 234 CA ILE A 16 -1.695 0.985 -5.500 1.00 0.00 C ATOM 235 C ILE A 16 -1.038 2.351 -5.661 1.00 0.00 C ATOM 236 O ILE A 16 -1.151 2.988 -6.709 1.00 0.00 O ATOM 237 CB ILE A 16 -3.052 1.157 -4.791 1.00 0.00 C ATOM 238 CG1 ILE A 16 -4.029 1.918 -5.688 1.00 0.00 C ATOM 239 CG2 ILE A 16 -2.877 1.872 -3.458 1.00 0.00 C ATOM 240 CD1 ILE A 16 -4.376 1.182 -6.965 1.00 0.00 C ATOM 0 H ILE A 16 -1.053 -0.022 -3.776 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.862 0.548 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.465 0.168 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.945 2.113 -5.130 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.598 2.886 -5.942 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.848 1.983 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.216 1.289 -2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.442 2.857 -3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.073 1.780 -7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.469 1.010 -7.544 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.837 0.225 -6.720 1.00 0.00 H new ATOM 252 N ASP A 17 -0.355 2.793 -4.613 1.00 0.00 N ATOM 253 CA ASP A 17 0.323 4.083 -4.621 1.00 0.00 C ATOM 254 C ASP A 17 1.786 3.934 -5.018 1.00 0.00 C ATOM 255 O ASP A 17 2.635 4.732 -4.619 1.00 0.00 O ATOM 256 CB ASP A 17 0.221 4.727 -3.243 1.00 0.00 C ATOM 257 CG ASP A 17 0.014 6.227 -3.314 1.00 0.00 C ATOM 258 OD1 ASP A 17 -1.153 6.662 -3.397 1.00 0.00 O ATOM 259 OD2 ASP A 17 1.020 6.967 -3.284 1.00 0.00 O ATOM 0 H ASP A 17 -0.256 2.273 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.164 4.721 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.606 4.275 -2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.130 4.516 -2.679 1.00 0.00 H new ATOM 264 N LEU A 18 2.070 2.908 -5.806 1.00 0.00 N ATOM 265 CA LEU A 18 3.430 2.644 -6.263 1.00 0.00 C ATOM 266 C LEU A 18 3.922 3.750 -7.200 1.00 0.00 C ATOM 267 O LEU A 18 4.945 4.382 -6.935 1.00 0.00 O ATOM 268 CB LEU A 18 3.500 1.280 -6.961 1.00 0.00 C ATOM 269 CG LEU A 18 4.803 0.998 -7.714 1.00 0.00 C ATOM 270 CD1 LEU A 18 5.972 0.916 -6.744 1.00 0.00 C ATOM 271 CD2 LEU A 18 4.684 -0.289 -8.518 1.00 0.00 C ATOM 0 H LEU A 18 1.376 2.242 -6.144 1.00 0.00 H new ATOM 0 HA LEU A 18 4.084 2.628 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.355 0.500 -6.214 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.670 1.207 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 18 4.988 1.820 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.890 0.715 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.069 1.862 -6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.796 0.113 -6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.619 -0.475 -9.047 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.476 -1.121 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.872 -0.194 -9.239 1.00 0.00 H new ATOM 283 N PRO A 19 3.206 4.003 -8.313 1.00 0.00 N ATOM 284 CA PRO A 19 3.591 5.041 -9.277 1.00 0.00 C ATOM 285 C PRO A 19 3.578 6.436 -8.661 1.00 0.00 C ATOM 286 O PRO A 19 4.577 7.154 -8.701 1.00 0.00 O ATOM 287 CB PRO A 19 2.532 4.934 -10.379 1.00 0.00 C ATOM 288 CG PRO A 19 1.381 4.230 -9.747 1.00 0.00 C ATOM 289 CD PRO A 19 1.973 3.305 -8.722 1.00 0.00 C ATOM 0 HA PRO A 19 4.609 4.895 -9.638 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.240 5.920 -10.742 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.911 4.378 -11.237 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.697 4.940 -9.283 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.808 3.674 -10.489 1.00 0.00 H new ATOM 0 HD2 PRO A 19 1.298 3.152 -7.880 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.187 2.322 -9.142 1.00 0.00 H new ATOM 297 N VAL A 20 2.438 6.812 -8.093 1.00 0.00 N ATOM 298 CA VAL A 20 2.288 8.121 -7.467 1.00 0.00 C ATOM 299 C VAL A 20 3.304 8.326 -6.345 1.00 0.00 C ATOM 300 O VAL A 20 3.569 9.457 -5.938 1.00 0.00 O ATOM 301 CB VAL A 20 0.869 8.318 -6.899 1.00 0.00 C ATOM 302 CG1 VAL A 20 -0.109 8.664 -8.012 1.00 0.00 C ATOM 303 CG2 VAL A 20 0.414 7.076 -6.147 1.00 0.00 C ATOM 0 H VAL A 20 1.603 6.228 -8.053 1.00 0.00 H new ATOM 0 HA VAL A 20 2.465 8.859 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 20 0.893 9.150 -6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.106 8.799 -7.592 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.207 9.586 -8.501 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.130 7.855 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.590 7.236 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.407 6.222 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.099 6.879 -5.322 1.00 0.00 H new