USER MOD reduce.3.24.130724 H: found=0, std=0, add=243, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 243 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 1 ASP N :NH3+ -152:sc= 0.0791 (180deg=-0.0187) USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= 0.279 (180deg=0.169) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 173:sc= 0.673 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0123 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 15.961 9.281 -2.068 1.00 0.00 N ATOM 2 CA ASP A 1 14.643 9.482 -2.748 1.00 0.00 C ATOM 3 C ASP A 1 13.517 8.816 -1.942 1.00 0.00 C ATOM 4 O ASP A 1 13.743 7.877 -1.199 1.00 0.00 O ATOM 5 CB ASP A 1 14.792 8.823 -4.128 1.00 0.00 C ATOM 6 CG ASP A 1 14.757 7.297 -3.992 1.00 0.00 C ATOM 7 OD1 ASP A 1 15.794 6.723 -3.698 1.00 0.00 O ATOM 8 OD2 ASP A 1 13.694 6.728 -4.182 1.00 0.00 O ATOM 0 H1 ASP A 1 16.598 10.068 -2.305 1.00 0.00 H new ATOM 0 H2 ASP A 1 15.819 9.249 -1.038 1.00 0.00 H new ATOM 0 H3 ASP A 1 16.383 8.386 -2.387 1.00 0.00 H new ATOM 0 HA ASP A 1 14.384 10.537 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 1 13.989 9.155 -4.786 1.00 0.00 H new ATOM 0 HB3 ASP A 1 15.730 9.133 -4.588 1.00 0.00 H new ATOM 15 N GLY A 2 12.306 9.296 -2.087 1.00 0.00 N ATOM 16 CA GLY A 2 11.162 8.696 -1.336 1.00 0.00 C ATOM 17 C GLY A 2 10.364 7.779 -2.266 1.00 0.00 C ATOM 18 O GLY A 2 9.602 8.237 -3.097 1.00 0.00 O ATOM 0 H GLY A 2 12.061 10.078 -2.694 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.532 8.131 -0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 2 10.518 9.483 -0.944 1.00 0.00 H new ATOM 22 N GLU A 3 10.534 6.485 -2.132 1.00 0.00 N ATOM 23 CA GLU A 3 9.786 5.529 -3.008 1.00 0.00 C ATOM 24 C GLU A 3 8.307 5.478 -2.604 1.00 0.00 C ATOM 25 O GLU A 3 7.977 5.323 -1.441 1.00 0.00 O ATOM 26 CB GLU A 3 10.454 4.170 -2.784 1.00 0.00 C ATOM 27 CG GLU A 3 11.654 4.028 -3.723 1.00 0.00 C ATOM 28 CD GLU A 3 12.571 2.912 -3.218 1.00 0.00 C ATOM 29 OE1 GLU A 3 12.301 1.763 -3.528 1.00 0.00 O ATOM 30 OE2 GLU A 3 13.530 3.225 -2.530 1.00 0.00 O ATOM 0 H GLU A 3 11.159 6.050 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 3 9.816 5.827 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 3 10.778 4.079 -1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.739 3.367 -2.967 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.313 3.803 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.203 4.969 -3.773 1.00 0.00 H new ATOM 37 N CYS A 4 7.418 5.607 -3.556 1.00 0.00 N ATOM 38 CA CYS A 4 5.954 5.568 -3.245 1.00 0.00 C ATOM 39 C CYS A 4 5.227 4.671 -4.260 1.00 0.00 C ATOM 40 O CYS A 4 5.734 4.392 -5.330 1.00 0.00 O ATOM 41 CB CYS A 4 5.493 7.034 -3.343 1.00 0.00 C ATOM 42 SG CYS A 4 4.017 7.175 -4.385 1.00 0.00 S ATOM 0 H CYS A 4 7.644 5.739 -4.542 1.00 0.00 H new ATOM 0 HA CYS A 4 5.737 5.151 -2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.279 7.420 -2.346 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.295 7.646 -3.756 1.00 0.00 H new ATOM 47 N GLY A 5 4.044 4.219 -3.924 1.00 0.00 N ATOM 48 CA GLY A 5 3.279 3.341 -4.853 1.00 0.00 C ATOM 49 C GLY A 5 2.204 4.164 -5.569 1.00 0.00 C ATOM 50 O GLY A 5 2.493 5.161 -6.204 1.00 0.00 O ATOM 0 H GLY A 5 3.576 4.423 -3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.953 2.891 -5.582 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.817 2.524 -4.299 1.00 0.00 H new ATOM 54 N GLY A 6 0.965 3.750 -5.471 1.00 0.00 N ATOM 55 CA GLY A 6 -0.141 4.499 -6.139 1.00 0.00 C ATOM 56 C GLY A 6 -1.434 4.318 -5.334 1.00 0.00 C ATOM 57 O GLY A 6 -1.398 4.065 -4.145 1.00 0.00 O ATOM 0 H GLY A 6 0.672 2.921 -4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 6 0.112 5.557 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -0.279 4.135 -7.157 1.00 0.00 H new ATOM 61 N PHE A 7 -2.576 4.445 -5.968 1.00 0.00 N ATOM 62 CA PHE A 7 -3.868 4.281 -5.227 1.00 0.00 C ATOM 63 C PHE A 7 -4.180 2.797 -4.989 1.00 0.00 C ATOM 64 O PHE A 7 -4.716 2.431 -3.964 1.00 0.00 O ATOM 65 CB PHE A 7 -4.940 4.921 -6.115 1.00 0.00 C ATOM 66 CG PHE A 7 -5.997 5.558 -5.241 1.00 0.00 C ATOM 67 CD1 PHE A 7 -6.897 4.755 -4.531 1.00 0.00 C ATOM 68 CD2 PHE A 7 -6.071 6.953 -5.138 1.00 0.00 C ATOM 69 CE1 PHE A 7 -7.872 5.345 -3.717 1.00 0.00 C ATOM 70 CE2 PHE A 7 -7.047 7.543 -4.324 1.00 0.00 C ATOM 71 CZ PHE A 7 -7.947 6.739 -3.615 1.00 0.00 C ATOM 0 H PHE A 7 -2.669 4.654 -6.962 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.824 4.751 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.490 5.670 -6.766 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.391 4.168 -6.761 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.840 3.679 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.377 7.573 -5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -8.565 4.725 -3.168 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -7.105 8.618 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.700 7.195 -2.989 1.00 0.00 H new ATOM 81 N TRP A 8 -3.851 1.948 -5.926 1.00 0.00 N ATOM 82 CA TRP A 8 -4.128 0.492 -5.749 1.00 0.00 C ATOM 83 C TRP A 8 -2.983 -0.333 -6.350 1.00 0.00 C ATOM 84 O TRP A 8 -3.092 -0.876 -7.435 1.00 0.00 O ATOM 85 CB TRP A 8 -5.448 0.245 -6.490 1.00 0.00 C ATOM 86 CG TRP A 8 -5.829 -1.201 -6.389 1.00 0.00 C ATOM 87 CD1 TRP A 8 -6.147 -1.847 -5.241 1.00 0.00 C ATOM 88 CD2 TRP A 8 -5.939 -2.186 -7.455 1.00 0.00 C ATOM 89 NE1 TRP A 8 -6.442 -3.165 -5.539 1.00 0.00 N ATOM 90 CE2 TRP A 8 -6.328 -3.423 -6.890 1.00 0.00 C ATOM 91 CE3 TRP A 8 -5.737 -2.127 -8.847 1.00 0.00 C ATOM 92 CZ2 TRP A 8 -6.512 -4.561 -7.677 1.00 0.00 C ATOM 93 CZ3 TRP A 8 -5.923 -3.270 -9.641 1.00 0.00 C ATOM 94 CH2 TRP A 8 -6.310 -4.484 -9.057 1.00 0.00 C ATOM 0 H TRP A 8 -3.402 2.200 -6.807 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.203 0.200 -4.701 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -6.235 0.868 -6.065 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -5.346 0.531 -7.537 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -6.167 -1.405 -4.256 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -6.711 -3.862 -4.844 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.437 -1.197 -9.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.808 -5.495 -7.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.767 -3.213 -10.708 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -6.452 -5.359 -9.674 1.00 0.00 H new ATOM 105 N TRP A 9 -1.882 -0.422 -5.647 1.00 0.00 N ATOM 106 CA TRP A 9 -0.715 -1.207 -6.159 1.00 0.00 C ATOM 107 C TRP A 9 -0.614 -2.522 -5.382 1.00 0.00 C ATOM 108 O TRP A 9 -1.106 -2.628 -4.279 1.00 0.00 O ATOM 109 CB TRP A 9 0.511 -0.321 -5.901 1.00 0.00 C ATOM 110 CG TRP A 9 0.577 0.784 -6.915 1.00 0.00 C ATOM 111 CD1 TRP A 9 -0.490 1.374 -7.507 1.00 0.00 C ATOM 112 CD2 TRP A 9 1.756 1.448 -7.456 1.00 0.00 C ATOM 113 NE1 TRP A 9 -0.040 2.353 -8.370 1.00 0.00 N ATOM 114 CE2 TRP A 9 1.334 2.440 -8.373 1.00 0.00 C ATOM 115 CE3 TRP A 9 3.138 1.291 -7.242 1.00 0.00 C ATOM 116 CZ2 TRP A 9 2.246 3.246 -9.049 1.00 0.00 C ATOM 117 CZ3 TRP A 9 4.059 2.103 -7.924 1.00 0.00 C ATOM 118 CH2 TRP A 9 3.613 3.079 -8.825 1.00 0.00 C ATOM 0 H TRP A 9 -1.740 0.017 -4.737 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.804 -1.459 -7.216 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.459 0.100 -4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.419 -0.922 -5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -1.525 1.119 -7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.651 2.941 -8.937 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.492 0.542 -6.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.897 3.996 -9.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 5.118 1.974 -7.753 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.326 3.701 -9.345 1.00 0.00 H new ATOM 129 N LYS A 10 0.004 -3.529 -5.940 1.00 0.00 N ATOM 130 CA LYS A 10 0.105 -4.832 -5.209 1.00 0.00 C ATOM 131 C LYS A 10 1.359 -4.880 -4.342 1.00 0.00 C ATOM 132 O LYS A 10 2.450 -4.576 -4.790 1.00 0.00 O ATOM 133 CB LYS A 10 0.183 -5.910 -6.289 1.00 0.00 C ATOM 134 CG LYS A 10 -1.217 -6.469 -6.560 1.00 0.00 C ATOM 135 CD LYS A 10 -1.747 -5.916 -7.887 1.00 0.00 C ATOM 136 CE LYS A 10 -2.998 -5.068 -7.628 1.00 0.00 C ATOM 137 NZ LYS A 10 -2.690 -3.725 -8.197 1.00 0.00 N ATOM 0 H LYS A 10 0.440 -3.510 -6.862 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.748 -4.973 -4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.602 -5.492 -7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.850 -6.711 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.183 -7.558 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.891 -6.198 -5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.980 -5.312 -8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.985 -6.736 -8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.875 -5.505 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.215 -5.003 -6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.567 -3.170 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.019 -3.230 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.269 -3.836 -9.141 1.00 0.00 H new ATOM 151 N CYS A 11 1.211 -5.282 -3.107 1.00 0.00 N ATOM 152 CA CYS A 11 2.391 -5.381 -2.204 1.00 0.00 C ATOM 153 C CYS A 11 2.166 -6.479 -1.156 1.00 0.00 C ATOM 154 O CYS A 11 1.065 -6.975 -0.991 1.00 0.00 O ATOM 155 CB CYS A 11 2.513 -4.004 -1.540 1.00 0.00 C ATOM 156 SG CYS A 11 1.141 -3.735 -0.394 1.00 0.00 S ATOM 0 H CYS A 11 0.321 -5.546 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 11 3.301 -5.644 -2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.461 -3.933 -1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.517 -3.225 -2.302 1.00 0.00 H new ATOM 161 N GLY A 12 3.197 -6.862 -0.442 1.00 0.00 N ATOM 162 CA GLY A 12 3.043 -7.926 0.595 1.00 0.00 C ATOM 163 C GLY A 12 2.476 -7.308 1.876 1.00 0.00 C ATOM 164 O GLY A 12 1.409 -6.722 1.872 1.00 0.00 O ATOM 0 H GLY A 12 4.139 -6.482 -0.534 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.379 -8.710 0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.007 -8.393 0.799 1.00 0.00 H new ATOM 168 N ARG A 13 3.190 -7.424 2.972 1.00 0.00 N ATOM 169 CA ARG A 13 2.701 -6.827 4.254 1.00 0.00 C ATOM 170 C ARG A 13 3.218 -5.387 4.404 1.00 0.00 C ATOM 171 O ARG A 13 3.348 -4.878 5.502 1.00 0.00 O ATOM 172 CB ARG A 13 3.273 -7.725 5.356 1.00 0.00 C ATOM 173 CG ARG A 13 2.406 -7.610 6.617 1.00 0.00 C ATOM 174 CD ARG A 13 3.188 -6.892 7.722 1.00 0.00 C ATOM 175 NE ARG A 13 2.923 -7.682 8.957 1.00 0.00 N ATOM 176 CZ ARG A 13 3.863 -8.438 9.465 1.00 0.00 C ATOM 177 NH1 ARG A 13 4.389 -9.398 8.748 1.00 0.00 N ATOM 178 NH2 ARG A 13 4.275 -8.232 10.689 1.00 0.00 N ATOM 0 H ARG A 13 4.087 -7.905 3.033 1.00 0.00 H new ATOM 0 HA ARG A 13 1.613 -6.776 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.303 -8.760 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.299 -7.434 5.580 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.491 -7.062 6.392 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.108 -8.602 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.254 -6.860 7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.855 -5.860 7.834 1.00 0.00 H new ATOM 0 HE ARG A 13 2.009 -7.634 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.066 -9.557 7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.122 -9.987 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.864 -7.483 11.246 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.007 -8.820 11.086 1.00 0.00 H new ATOM 192 N GLY A 14 3.511 -4.726 3.309 1.00 0.00 N ATOM 193 CA GLY A 14 4.016 -3.326 3.383 1.00 0.00 C ATOM 194 C GLY A 14 5.523 -3.296 3.107 1.00 0.00 C ATOM 195 O GLY A 14 6.240 -2.485 3.662 1.00 0.00 O ATOM 0 H GLY A 14 3.420 -5.101 2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.493 -2.703 2.657 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.810 -2.908 4.369 1.00 0.00 H new ATOM 199 N LYS A 15 6.011 -4.163 2.247 1.00 0.00 N ATOM 200 CA LYS A 15 7.475 -4.161 1.935 1.00 0.00 C ATOM 201 C LYS A 15 7.839 -2.902 1.132 1.00 0.00 C ATOM 202 O LYS A 15 8.710 -2.152 1.534 1.00 0.00 O ATOM 203 CB LYS A 15 7.736 -5.436 1.121 1.00 0.00 C ATOM 204 CG LYS A 15 8.991 -6.136 1.654 1.00 0.00 C ATOM 205 CD LYS A 15 8.672 -6.839 2.978 1.00 0.00 C ATOM 206 CE LYS A 15 9.900 -6.793 3.893 1.00 0.00 C ATOM 207 NZ LYS A 15 9.361 -6.931 5.276 1.00 0.00 N ATOM 0 H LYS A 15 5.462 -4.866 1.752 1.00 0.00 H new ATOM 0 HA LYS A 15 8.086 -4.147 2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.878 -6.105 1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 15 7.865 -5.187 0.068 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.351 -6.861 0.924 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.789 -5.409 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.825 -6.354 3.464 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.383 -7.873 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.596 -7.599 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.445 -5.857 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.146 -6.908 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.707 -6.147 5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.854 -7.835 5.362 1.00 0.00 H new ATOM 221 N PRO A 16 7.147 -2.696 0.032 1.00 0.00 N ATOM 222 CA PRO A 16 7.398 -1.502 -0.809 1.00 0.00 C ATOM 223 C PRO A 16 6.754 -0.267 -0.161 1.00 0.00 C ATOM 224 O PRO A 16 5.609 -0.317 0.250 1.00 0.00 O ATOM 225 CB PRO A 16 6.711 -1.839 -2.129 1.00 0.00 C ATOM 226 CG PRO A 16 5.645 -2.829 -1.775 1.00 0.00 C ATOM 227 CD PRO A 16 6.090 -3.548 -0.525 1.00 0.00 C ATOM 0 HA PRO A 16 8.457 -1.275 -0.936 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.284 -0.948 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.417 -2.260 -2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.693 -2.324 -1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.493 -3.536 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.266 -3.669 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.464 -4.546 -0.753 1.00 0.00 H new ATOM 235 N PRO A 17 7.510 0.801 -0.084 1.00 0.00 N ATOM 236 CA PRO A 17 6.995 2.054 0.529 1.00 0.00 C ATOM 237 C PRO A 17 5.935 2.704 -0.371 1.00 0.00 C ATOM 238 O PRO A 17 6.209 3.076 -1.496 1.00 0.00 O ATOM 239 CB PRO A 17 8.237 2.936 0.640 1.00 0.00 C ATOM 240 CG PRO A 17 9.167 2.423 -0.412 1.00 0.00 C ATOM 241 CD PRO A 17 8.895 0.948 -0.553 1.00 0.00 C ATOM 0 HA PRO A 17 6.508 1.890 1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.993 3.985 0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.684 2.866 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.002 2.938 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.205 2.599 -0.130 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.005 0.618 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 17 9.586 0.355 0.046 1.00 0.00 H new ATOM 249 N CYS A 18 4.730 2.847 0.125 1.00 0.00 N ATOM 250 CA CYS A 18 3.646 3.479 -0.689 1.00 0.00 C ATOM 251 C CYS A 18 3.724 5.010 -0.572 1.00 0.00 C ATOM 252 O CYS A 18 4.595 5.545 0.090 1.00 0.00 O ATOM 253 CB CYS A 18 2.333 2.962 -0.089 1.00 0.00 C ATOM 254 SG CYS A 18 2.145 1.202 -0.463 1.00 0.00 S ATOM 0 H CYS A 18 4.450 2.552 1.061 1.00 0.00 H new ATOM 0 HA CYS A 18 3.731 3.232 -1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.329 3.117 0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.491 3.522 -0.495 1.00 0.00 H new ATOM 259 N CYS A 19 2.824 5.715 -1.210 1.00 0.00 N ATOM 260 CA CYS A 19 2.849 7.210 -1.132 1.00 0.00 C ATOM 261 C CYS A 19 2.325 7.676 0.231 1.00 0.00 C ATOM 262 O CYS A 19 1.714 6.920 0.962 1.00 0.00 O ATOM 263 CB CYS A 19 1.930 7.692 -2.258 1.00 0.00 C ATOM 264 SG CYS A 19 2.904 8.600 -3.484 1.00 0.00 S ATOM 0 H CYS A 19 2.075 5.323 -1.780 1.00 0.00 H new ATOM 0 HA CYS A 19 3.858 7.609 -1.239 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.436 6.842 -2.728 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.146 8.333 -1.853 1.00 0.00 H new ATOM 269 N LYS A 20 2.567 8.917 0.578 1.00 0.00 N ATOM 270 CA LYS A 20 2.092 9.442 1.891 1.00 0.00 C ATOM 271 C LYS A 20 0.563 9.358 1.975 1.00 0.00 C ATOM 272 O LYS A 20 -0.145 9.939 1.173 1.00 0.00 O ATOM 273 CB LYS A 20 2.566 10.899 1.945 1.00 0.00 C ATOM 274 CG LYS A 20 2.847 11.294 3.398 1.00 0.00 C ATOM 275 CD LYS A 20 4.067 10.525 3.915 1.00 0.00 C ATOM 276 CE LYS A 20 4.977 11.472 4.705 1.00 0.00 C ATOM 277 NZ LYS A 20 4.508 11.374 6.117 1.00 0.00 N ATOM 0 H LYS A 20 3.075 9.590 0.004 1.00 0.00 H new ATOM 0 HA LYS A 20 2.484 8.865 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.467 11.022 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.807 11.555 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.026 12.367 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.978 11.076 4.019 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.746 9.699 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.616 10.090 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.023 11.179 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.899 12.494 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.085 11.996 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.511 11.666 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.600 10.392 6.446 1.00 0.00 H new ATOM 291 N GLY A 21 0.054 8.630 2.938 1.00 0.00 N ATOM 292 CA GLY A 21 -1.428 8.490 3.082 1.00 0.00 C ATOM 293 C GLY A 21 -1.894 7.140 2.513 1.00 0.00 C ATOM 294 O GLY A 21 -3.071 6.835 2.517 1.00 0.00 O ATOM 0 H GLY A 21 0.603 8.125 3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.707 8.565 4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.930 9.305 2.560 1.00 0.00 H new ATOM 298 N TYR A 22 -0.983 6.328 2.022 1.00 0.00 N ATOM 299 CA TYR A 22 -1.372 5.001 1.455 1.00 0.00 C ATOM 300 C TYR A 22 -0.825 3.879 2.345 1.00 0.00 C ATOM 301 O TYR A 22 0.327 3.898 2.739 1.00 0.00 O ATOM 302 CB TYR A 22 -0.719 4.945 0.068 1.00 0.00 C ATOM 303 CG TYR A 22 -1.315 6.003 -0.838 1.00 0.00 C ATOM 304 CD1 TYR A 22 -0.992 7.353 -0.653 1.00 0.00 C ATOM 305 CD2 TYR A 22 -2.182 5.628 -1.870 1.00 0.00 C ATOM 306 CE1 TYR A 22 -1.538 8.327 -1.497 1.00 0.00 C ATOM 307 CE2 TYR A 22 -2.728 6.604 -2.714 1.00 0.00 C ATOM 308 CZ TYR A 22 -2.407 7.952 -2.527 1.00 0.00 C ATOM 309 OH TYR A 22 -2.946 8.912 -3.360 1.00 0.00 O ATOM 0 H TYR A 22 0.016 6.532 1.991 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.453 4.877 1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.356 5.098 0.159 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.865 3.958 -0.370 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.321 7.643 0.142 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.430 4.587 -2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.288 9.368 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.398 6.315 -3.510 1.00 0.00 H new ATOM 0 HH TYR A 22 -3.527 8.482 -4.022 1.00 0.00 H new ATOM 319 N ALA A 23 -1.640 2.905 2.666 1.00 0.00 N ATOM 320 CA ALA A 23 -1.167 1.783 3.536 1.00 0.00 C ATOM 321 C ALA A 23 -1.279 0.445 2.795 1.00 0.00 C ATOM 322 O ALA A 23 -2.199 0.226 2.028 1.00 0.00 O ATOM 323 CB ALA A 23 -2.099 1.801 4.750 1.00 0.00 C ATOM 0 H ALA A 23 -2.612 2.838 2.364 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.121 1.899 3.820 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.816 1.004 5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.019 2.763 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.127 1.649 4.422 1.00 0.00 H new ATOM 329 N CYS A 24 -0.351 -0.454 3.028 1.00 0.00 N ATOM 330 CA CYS A 24 -0.402 -1.785 2.345 1.00 0.00 C ATOM 331 C CYS A 24 -1.221 -2.771 3.180 1.00 0.00 C ATOM 332 O CYS A 24 -1.430 -2.574 4.364 1.00 0.00 O ATOM 333 CB CYS A 24 1.051 -2.257 2.242 1.00 0.00 C ATOM 334 SG CYS A 24 1.645 -2.023 0.551 1.00 0.00 S ATOM 0 H CYS A 24 0.438 -0.323 3.661 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.872 -1.718 1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.676 -1.698 2.938 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.123 -3.308 2.522 1.00 0.00 H new ATOM 339 N SER A 25 -1.685 -3.832 2.573 1.00 0.00 N ATOM 340 CA SER A 25 -2.494 -4.831 3.325 1.00 0.00 C ATOM 341 C SER A 25 -2.066 -6.255 2.962 1.00 0.00 C ATOM 342 O SER A 25 -2.058 -6.634 1.808 1.00 0.00 O ATOM 343 CB SER A 25 -3.939 -4.580 2.896 1.00 0.00 C ATOM 344 OG SER A 25 -4.452 -3.462 3.609 1.00 0.00 O ATOM 0 H SER A 25 -1.537 -4.048 1.587 1.00 0.00 H new ATOM 0 HA SER A 25 -2.365 -4.731 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.985 -4.394 1.823 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.548 -5.462 3.093 1.00 0.00 H new ATOM 0 HG SER A 25 -5.339 -3.232 3.263 1.00 0.00 H new ATOM 350 N LYS A 26 -1.723 -7.049 3.946 1.00 0.00 N ATOM 351 CA LYS A 26 -1.315 -8.457 3.667 1.00 0.00 C ATOM 352 C LYS A 26 -2.563 -9.296 3.376 1.00 0.00 C ATOM 353 O LYS A 26 -2.573 -10.122 2.485 1.00 0.00 O ATOM 354 CB LYS A 26 -0.613 -8.942 4.940 1.00 0.00 C ATOM 355 CG LYS A 26 -0.282 -10.433 4.809 1.00 0.00 C ATOM 356 CD LYS A 26 1.076 -10.720 5.454 1.00 0.00 C ATOM 357 CE LYS A 26 0.893 -11.709 6.609 1.00 0.00 C ATOM 358 NZ LYS A 26 2.271 -12.002 7.094 1.00 0.00 N ATOM 0 H LYS A 26 -1.708 -6.781 4.930 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.657 -8.540 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.300 -8.370 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.254 -8.776 5.806 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.057 -11.031 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.264 -10.720 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.763 -11.131 4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.520 -9.794 5.820 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.280 -11.280 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.392 -12.617 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.225 -12.674 7.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.830 -12.416 6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.721 -11.121 7.413 1.00 0.00 H new ATOM 372 N THR A 27 -3.622 -9.069 4.120 1.00 0.00 N ATOM 373 CA THR A 27 -4.890 -9.831 3.890 1.00 0.00 C ATOM 374 C THR A 27 -5.460 -9.478 2.511 1.00 0.00 C ATOM 375 O THR A 27 -5.969 -10.327 1.806 1.00 0.00 O ATOM 376 CB THR A 27 -5.848 -9.382 5.003 1.00 0.00 C ATOM 377 OG1 THR A 27 -5.181 -9.436 6.257 1.00 0.00 O ATOM 378 CG2 THR A 27 -7.064 -10.310 5.036 1.00 0.00 C ATOM 0 H THR A 27 -3.661 -8.387 4.878 1.00 0.00 H new ATOM 0 HA THR A 27 -4.735 -10.910 3.912 1.00 0.00 H new ATOM 0 HB THR A 27 -6.173 -8.360 4.808 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.793 -9.148 6.966 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.744 -9.991 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.579 -10.269 4.076 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.737 -11.332 5.229 1.00 0.00 H new ATOM 386 N TRP A 28 -5.367 -8.229 2.125 1.00 0.00 N ATOM 387 CA TRP A 28 -5.890 -7.809 0.788 1.00 0.00 C ATOM 388 C TRP A 28 -4.857 -8.142 -0.291 1.00 0.00 C ATOM 389 O TRP A 28 -5.184 -8.679 -1.333 1.00 0.00 O ATOM 390 CB TRP A 28 -6.092 -6.290 0.885 1.00 0.00 C ATOM 391 CG TRP A 28 -7.115 -5.960 1.934 1.00 0.00 C ATOM 392 CD1 TRP A 28 -7.796 -6.862 2.681 1.00 0.00 C ATOM 393 CD2 TRP A 28 -7.581 -4.645 2.359 1.00 0.00 C ATOM 394 NE1 TRP A 28 -8.639 -6.187 3.541 1.00 0.00 N ATOM 395 CE2 TRP A 28 -8.549 -4.819 3.379 1.00 0.00 C ATOM 396 CE3 TRP A 28 -7.262 -3.335 1.964 1.00 0.00 C ATOM 397 CZ2 TRP A 28 -9.176 -3.729 3.983 1.00 0.00 C ATOM 398 CZ3 TRP A 28 -7.893 -2.236 2.573 1.00 0.00 C ATOM 399 CH2 TRP A 28 -8.847 -2.434 3.579 1.00 0.00 C ATOM 0 H TRP A 28 -4.951 -7.481 2.679 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.817 -8.319 0.526 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -5.146 -5.806 1.127 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.413 -5.898 -0.080 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -7.696 -7.935 2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.254 -6.644 4.215 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.528 -3.171 1.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.911 -3.886 4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.640 -1.233 2.263 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.328 -1.585 4.042 1.00 0.00 H new ATOM 410 N GLY A 29 -3.609 -7.832 -0.038 1.00 0.00 N ATOM 411 CA GLY A 29 -2.534 -8.128 -1.028 1.00 0.00 C ATOM 412 C GLY A 29 -2.190 -6.877 -1.848 1.00 0.00 C ATOM 413 O GLY A 29 -1.562 -6.974 -2.885 1.00 0.00 O ATOM 0 H GLY A 29 -3.289 -7.383 0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.644 -8.485 -0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.857 -8.928 -1.694 1.00 0.00 H new ATOM 417 N TRP A 30 -2.585 -5.702 -1.404 1.00 0.00 N ATOM 418 CA TRP A 30 -2.255 -4.470 -2.189 1.00 0.00 C ATOM 419 C TRP A 30 -2.130 -3.242 -1.276 1.00 0.00 C ATOM 420 O TRP A 30 -2.275 -3.328 -0.072 1.00 0.00 O ATOM 421 CB TRP A 30 -3.400 -4.309 -3.206 1.00 0.00 C ATOM 422 CG TRP A 30 -4.649 -3.813 -2.541 1.00 0.00 C ATOM 423 CD1 TRP A 30 -4.838 -2.559 -2.068 1.00 0.00 C ATOM 424 CD2 TRP A 30 -5.890 -4.535 -2.290 1.00 0.00 C ATOM 425 NE1 TRP A 30 -6.108 -2.470 -1.533 1.00 0.00 N ATOM 426 CE2 TRP A 30 -6.797 -3.661 -1.647 1.00 0.00 C ATOM 427 CE3 TRP A 30 -6.312 -5.851 -2.551 1.00 0.00 C ATOM 428 CZ2 TRP A 30 -8.075 -4.075 -1.277 1.00 0.00 C ATOM 429 CZ3 TRP A 30 -7.598 -6.273 -2.180 1.00 0.00 C ATOM 430 CH2 TRP A 30 -8.478 -5.386 -1.544 1.00 0.00 C ATOM 0 H TRP A 30 -3.113 -5.547 -0.545 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.291 -4.559 -2.690 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -3.100 -3.612 -3.988 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.598 -5.266 -3.690 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.114 -1.759 -2.103 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -6.491 -1.627 -1.105 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.642 -6.542 -3.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -8.749 -3.388 -0.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -7.911 -7.286 -2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -9.467 -5.716 -1.261 1.00 0.00 H new ATOM 441 N CYS A 31 -1.860 -2.098 -1.857 1.00 0.00 N ATOM 442 CA CYS A 31 -1.714 -0.847 -1.057 1.00 0.00 C ATOM 443 C CYS A 31 -2.719 0.208 -1.526 1.00 0.00 C ATOM 444 O CYS A 31 -2.807 0.516 -2.702 1.00 0.00 O ATOM 445 CB CYS A 31 -0.286 -0.368 -1.326 1.00 0.00 C ATOM 446 SG CYS A 31 0.205 0.818 -0.051 1.00 0.00 S ATOM 0 H CYS A 31 -1.734 -1.979 -2.862 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.900 -1.018 0.003 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.398 -1.216 -1.331 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.226 0.095 -2.311 1.00 0.00 H new ATOM 451 N ALA A 32 -3.469 0.767 -0.609 1.00 0.00 N ATOM 452 CA ALA A 32 -4.469 1.815 -0.980 1.00 0.00 C ATOM 453 C ALA A 32 -4.631 2.820 0.167 1.00 0.00 C ATOM 454 O ALA A 32 -4.207 2.576 1.283 1.00 0.00 O ATOM 455 CB ALA A 32 -5.774 1.054 -1.226 1.00 0.00 C ATOM 0 H ALA A 32 -3.431 0.541 0.385 1.00 0.00 H new ATOM 0 HA ALA A 32 -4.165 2.385 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.559 1.758 -1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.629 0.335 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.065 0.527 -0.317 1.00 0.00 H new ATOM 461 N VAL A 33 -5.241 3.951 -0.097 1.00 0.00 N ATOM 462 CA VAL A 33 -5.430 4.975 0.979 1.00 0.00 C ATOM 463 C VAL A 33 -6.350 4.427 2.074 1.00 0.00 C ATOM 464 O VAL A 33 -7.266 3.670 1.806 1.00 0.00 O ATOM 465 CB VAL A 33 -6.078 6.185 0.293 1.00 0.00 C ATOM 466 CG1 VAL A 33 -6.323 7.292 1.323 1.00 0.00 C ATOM 467 CG2 VAL A 33 -5.149 6.717 -0.801 1.00 0.00 C ATOM 0 H VAL A 33 -5.616 4.209 -1.010 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.486 5.242 1.454 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.026 5.878 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.783 8.150 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.987 6.922 2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.374 7.593 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.613 7.576 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.200 7.019 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.972 5.935 -1.540 1.00 0.00 H new ATOM 477 N GLU A 34 -6.117 4.807 3.305 1.00 0.00 N ATOM 478 CA GLU A 34 -6.980 4.313 4.421 1.00 0.00 C ATOM 479 C GLU A 34 -8.312 5.073 4.430 1.00 0.00 C ATOM 480 O GLU A 34 -8.482 6.039 5.151 1.00 0.00 O ATOM 481 CB GLU A 34 -6.185 4.592 5.702 1.00 0.00 C ATOM 482 CG GLU A 34 -5.329 3.372 6.052 1.00 0.00 C ATOM 483 CD GLU A 34 -5.654 2.908 7.474 1.00 0.00 C ATOM 484 OE1 GLU A 34 -6.600 2.150 7.627 1.00 0.00 O ATOM 485 OE2 GLU A 34 -4.954 3.320 8.385 1.00 0.00 O ATOM 0 H GLU A 34 -5.366 5.438 3.585 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.219 3.254 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.550 5.467 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.866 4.818 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.519 2.566 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.271 3.623 5.973 1.00 0.00 H new ATOM 492 N ALA A 35 -9.256 4.643 3.630 1.00 0.00 N ATOM 493 CA ALA A 35 -10.582 5.335 3.582 1.00 0.00 C ATOM 494 C ALA A 35 -11.322 5.177 4.922 1.00 0.00 C ATOM 495 O ALA A 35 -11.666 6.165 5.544 1.00 0.00 O ATOM 496 CB ALA A 35 -11.356 4.658 2.443 1.00 0.00 C ATOM 0 H ALA A 35 -9.166 3.841 3.007 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.476 6.406 3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.341 5.116 2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.809 4.781 1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.469 3.596 2.661 1.00 0.00 H new ATOM 502 N PRO A 36 -11.540 3.945 5.335 1.00 0.00 N ATOM 503 CA PRO A 36 -12.240 3.692 6.623 1.00 0.00 C ATOM 504 C PRO A 36 -11.331 4.047 7.810 1.00 0.00 C ATOM 505 O PRO A 36 -11.819 4.674 8.734 1.00 0.00 O ATOM 506 CB PRO A 36 -12.535 2.194 6.586 1.00 0.00 C ATOM 507 CG PRO A 36 -11.505 1.620 5.666 1.00 0.00 C ATOM 508 CD PRO A 36 -11.167 2.689 4.662 1.00 0.00 C ATOM 0 HA PRO A 36 -13.141 4.293 6.745 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.466 1.753 7.581 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.543 1.999 6.221 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.617 1.318 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.887 0.729 5.167 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -10.108 2.674 4.405 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.722 2.554 3.734 1.00 0.00 H new TER 516 PRO A 36