USER MOD reduce.3.24.130724 H: found=0, std=0, add=255, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 255 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 Set 1.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 14 SER OG : rot 43:sc= 0.0384 USER MOD Single : A 8 LYS NZ :NH3+ -117:sc= 1.96 (180deg=-0.46) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.483 X(o=-0.48,f=-0.21) USER MOD Single : A 22 HIS : no HE2:sc= 0.531 K(o=0.53,f=-2) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -108:sc= 0.332 USER MOD Single : A 28 GLN : amide:sc= -0.911 X(o=-0.91,f=-0.91) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 2 -43.725 10.485 45.583 1.00 0.00 N ATOM 26 CA LEU A 2 -42.460 9.991 44.942 1.00 0.00 C ATOM 27 C LEU A 2 -41.392 11.004 44.382 1.00 0.00 C ATOM 28 O LEU A 2 -40.223 10.816 44.719 1.00 0.00 O ATOM 29 CB LEU A 2 -42.735 8.782 44.010 1.00 0.00 C ATOM 30 CG LEU A 2 -43.145 8.891 42.517 1.00 0.00 C ATOM 31 CD1 LEU A 2 -41.924 9.039 41.584 1.00 0.00 C ATOM 32 CD2 LEU A 2 -43.862 7.627 42.070 1.00 0.00 C ATOM 0 HA LEU A 2 -41.895 9.672 45.818 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -41.830 8.175 44.030 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -43.519 8.201 44.495 1.00 0.00 H new ATOM 0 HG LEU A 2 -43.783 9.772 42.448 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -42.263 9.111 40.550 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -41.371 9.940 41.849 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -41.275 8.170 41.693 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -44.143 7.720 41.021 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -43.200 6.770 42.194 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -44.758 7.484 42.674 1.00 0.00 H new ATOM 44 N PRO A 3 -41.665 12.029 43.533 1.00 0.00 N ATOM 45 CA PRO A 3 -40.619 12.729 42.733 1.00 0.00 C ATOM 46 C PRO A 3 -39.245 13.317 43.244 1.00 0.00 C ATOM 47 O PRO A 3 -38.284 13.131 42.486 1.00 0.00 O ATOM 48 CB PRO A 3 -41.467 13.602 41.791 1.00 0.00 C ATOM 49 CG PRO A 3 -42.876 13.613 42.388 1.00 0.00 C ATOM 50 CD PRO A 3 -42.925 12.147 42.792 1.00 0.00 C ATOM 0 HA PRO A 3 -39.982 11.946 42.320 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -41.063 14.612 41.724 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -41.474 13.194 40.780 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -42.978 14.294 43.233 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -43.646 13.884 41.665 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -43.792 11.917 43.411 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -42.962 11.481 41.930 1.00 0.00 H new ATOM 58 N PRO A 4 -39.014 13.994 44.411 1.00 0.00 N ATOM 59 CA PRO A 4 -37.678 14.578 44.741 1.00 0.00 C ATOM 60 C PRO A 4 -36.513 13.547 44.928 1.00 0.00 C ATOM 61 O PRO A 4 -36.286 12.971 45.997 1.00 0.00 O ATOM 62 CB PRO A 4 -37.958 15.387 46.008 1.00 0.00 C ATOM 63 CG PRO A 4 -39.195 14.727 46.630 1.00 0.00 C ATOM 64 CD PRO A 4 -40.035 14.256 45.436 1.00 0.00 C ATOM 0 HA PRO A 4 -37.297 15.172 43.910 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -37.109 15.358 46.691 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -38.144 16.435 45.775 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -38.916 13.891 47.271 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -39.749 15.432 47.249 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -40.611 13.361 45.673 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -40.746 15.017 45.115 1.00 0.00 H new ATOM 72 N GLY A 5 -35.800 13.335 43.828 1.00 0.00 N ATOM 73 CA GLY A 5 -34.904 12.174 43.667 1.00 0.00 C ATOM 74 C GLY A 5 -35.579 10.834 43.309 1.00 0.00 C ATOM 75 O GLY A 5 -35.417 9.893 44.090 1.00 0.00 O ATOM 0 H GLY A 5 -35.820 13.956 43.019 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -34.176 12.409 42.890 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -34.348 12.040 44.595 1.00 0.00 H new ATOM 79 N TRP A 6 -36.324 10.707 42.190 1.00 0.00 N ATOM 80 CA TRP A 6 -37.049 9.467 41.858 1.00 0.00 C ATOM 81 C TRP A 6 -36.435 8.664 40.695 1.00 0.00 C ATOM 82 O TRP A 6 -35.696 9.201 39.864 1.00 0.00 O ATOM 83 CB TRP A 6 -38.526 9.844 41.618 1.00 0.00 C ATOM 84 CG TRP A 6 -38.978 10.417 40.244 1.00 0.00 C ATOM 85 CD1 TRP A 6 -38.979 11.760 39.797 1.00 0.00 C ATOM 86 CD2 TRP A 6 -39.632 9.724 39.247 1.00 0.00 C ATOM 87 NE1 TRP A 6 -39.750 11.941 38.636 1.00 0.00 N ATOM 88 CE2 TRP A 6 -40.108 10.660 38.292 1.00 0.00 C ATOM 89 CE3 TRP A 6 -39.878 8.339 39.083 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -40.849 10.224 37.178 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -40.506 7.931 37.906 1.00 0.00 C ATOM 92 CH2 TRP A 6 -41.015 8.853 36.982 1.00 0.00 C ATOM 0 H TRP A 6 -36.438 11.451 41.502 1.00 0.00 H new ATOM 0 HA TRP A 6 -36.967 8.776 42.697 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -39.121 8.951 41.806 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -38.800 10.576 42.378 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -38.446 12.558 40.293 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -39.987 12.813 38.163 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -39.590 7.625 39.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -41.280 10.936 36.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -40.603 6.875 37.701 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -41.542 8.498 36.108 1.00 0.00 H new ATOM 103 N GLU A 7 -36.858 7.391 40.580 1.00 0.00 N ATOM 104 CA GLU A 7 -36.780 6.683 39.292 1.00 0.00 C ATOM 105 C GLU A 7 -37.714 5.407 39.341 1.00 0.00 C ATOM 106 O GLU A 7 -37.712 4.627 40.300 1.00 0.00 O ATOM 107 CB GLU A 7 -35.305 6.323 38.923 1.00 0.00 C ATOM 108 CG GLU A 7 -34.958 6.316 37.411 1.00 0.00 C ATOM 109 CD GLU A 7 -35.520 5.189 36.582 1.00 0.00 C ATOM 110 OE1 GLU A 7 -34.983 4.065 36.650 1.00 0.00 O ATOM 111 OE2 GLU A 7 -36.509 5.409 35.853 1.00 0.00 O ATOM 0 H GLU A 7 -37.249 6.843 41.346 1.00 0.00 H new ATOM 0 HA GLU A 7 -37.136 7.341 38.499 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -34.644 7.032 39.423 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -35.081 5.337 39.330 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -35.302 7.256 36.981 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -33.873 6.299 37.313 1.00 0.00 H new ATOM 118 N LYS A 8 -38.513 5.184 38.294 1.00 0.00 N ATOM 119 CA LYS A 8 -39.153 3.867 37.953 1.00 0.00 C ATOM 120 C LYS A 8 -38.237 2.573 38.035 1.00 0.00 C ATOM 121 O LYS A 8 -37.287 2.396 37.267 1.00 0.00 O ATOM 122 CB LYS A 8 -39.808 4.168 36.568 1.00 0.00 C ATOM 123 CG LYS A 8 -40.467 3.031 35.749 1.00 0.00 C ATOM 124 CD LYS A 8 -39.537 2.214 34.817 1.00 0.00 C ATOM 125 CE LYS A 8 -38.622 3.021 33.854 1.00 0.00 C ATOM 126 NZ LYS A 8 -37.299 3.246 34.535 1.00 0.00 N ATOM 0 H LYS A 8 -38.752 5.920 37.630 1.00 0.00 H new ATOM 0 HA LYS A 8 -39.875 3.553 38.707 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -40.569 4.931 36.731 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -39.039 4.615 35.938 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -40.941 2.340 36.446 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -41.261 3.466 35.141 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -38.902 1.583 35.439 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -40.158 1.548 34.217 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -38.480 2.477 32.920 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -39.085 3.974 33.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -37.149 4.266 34.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -37.298 2.767 35.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -36.535 2.861 33.944 1.00 0.00 H new ATOM 140 N ARG A 9 -38.510 1.657 38.981 1.00 0.00 N ATOM 141 CA ARG A 9 -37.714 0.454 39.253 1.00 0.00 C ATOM 142 C ARG A 9 -38.510 -0.787 38.757 1.00 0.00 C ATOM 143 O ARG A 9 -39.732 -0.881 38.828 1.00 0.00 O ATOM 144 CB ARG A 9 -37.531 0.384 40.798 1.00 0.00 C ATOM 145 CG ARG A 9 -36.556 1.391 41.415 1.00 0.00 C ATOM 146 CD ARG A 9 -35.108 0.931 41.247 1.00 0.00 C ATOM 147 NE ARG A 9 -34.202 2.098 41.366 1.00 0.00 N ATOM 148 CZ ARG A 9 -33.917 2.926 40.343 1.00 0.00 C ATOM 149 NH1 ARG A 9 -34.417 2.788 39.136 1.00 0.00 N ATOM 150 NH2 ARG A 9 -33.125 3.927 40.550 1.00 0.00 N ATOM 0 H ARG A 9 -39.319 1.740 39.596 1.00 0.00 H new ATOM 0 HA ARG A 9 -36.748 0.478 38.749 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -38.506 0.523 41.264 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -37.195 -0.620 41.057 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -36.688 2.365 40.944 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -36.780 1.516 42.474 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -34.861 0.187 42.004 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -34.977 0.453 40.276 1.00 0.00 H new ATOM 0 HE ARG A 9 -33.771 2.284 42.272 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -35.059 2.021 38.934 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -34.164 3.448 38.401 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -32.727 4.079 41.477 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -32.898 4.564 39.787 1.00 0.00 H new ATOM 164 N MET A 10 -37.767 -1.787 38.330 1.00 0.00 N ATOM 165 CA MET A 10 -38.237 -3.192 38.347 1.00 0.00 C ATOM 166 C MET A 10 -38.069 -3.880 39.730 1.00 0.00 C ATOM 167 O MET A 10 -37.052 -3.718 40.417 1.00 0.00 O ATOM 168 CB MET A 10 -37.540 -3.996 37.218 1.00 0.00 C ATOM 169 CG MET A 10 -38.339 -4.006 35.899 1.00 0.00 C ATOM 170 SD MET A 10 -38.776 -5.685 35.399 1.00 0.00 S ATOM 171 CE MET A 10 -40.045 -6.053 36.622 1.00 0.00 C ATOM 0 H MET A 10 -36.824 -1.670 37.960 1.00 0.00 H new ATOM 0 HA MET A 10 -39.311 -3.176 38.162 1.00 0.00 H new ATOM 0 HB2 MET A 10 -36.553 -3.572 37.034 1.00 0.00 H new ATOM 0 HB3 MET A 10 -37.389 -5.023 37.552 1.00 0.00 H new ATOM 0 HG2 MET A 10 -39.246 -3.414 36.018 1.00 0.00 H new ATOM 0 HG3 MET A 10 -37.750 -3.533 35.113 1.00 0.00 H new ATOM 0 HE1 MET A 10 -40.427 -7.061 36.458 1.00 0.00 H new ATOM 0 HE2 MET A 10 -39.617 -5.986 37.622 1.00 0.00 H new ATOM 0 HE3 MET A 10 -40.860 -5.336 36.527 1.00 0.00 H new ATOM 181 N SER A 11 -39.043 -4.736 40.085 1.00 0.00 N ATOM 182 CA SER A 11 -38.819 -5.765 41.149 1.00 0.00 C ATOM 183 C SER A 11 -37.780 -6.838 40.694 1.00 0.00 C ATOM 184 O SER A 11 -38.108 -7.756 39.936 1.00 0.00 O ATOM 185 CB SER A 11 -40.143 -6.419 41.601 1.00 0.00 C ATOM 186 OG SER A 11 -39.929 -7.438 42.581 1.00 0.00 O ATOM 0 H SER A 11 -39.975 -4.748 39.671 1.00 0.00 H new ATOM 0 HA SER A 11 -38.403 -5.249 42.014 1.00 0.00 H new ATOM 0 HB2 SER A 11 -40.804 -5.655 42.011 1.00 0.00 H new ATOM 0 HB3 SER A 11 -40.649 -6.848 40.736 1.00 0.00 H new ATOM 0 HG SER A 11 -40.790 -7.826 42.842 1.00 0.00 H new ATOM 192 N ARG A 12 -36.533 -6.732 41.185 1.00 0.00 N ATOM 193 CA ARG A 12 -35.437 -7.690 40.819 1.00 0.00 C ATOM 194 C ARG A 12 -35.496 -9.128 41.479 1.00 0.00 C ATOM 195 O ARG A 12 -34.527 -9.636 42.051 1.00 0.00 O ATOM 196 CB ARG A 12 -34.081 -6.943 40.976 1.00 0.00 C ATOM 197 CG ARG A 12 -33.645 -6.571 42.423 1.00 0.00 C ATOM 198 CD ARG A 12 -32.191 -6.064 42.562 1.00 0.00 C ATOM 199 NE ARG A 12 -31.156 -7.067 42.152 1.00 0.00 N ATOM 200 CZ ARG A 12 -30.798 -8.150 42.838 1.00 0.00 C ATOM 201 NH1 ARG A 12 -31.306 -8.476 43.992 1.00 0.00 N ATOM 202 NH2 ARG A 12 -29.897 -8.927 42.328 1.00 0.00 N ATOM 0 H ARG A 12 -36.244 -6.001 41.835 1.00 0.00 H new ATOM 0 HA ARG A 12 -35.579 -7.977 39.777 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -33.300 -7.562 40.535 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -34.129 -6.025 40.390 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -34.319 -5.803 42.802 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -33.770 -7.447 43.060 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -32.071 -5.165 41.958 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -32.014 -5.777 43.599 1.00 0.00 H new ATOM 0 HE ARG A 12 -30.681 -6.905 41.264 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -32.021 -7.887 44.419 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -30.989 -9.320 44.469 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -29.482 -8.702 41.424 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -29.602 -9.764 42.830 1.00 0.00 H new ATOM 216 N SER A 13 -36.658 -9.779 41.340 1.00 0.00 N ATOM 217 CA SER A 13 -36.903 -11.200 41.694 1.00 0.00 C ATOM 218 C SER A 13 -38.059 -11.719 40.774 1.00 0.00 C ATOM 219 O SER A 13 -37.777 -12.336 39.746 1.00 0.00 O ATOM 220 CB SER A 13 -37.121 -11.353 43.224 1.00 0.00 C ATOM 221 OG SER A 13 -37.438 -12.706 43.560 1.00 0.00 O ATOM 0 H SER A 13 -37.489 -9.322 40.965 1.00 0.00 H new ATOM 0 HA SER A 13 -36.040 -11.837 41.501 1.00 0.00 H new ATOM 0 HB2 SER A 13 -36.222 -11.043 43.757 1.00 0.00 H new ATOM 0 HB3 SER A 13 -37.927 -10.695 43.548 1.00 0.00 H new ATOM 0 HG SER A 13 -37.570 -12.780 44.528 1.00 0.00 H new ATOM 227 N SER A 14 -39.347 -11.454 41.093 1.00 0.00 N ATOM 228 CA SER A 14 -40.507 -11.927 40.301 1.00 0.00 C ATOM 229 C SER A 14 -41.805 -11.215 40.795 1.00 0.00 C ATOM 230 O SER A 14 -42.338 -11.525 41.865 1.00 0.00 O ATOM 231 CB SER A 14 -40.637 -13.471 40.366 1.00 0.00 C ATOM 232 OG SER A 14 -40.581 -13.989 41.698 1.00 0.00 O ATOM 0 H SER A 14 -39.612 -10.904 41.910 1.00 0.00 H new ATOM 0 HA SER A 14 -40.351 -11.669 39.254 1.00 0.00 H new ATOM 0 HB2 SER A 14 -41.580 -13.769 39.907 1.00 0.00 H new ATOM 0 HB3 SER A 14 -39.839 -13.921 39.775 1.00 0.00 H new ATOM 0 HG SER A 14 -41.125 -13.429 42.290 1.00 0.00 H new ATOM 238 N GLY A 15 -42.330 -10.252 40.020 1.00 0.00 N ATOM 239 CA GLY A 15 -43.662 -9.670 40.314 1.00 0.00 C ATOM 240 C GLY A 15 -44.015 -8.408 39.519 1.00 0.00 C ATOM 241 O GLY A 15 -44.771 -8.475 38.549 1.00 0.00 O ATOM 0 H GLY A 15 -41.868 -9.862 39.199 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -44.422 -10.427 40.119 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -43.711 -9.435 41.377 1.00 0.00 H new ATOM 245 N ARG A 16 -43.548 -7.257 40.010 1.00 0.00 N ATOM 246 CA ARG A 16 -44.024 -5.914 39.577 1.00 0.00 C ATOM 247 C ARG A 16 -42.846 -4.944 39.293 1.00 0.00 C ATOM 248 O ARG A 16 -41.990 -4.688 40.135 1.00 0.00 O ATOM 249 CB ARG A 16 -44.955 -5.281 40.674 1.00 0.00 C ATOM 250 CG ARG A 16 -46.485 -5.443 40.535 1.00 0.00 C ATOM 251 CD ARG A 16 -46.979 -6.885 40.427 1.00 0.00 C ATOM 252 NE ARG A 16 -48.466 -6.909 40.391 1.00 0.00 N ATOM 253 CZ ARG A 16 -49.208 -7.910 39.927 1.00 0.00 C ATOM 254 NH1 ARG A 16 -48.712 -9.004 39.419 1.00 0.00 N ATOM 255 NH2 ARG A 16 -50.496 -7.790 39.979 1.00 0.00 N ATOM 0 H ARG A 16 -42.823 -7.216 40.726 1.00 0.00 H new ATOM 0 HA ARG A 16 -44.582 -6.058 38.652 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -44.665 -5.702 41.636 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -44.738 -4.214 40.715 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -46.964 -4.975 41.395 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -46.813 -4.896 39.651 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -46.577 -7.350 39.527 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -46.618 -7.467 41.275 1.00 0.00 H new ATOM 0 HE ARG A 16 -48.956 -6.091 40.752 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -47.701 -9.127 39.361 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -49.335 -9.737 39.079 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -50.914 -6.945 40.368 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -51.093 -8.541 39.631 1.00 0.00 H new ATOM 269 N VAL A 17 -42.933 -4.227 38.176 1.00 0.00 N ATOM 270 CA VAL A 17 -42.447 -2.812 38.101 1.00 0.00 C ATOM 271 C VAL A 17 -43.117 -1.896 39.183 1.00 0.00 C ATOM 272 O VAL A 17 -44.317 -1.974 39.447 1.00 0.00 O ATOM 273 CB VAL A 17 -42.548 -2.256 36.638 1.00 0.00 C ATOM 274 CG1 VAL A 17 -43.859 -2.591 35.911 1.00 0.00 C ATOM 275 CG2 VAL A 17 -42.337 -0.721 36.512 1.00 0.00 C ATOM 0 H VAL A 17 -43.329 -4.580 37.305 1.00 0.00 H new ATOM 0 HA VAL A 17 -41.386 -2.804 38.351 1.00 0.00 H new ATOM 0 HB VAL A 17 -41.721 -2.781 36.159 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -43.838 -2.166 34.908 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -43.972 -3.673 35.844 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -44.699 -2.172 36.465 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -42.424 -0.426 35.466 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -43.093 -0.200 37.100 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -41.346 -0.458 36.881 1.00 0.00 H new ATOM 285 N TYR A 18 -42.303 -1.060 39.819 1.00 0.00 N ATOM 286 CA TYR A 18 -42.735 -0.106 40.852 1.00 0.00 C ATOM 287 C TYR A 18 -42.034 1.274 40.582 1.00 0.00 C ATOM 288 O TYR A 18 -41.222 1.447 39.664 1.00 0.00 O ATOM 289 CB TYR A 18 -42.508 -0.815 42.223 1.00 0.00 C ATOM 290 CG TYR A 18 -41.070 -0.967 42.732 1.00 0.00 C ATOM 291 CD1 TYR A 18 -40.314 -2.099 42.412 1.00 0.00 C ATOM 292 CD2 TYR A 18 -40.522 0.022 43.549 1.00 0.00 C ATOM 293 CE1 TYR A 18 -39.019 -2.237 42.908 1.00 0.00 C ATOM 294 CE2 TYR A 18 -39.233 -0.120 44.046 1.00 0.00 C ATOM 295 CZ TYR A 18 -38.481 -1.248 43.729 1.00 0.00 C ATOM 296 OH TYR A 18 -37.205 -1.365 44.203 1.00 0.00 O ATOM 0 H TYR A 18 -41.301 -1.021 39.631 1.00 0.00 H new ATOM 0 HA TYR A 18 -43.791 0.162 40.846 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -43.072 -0.267 42.978 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -42.945 -1.811 42.159 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -40.734 -2.867 41.780 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -41.101 0.900 43.795 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -38.433 -3.109 42.657 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -38.813 0.647 44.680 1.00 0.00 H new ATOM 0 HH TYR A 18 -36.990 -0.587 44.759 1.00 0.00 H new ATOM 306 N TYR A 19 -42.397 2.303 41.342 1.00 0.00 N ATOM 307 CA TYR A 19 -41.801 3.665 41.206 1.00 0.00 C ATOM 308 C TYR A 19 -41.260 4.157 42.576 1.00 0.00 C ATOM 309 O TYR A 19 -41.840 3.859 43.623 1.00 0.00 O ATOM 310 CB TYR A 19 -42.849 4.639 40.627 1.00 0.00 C ATOM 311 CG TYR A 19 -43.210 4.557 39.132 1.00 0.00 C ATOM 312 CD1 TYR A 19 -43.843 3.450 38.559 1.00 0.00 C ATOM 313 CD2 TYR A 19 -42.967 5.679 38.341 1.00 0.00 C ATOM 314 CE1 TYR A 19 -44.225 3.466 37.220 1.00 0.00 C ATOM 315 CE2 TYR A 19 -43.328 5.692 36.994 1.00 0.00 C ATOM 316 CZ TYR A 19 -43.967 4.589 36.440 1.00 0.00 C ATOM 317 OH TYR A 19 -44.385 4.624 35.139 1.00 0.00 O ATOM 0 H TYR A 19 -43.107 2.236 42.071 1.00 0.00 H new ATOM 0 HA TYR A 19 -40.959 3.624 40.516 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -43.770 4.504 41.194 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -42.499 5.652 40.824 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -44.038 2.574 39.160 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -42.494 6.547 38.776 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -44.720 2.609 36.788 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -43.112 6.556 36.383 1.00 0.00 H new ATOM 0 HH TYR A 19 -44.127 5.479 34.735 1.00 0.00 H new ATOM 327 N PHE A 20 -40.125 4.879 42.593 1.00 0.00 N ATOM 328 CA PHE A 20 -39.294 4.980 43.827 1.00 0.00 C ATOM 329 C PHE A 20 -38.553 6.328 44.094 1.00 0.00 C ATOM 330 O PHE A 20 -37.651 6.692 43.345 1.00 0.00 O ATOM 331 CB PHE A 20 -38.336 3.746 43.845 1.00 0.00 C ATOM 332 CG PHE A 20 -37.406 3.606 45.067 1.00 0.00 C ATOM 333 CD1 PHE A 20 -37.927 3.422 46.334 1.00 0.00 C ATOM 334 CD2 PHE A 20 -36.039 3.750 44.913 1.00 0.00 C ATOM 335 CE1 PHE A 20 -37.094 3.376 47.446 1.00 0.00 C ATOM 336 CE2 PHE A 20 -35.194 3.724 46.018 1.00 0.00 C ATOM 337 CZ PHE A 20 -35.679 3.502 47.339 1.00 0.00 C ATOM 0 H PHE A 20 -39.760 5.393 41.791 1.00 0.00 H new ATOM 0 HA PHE A 20 -39.986 4.972 44.669 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -38.943 2.843 43.775 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -37.716 3.784 42.949 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -38.994 3.313 46.462 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -35.623 3.884 43.925 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -37.534 3.240 48.423 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -34.135 3.877 45.869 1.00 0.00 H new ATOM 0 HZ PHE A 20 -35.024 3.434 48.195 1.00 0.00 H new ATOM 347 N ASN A 21 -38.840 6.972 45.242 1.00 0.00 N ATOM 348 CA ASN A 21 -38.005 8.061 45.818 1.00 0.00 C ATOM 349 C ASN A 21 -36.733 7.520 46.563 1.00 0.00 C ATOM 350 O ASN A 21 -36.870 6.768 47.532 1.00 0.00 O ATOM 351 CB ASN A 21 -38.917 8.823 46.833 1.00 0.00 C ATOM 352 CG ASN A 21 -38.568 10.256 47.246 1.00 0.00 C ATOM 353 OD1 ASN A 21 -39.443 11.058 47.545 1.00 0.00 O ATOM 354 ND2 ASN A 21 -37.324 10.628 47.354 1.00 0.00 N ATOM 0 H ASN A 21 -39.662 6.755 45.805 1.00 0.00 H new ATOM 0 HA ASN A 21 -37.641 8.702 45.015 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -39.923 8.842 46.415 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -38.961 8.224 47.743 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -37.099 11.568 47.681 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -36.575 9.980 47.112 1.00 0.00 H new ATOM 361 N HIS A 22 -35.518 7.967 46.201 1.00 0.00 N ATOM 362 CA HIS A 22 -34.258 7.510 46.880 1.00 0.00 C ATOM 363 C HIS A 22 -33.967 8.228 48.247 1.00 0.00 C ATOM 364 O HIS A 22 -33.553 7.600 49.218 1.00 0.00 O ATOM 365 CB HIS A 22 -33.017 7.661 45.942 1.00 0.00 C ATOM 366 CG HIS A 22 -33.098 7.222 44.478 1.00 0.00 C ATOM 367 ND1 HIS A 22 -34.021 6.328 43.986 1.00 0.00 N ATOM 368 CD2 HIS A 22 -32.533 7.950 43.420 1.00 0.00 C ATOM 369 CE1 HIS A 22 -34.030 6.706 42.681 1.00 0.00 C ATOM 370 NE2 HIS A 22 -33.116 7.607 42.214 1.00 0.00 N ATOM 0 H HIS A 22 -35.365 8.640 45.450 1.00 0.00 H new ATOM 0 HA HIS A 22 -34.431 6.457 47.103 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -32.734 8.714 45.948 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -32.197 7.108 46.400 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -34.546 5.595 44.462 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -31.747 8.682 43.533 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -34.765 6.291 42.008 1.00 0.00 H new ATOM 378 N ILE A 23 -34.155 9.559 48.281 1.00 0.00 N ATOM 379 CA ILE A 23 -33.732 10.456 49.404 1.00 0.00 C ATOM 380 C ILE A 23 -34.674 10.356 50.663 1.00 0.00 C ATOM 381 O ILE A 23 -34.197 10.298 51.796 1.00 0.00 O ATOM 382 CB ILE A 23 -33.554 11.940 48.882 1.00 0.00 C ATOM 383 CG1 ILE A 23 -32.944 12.097 47.447 1.00 0.00 C ATOM 384 CG2 ILE A 23 -32.730 12.771 49.902 1.00 0.00 C ATOM 385 CD1 ILE A 23 -32.889 13.519 46.865 1.00 0.00 C ATOM 0 H ILE A 23 -34.612 10.064 47.522 1.00 0.00 H new ATOM 0 HA ILE A 23 -32.762 10.108 49.758 1.00 0.00 H new ATOM 0 HB ILE A 23 -34.572 12.320 48.792 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -31.930 11.698 47.464 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -33.520 11.473 46.764 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -32.614 13.790 49.532 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -33.249 12.790 50.860 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -31.747 12.318 50.031 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -32.446 13.488 45.870 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -33.899 13.925 46.800 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -32.283 14.154 47.512 1.00 0.00 H new ATOM 397 N THR A 24 -36.007 10.311 50.472 1.00 0.00 N ATOM 398 CA THR A 24 -36.940 9.703 51.468 1.00 0.00 C ATOM 399 C THR A 24 -36.754 8.161 51.725 1.00 0.00 C ATOM 400 O THR A 24 -36.784 7.742 52.881 1.00 0.00 O ATOM 401 CB THR A 24 -38.393 10.066 51.038 1.00 0.00 C ATOM 402 OG1 THR A 24 -38.590 11.478 51.053 1.00 0.00 O ATOM 403 CG2 THR A 24 -39.509 9.449 51.889 1.00 0.00 C ATOM 0 H THR A 24 -36.470 10.684 49.643 1.00 0.00 H new ATOM 0 HA THR A 24 -36.702 10.128 52.443 1.00 0.00 H new ATOM 0 HB THR A 24 -38.472 9.644 50.036 1.00 0.00 H new ATOM 0 HG1 THR A 24 -39.508 11.683 50.778 1.00 0.00 H new ATOM 0 HG21 THR A 24 -40.478 9.766 51.504 1.00 0.00 H new ATOM 0 HG22 THR A 24 -39.440 8.362 51.847 1.00 0.00 H new ATOM 0 HG23 THR A 24 -39.404 9.780 52.922 1.00 0.00 H new ATOM 411 N ASN A 25 -36.703 7.345 50.653 1.00 0.00 N ATOM 412 CA ASN A 25 -36.943 5.869 50.681 1.00 0.00 C ATOM 413 C ASN A 25 -38.486 5.575 50.710 1.00 0.00 C ATOM 414 O ASN A 25 -39.055 5.249 51.755 1.00 0.00 O ATOM 415 CB ASN A 25 -36.064 5.096 51.708 1.00 0.00 C ATOM 416 CG ASN A 25 -36.037 3.580 51.532 1.00 0.00 C ATOM 417 OD1 ASN A 25 -35.246 3.020 50.787 1.00 0.00 O ATOM 418 ND2 ASN A 25 -36.902 2.859 52.197 1.00 0.00 N ATOM 0 H ASN A 25 -36.490 7.692 49.718 1.00 0.00 H new ATOM 0 HA ASN A 25 -36.579 5.440 49.748 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -35.043 5.471 51.642 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -36.423 5.322 52.712 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -36.910 1.845 52.090 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -37.569 3.311 52.823 1.00 0.00 H new ATOM 425 N ALA A 26 -39.166 5.732 49.558 1.00 0.00 N ATOM 426 CA ALA A 26 -40.631 5.529 49.443 1.00 0.00 C ATOM 427 C ALA A 26 -41.010 4.883 48.077 1.00 0.00 C ATOM 428 O ALA A 26 -40.891 5.515 47.020 1.00 0.00 O ATOM 429 CB ALA A 26 -41.342 6.881 49.663 1.00 0.00 C ATOM 0 H ALA A 26 -38.721 6.002 48.681 1.00 0.00 H new ATOM 0 HA ALA A 26 -40.962 4.830 50.211 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -42.420 6.743 49.580 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -41.100 7.262 50.655 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -41.009 7.594 48.909 1.00 0.00 H new ATOM 435 N SER A 27 -41.480 3.626 48.112 1.00 0.00 N ATOM 436 CA SER A 27 -41.975 2.905 46.913 1.00 0.00 C ATOM 437 C SER A 27 -43.521 3.048 46.706 1.00 0.00 C ATOM 438 O SER A 27 -44.325 2.937 47.636 1.00 0.00 O ATOM 439 CB SER A 27 -41.583 1.413 47.008 1.00 0.00 C ATOM 440 OG SER A 27 -40.169 1.216 47.049 1.00 0.00 O ATOM 0 H SER A 27 -41.530 3.075 48.969 1.00 0.00 H new ATOM 0 HA SER A 27 -41.503 3.363 46.043 1.00 0.00 H new ATOM 0 HB2 SER A 27 -42.032 0.980 47.902 1.00 0.00 H new ATOM 0 HB3 SER A 27 -41.996 0.878 46.153 1.00 0.00 H new ATOM 0 HG SER A 27 -39.867 0.832 46.199 1.00 0.00 H new ATOM 446 N GLN A 28 -43.926 3.249 45.450 1.00 0.00 N ATOM 447 CA GLN A 28 -45.336 3.061 44.991 1.00 0.00 C ATOM 448 C GLN A 28 -45.346 2.313 43.607 1.00 0.00 C ATOM 449 O GLN A 28 -44.420 1.579 43.270 1.00 0.00 O ATOM 450 CB GLN A 28 -46.128 4.412 45.104 1.00 0.00 C ATOM 451 CG GLN A 28 -45.562 5.616 44.322 1.00 0.00 C ATOM 452 CD GLN A 28 -46.507 6.812 44.396 1.00 0.00 C ATOM 453 OE1 GLN A 28 -46.622 7.522 45.396 1.00 0.00 O ATOM 454 NE2 GLN A 28 -47.289 6.970 43.363 1.00 0.00 N ATOM 0 H GLN A 28 -43.295 3.548 44.707 1.00 0.00 H new ATOM 0 HA GLN A 28 -45.900 2.395 45.644 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -47.149 4.237 44.766 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -46.184 4.686 46.157 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -44.589 5.892 44.728 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -45.406 5.336 43.280 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -47.179 6.372 42.544 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -48.010 7.691 43.375 1.00 0.00 H new ATOM 463 N TRP A 29 -46.412 2.443 42.820 1.00 0.00 N ATOM 464 CA TRP A 29 -46.597 1.755 41.509 1.00 0.00 C ATOM 465 C TRP A 29 -46.770 2.711 40.268 1.00 0.00 C ATOM 466 O TRP A 29 -46.693 2.227 39.136 1.00 0.00 O ATOM 467 CB TRP A 29 -47.715 0.692 41.794 1.00 0.00 C ATOM 468 CG TRP A 29 -48.602 0.254 40.628 1.00 0.00 C ATOM 469 CD1 TRP A 29 -49.723 0.990 40.202 1.00 0.00 C ATOM 470 CD2 TRP A 29 -48.410 -0.729 39.678 1.00 0.00 C ATOM 471 NE1 TRP A 29 -50.256 0.480 39.002 1.00 0.00 N ATOM 472 CE2 TRP A 29 -49.409 -0.566 38.684 1.00 0.00 C ATOM 473 CE3 TRP A 29 -47.370 -1.677 39.505 1.00 0.00 C ATOM 474 CZ2 TRP A 29 -49.361 -1.333 37.500 1.00 0.00 C ATOM 475 CZ3 TRP A 29 -47.345 -2.423 38.324 1.00 0.00 C ATOM 476 CH2 TRP A 29 -48.326 -2.257 37.338 1.00 0.00 C ATOM 0 H TRP A 29 -47.200 3.041 43.067 1.00 0.00 H new ATOM 0 HA TRP A 29 -45.696 1.252 41.157 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -47.234 -0.198 42.201 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -48.363 1.090 42.575 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -50.125 1.842 40.730 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -51.075 0.806 38.488 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -46.617 -1.819 40.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -50.111 -1.208 36.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -46.554 -3.142 38.168 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -48.281 -2.853 36.438 1.00 0.00 H new ATOM 487 N GLU A 30 -46.983 4.026 40.451 1.00 0.00 N ATOM 488 CA GLU A 30 -47.447 4.944 39.387 1.00 0.00 C ATOM 489 C GLU A 30 -46.641 6.284 39.344 1.00 0.00 C ATOM 490 O GLU A 30 -46.173 6.806 40.356 1.00 0.00 O ATOM 491 CB GLU A 30 -48.970 5.112 39.650 1.00 0.00 C ATOM 492 CG GLU A 30 -49.758 5.998 38.656 1.00 0.00 C ATOM 493 CD GLU A 30 -51.258 5.912 38.845 1.00 0.00 C ATOM 494 OE1 GLU A 30 -51.797 6.632 39.709 1.00 0.00 O ATOM 495 OE2 GLU A 30 -51.901 5.124 38.123 1.00 0.00 O ATOM 0 H GLU A 30 -46.838 4.489 41.348 1.00 0.00 H new ATOM 0 HA GLU A 30 -47.272 4.544 38.388 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -49.425 4.121 39.656 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -49.098 5.527 40.650 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -49.442 7.035 38.773 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -49.508 5.701 37.637 1.00 0.00 H new ATOM 502 N ARG A 31 -46.510 6.848 38.133 1.00 0.00 N ATOM 503 CA ARG A 31 -45.886 8.181 37.883 1.00 0.00 C ATOM 504 C ARG A 31 -46.592 9.388 38.610 1.00 0.00 C ATOM 505 O ARG A 31 -47.826 9.411 38.603 1.00 0.00 O ATOM 506 CB ARG A 31 -45.931 8.306 36.325 1.00 0.00 C ATOM 507 CG ARG A 31 -45.310 9.568 35.672 1.00 0.00 C ATOM 508 CD ARG A 31 -45.575 9.616 34.152 1.00 0.00 C ATOM 509 NE ARG A 31 -45.388 11.010 33.663 1.00 0.00 N ATOM 510 CZ ARG A 31 -45.961 11.531 32.584 1.00 0.00 C ATOM 511 NH1 ARG A 31 -46.513 10.830 31.640 1.00 0.00 N ATOM 512 NH2 ARG A 31 -45.983 12.812 32.457 1.00 0.00 N ATOM 0 H ARG A 31 -46.836 6.394 37.280 1.00 0.00 H new ATOM 0 HA ARG A 31 -44.879 8.234 38.297 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -45.429 7.434 35.907 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -46.975 8.251 36.017 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -45.723 10.461 36.141 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -44.235 9.580 35.854 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -44.895 8.942 33.631 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -46.588 9.276 33.937 1.00 0.00 H new ATOM 0 HE ARG A 31 -44.768 11.615 34.202 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -46.524 9.812 31.701 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -46.935 11.298 30.838 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -45.566 13.403 33.176 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -46.417 13.236 31.637 1.00 0.00 H new ATOM 526 N PRO A 32 -45.918 10.463 39.135 1.00 0.00 N ATOM 527 CA PRO A 32 -46.645 11.666 39.674 1.00 0.00 C ATOM 528 C PRO A 32 -47.439 12.592 38.661 1.00 0.00 C ATOM 529 O PRO A 32 -47.772 13.737 38.973 1.00 0.00 O ATOM 530 CB PRO A 32 -45.438 12.434 40.263 1.00 0.00 C ATOM 531 CG PRO A 32 -44.267 12.110 39.329 1.00 0.00 C ATOM 532 CD PRO A 32 -44.443 10.619 39.124 1.00 0.00 C ATOM 0 HA PRO A 32 -47.460 11.365 40.333 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -45.631 13.506 40.297 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -45.228 12.116 41.284 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -44.326 12.662 38.391 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -43.304 12.351 39.780 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -44.007 10.285 38.182 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -43.968 10.042 39.918 1.00 0.00 H new ATOM 540 N SER A 33 -47.631 12.146 37.407 1.00 0.00 N ATOM 541 CA SER A 33 -47.731 13.015 36.202 1.00 0.00 C ATOM 542 C SER A 33 -46.430 13.851 35.944 1.00 0.00 C ATOM 543 O SER A 33 -45.528 13.408 35.226 1.00 0.00 O ATOM 544 CB SER A 33 -49.082 13.771 36.110 1.00 0.00 C ATOM 545 OG SER A 33 -50.181 12.859 36.091 1.00 0.00 O ATOM 0 H SER A 33 -47.724 11.154 37.190 1.00 0.00 H new ATOM 0 HA SER A 33 -47.770 12.363 35.329 1.00 0.00 H new ATOM 0 HB2 SER A 33 -49.182 14.448 36.958 1.00 0.00 H new ATOM 0 HB3 SER A 33 -49.099 14.384 35.209 1.00 0.00 H new ATOM 0 HG SER A 33 -51.021 13.360 36.034 1.00 0.00 H new