USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 416 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= -2.35! (180deg=-6.11!) USER MOD Single : A 17 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.8!) USER MOD Single : A 30 THR OG1 : rot -15:sc= -2.71! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 38 TYR OH : rot 33:sc= -0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 38.885 21.783 12.101 1.00 0.00 N ATOM 2 CA MET A 1 38.111 21.339 10.907 1.00 0.00 C ATOM 3 C MET A 1 38.853 20.188 10.219 1.00 0.00 C ATOM 4 O MET A 1 39.123 20.235 9.036 1.00 0.00 O ATOM 5 CB MET A 1 37.962 22.514 9.937 1.00 0.00 C ATOM 6 CG MET A 1 36.944 23.510 10.500 1.00 0.00 C ATOM 7 SD MET A 1 35.272 22.858 10.266 1.00 0.00 S ATOM 8 CE MET A 1 34.953 23.621 8.658 1.00 0.00 C ATOM 0 H1 MET A 1 38.401 21.467 12.966 1.00 0.00 H new ATOM 0 H2 MET A 1 39.839 21.371 12.069 1.00 0.00 H new ATOM 0 H3 MET A 1 38.955 22.821 12.103 1.00 0.00 H new ATOM 0 HA MET A 1 37.123 20.996 11.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 38.925 23.004 9.791 1.00 0.00 H new ATOM 0 HB3 MET A 1 37.635 22.155 8.961 1.00 0.00 H new ATOM 0 HG2 MET A 1 37.134 23.682 11.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 37.044 24.472 9.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.955 23.346 8.317 1.00 0.00 H new ATOM 0 HE2 MET A 1 35.020 24.705 8.750 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.692 23.272 7.937 1.00 0.00 H new ATOM 20 N PRO A 2 39.181 19.162 10.963 1.00 0.00 N ATOM 21 CA PRO A 2 39.908 17.972 10.427 1.00 0.00 C ATOM 22 C PRO A 2 39.091 17.209 9.372 1.00 0.00 C ATOM 23 O PRO A 2 37.877 17.158 9.416 1.00 0.00 O ATOM 24 CB PRO A 2 40.174 17.101 11.671 1.00 0.00 C ATOM 25 CG PRO A 2 39.170 17.548 12.690 1.00 0.00 C ATOM 26 CD PRO A 2 38.894 19.026 12.400 1.00 0.00 C ATOM 0 HA PRO A 2 40.823 18.259 9.908 1.00 0.00 H new ATOM 0 HB2 PRO A 2 40.057 16.042 11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 2 41.192 17.237 12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 2 38.255 16.960 12.618 1.00 0.00 H new ATOM 0 HG3 PRO A 2 39.556 17.415 13.701 1.00 0.00 H new ATOM 0 HD2 PRO A 2 37.862 19.293 12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 2 39.531 19.677 12.998 1.00 0.00 H new ATOM 34 N LEU A 3 39.761 16.624 8.421 1.00 0.00 N ATOM 35 CA LEU A 3 39.048 15.871 7.353 1.00 0.00 C ATOM 36 C LEU A 3 38.543 14.533 7.898 1.00 0.00 C ATOM 37 O LEU A 3 39.160 13.912 8.742 1.00 0.00 O ATOM 38 CB LEU A 3 40.005 15.625 6.188 1.00 0.00 C ATOM 39 CG LEU A 3 40.598 16.962 5.727 1.00 0.00 C ATOM 40 CD1 LEU A 3 41.571 16.714 4.571 1.00 0.00 C ATOM 41 CD2 LEU A 3 39.475 17.909 5.267 1.00 0.00 C ATOM 0 H LEU A 3 40.777 16.635 8.337 1.00 0.00 H new ATOM 0 HA LEU A 3 38.193 16.454 7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 3 40.802 14.947 6.494 1.00 0.00 H new ATOM 0 HB3 LEU A 3 39.477 15.145 5.364 1.00 0.00 H new ATOM 0 HG LEU A 3 41.129 17.424 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 3 41.994 17.663 4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 3 42.373 16.056 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 3 41.040 16.246 3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 3 39.907 18.855 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 3 38.932 17.454 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 3 38.789 18.089 6.095 1.00 0.00 H new ATOM 53 N GLU A 4 37.417 14.096 7.413 1.00 0.00 N ATOM 54 CA GLU A 4 36.841 12.805 7.882 1.00 0.00 C ATOM 55 C GLU A 4 37.747 11.640 7.472 1.00 0.00 C ATOM 56 O GLU A 4 38.282 11.605 6.382 1.00 0.00 O ATOM 57 CB GLU A 4 35.455 12.624 7.260 1.00 0.00 C ATOM 58 CG GLU A 4 35.563 12.668 5.733 1.00 0.00 C ATOM 59 CD GLU A 4 34.164 12.558 5.122 1.00 0.00 C ATOM 60 OE1 GLU A 4 33.231 12.302 5.867 1.00 0.00 O ATOM 61 OE2 GLU A 4 34.047 12.727 3.919 1.00 0.00 O ATOM 0 H GLU A 4 36.865 14.581 6.706 1.00 0.00 H new ATOM 0 HA GLU A 4 36.762 12.818 8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 4 35.026 11.673 7.576 1.00 0.00 H new ATOM 0 HB3 GLU A 4 34.784 13.409 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 4 36.038 13.597 5.417 1.00 0.00 H new ATOM 0 HG3 GLU A 4 36.192 11.852 5.378 1.00 0.00 H new ATOM 68 N ALA A 5 37.913 10.684 8.348 1.00 0.00 N ATOM 69 CA ALA A 5 38.771 9.496 8.048 1.00 0.00 C ATOM 70 C ALA A 5 37.927 8.226 8.189 1.00 0.00 C ATOM 71 O ALA A 5 37.675 7.520 7.232 1.00 0.00 O ATOM 72 CB ALA A 5 39.920 9.450 9.056 1.00 0.00 C ATOM 0 H ALA A 5 37.484 10.675 9.273 1.00 0.00 H new ATOM 0 HA ALA A 5 39.168 9.565 7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 5 40.553 8.587 8.847 1.00 0.00 H new ATOM 0 HB2 ALA A 5 40.511 10.362 8.975 1.00 0.00 H new ATOM 0 HB3 ALA A 5 39.516 9.368 10.065 1.00 0.00 H new ATOM 78 N GLY A 6 37.489 7.929 9.380 1.00 0.00 N ATOM 79 CA GLY A 6 36.661 6.703 9.588 1.00 0.00 C ATOM 80 C GLY A 6 37.483 5.465 9.227 1.00 0.00 C ATOM 81 O GLY A 6 37.115 4.686 8.368 1.00 0.00 O ATOM 0 H GLY A 6 37.667 8.480 10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 6 36.333 6.645 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 6 35.763 6.749 8.972 1.00 0.00 H new ATOM 85 N LEU A 7 38.594 5.281 9.881 1.00 0.00 N ATOM 86 CA LEU A 7 39.457 4.101 9.594 1.00 0.00 C ATOM 87 C LEU A 7 39.810 4.056 8.100 1.00 0.00 C ATOM 88 O LEU A 7 38.981 3.819 7.245 1.00 0.00 O ATOM 89 CB LEU A 7 38.723 2.813 10.008 1.00 0.00 C ATOM 90 CG LEU A 7 38.862 2.613 11.521 1.00 0.00 C ATOM 91 CD1 LEU A 7 38.283 3.828 12.251 1.00 0.00 C ATOM 92 CD2 LEU A 7 38.102 1.355 11.939 1.00 0.00 C ATOM 0 H LEU A 7 38.945 5.903 10.609 1.00 0.00 H new ATOM 0 HA LEU A 7 40.381 4.184 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.670 2.877 9.734 1.00 0.00 H new ATOM 0 HB3 LEU A 7 39.139 1.957 9.477 1.00 0.00 H new ATOM 0 HG LEU A 7 39.915 2.503 11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 7 38.381 3.687 13.327 1.00 0.00 H new ATOM 0 HD12 LEU A 7 38.825 4.725 11.952 1.00 0.00 H new ATOM 0 HD13 LEU A 7 37.229 3.939 11.994 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.200 1.211 13.015 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.048 1.464 11.682 1.00 0.00 H new ATOM 0 HD23 LEU A 7 38.515 0.491 11.419 1.00 0.00 H new ATOM 104 N LEU A 8 41.055 4.274 7.796 1.00 0.00 N ATOM 105 CA LEU A 8 41.505 4.241 6.378 1.00 0.00 C ATOM 106 C LEU A 8 41.534 2.788 5.897 1.00 0.00 C ATOM 107 O LEU A 8 41.813 2.502 4.750 1.00 0.00 O ATOM 108 CB LEU A 8 42.914 4.856 6.279 1.00 0.00 C ATOM 109 CG LEU A 8 43.969 3.946 6.954 1.00 0.00 C ATOM 110 CD1 LEU A 8 45.363 4.532 6.723 1.00 0.00 C ATOM 111 CD2 LEU A 8 43.700 3.847 8.467 1.00 0.00 C ATOM 0 H LEU A 8 41.789 4.476 8.475 1.00 0.00 H new ATOM 0 HA LEU A 8 40.819 4.814 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 8 43.176 5.006 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 8 42.920 5.838 6.753 1.00 0.00 H new ATOM 0 HG LEU A 8 43.908 2.948 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 8 46.109 3.894 7.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 45.561 4.589 5.653 1.00 0.00 H new ATOM 0 HD13 LEU A 8 45.414 5.532 7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 8 44.449 3.204 8.928 1.00 0.00 H new ATOM 0 HD22 LEU A 8 43.751 4.841 8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 8 42.709 3.426 8.633 1.00 0.00 H new ATOM 123 N GLU A 9 41.255 1.867 6.774 1.00 0.00 N ATOM 124 CA GLU A 9 41.269 0.430 6.380 1.00 0.00 C ATOM 125 C GLU A 9 39.929 0.081 5.735 1.00 0.00 C ATOM 126 O GLU A 9 39.726 -1.007 5.231 1.00 0.00 O ATOM 127 CB GLU A 9 41.483 -0.434 7.627 1.00 0.00 C ATOM 128 CG GLU A 9 42.908 -0.236 8.151 1.00 0.00 C ATOM 129 CD GLU A 9 43.092 -1.020 9.454 1.00 0.00 C ATOM 130 OE1 GLU A 9 42.153 -1.685 9.860 1.00 0.00 O ATOM 131 OE2 GLU A 9 44.168 -0.940 10.022 1.00 0.00 O ATOM 0 H GLU A 9 41.017 2.046 7.749 1.00 0.00 H new ATOM 0 HA GLU A 9 42.076 0.244 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 9 40.761 -0.164 8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 9 41.316 -1.484 7.387 1.00 0.00 H new ATOM 0 HG2 GLU A 9 43.630 -0.574 7.407 1.00 0.00 H new ATOM 0 HG3 GLU A 9 43.099 0.823 8.323 1.00 0.00 H new ATOM 138 N ILE A 10 39.006 1.001 5.758 1.00 0.00 N ATOM 139 CA ILE A 10 37.671 0.730 5.160 1.00 0.00 C ATOM 140 C ILE A 10 37.773 0.728 3.633 1.00 0.00 C ATOM 141 O ILE A 10 38.360 1.607 3.034 1.00 0.00 O ATOM 142 CB ILE A 10 36.681 1.804 5.612 1.00 0.00 C ATOM 143 CG1 ILE A 10 35.273 1.424 5.146 1.00 0.00 C ATOM 144 CG2 ILE A 10 37.071 3.159 5.011 1.00 0.00 C ATOM 145 CD1 ILE A 10 34.249 2.320 5.841 1.00 0.00 C ATOM 0 H ILE A 10 39.119 1.929 6.165 1.00 0.00 H new ATOM 0 HA ILE A 10 37.321 -0.247 5.492 1.00 0.00 H new ATOM 0 HB ILE A 10 36.700 1.877 6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 10 35.194 1.534 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 10 35.072 0.378 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 10 36.361 3.919 5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 10 38.073 3.430 5.345 1.00 0.00 H new ATOM 0 HG23 ILE A 10 37.057 3.092 3.923 1.00 0.00 H new ATOM 0 HD11 ILE A 10 33.246 2.051 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 10 34.323 2.188 6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 10 34.447 3.362 5.589 1.00 0.00 H new ATOM 157 N LEU A 11 37.211 -0.267 3.003 1.00 0.00 N ATOM 158 CA LEU A 11 37.279 -0.352 1.517 1.00 0.00 C ATOM 159 C LEU A 11 36.109 0.416 0.897 1.00 0.00 C ATOM 160 O LEU A 11 34.957 0.169 1.189 1.00 0.00 O ATOM 161 CB LEU A 11 37.205 -1.828 1.092 1.00 0.00 C ATOM 162 CG LEU A 11 36.287 -2.616 2.066 1.00 0.00 C ATOM 163 CD1 LEU A 11 35.568 -3.741 1.310 1.00 0.00 C ATOM 164 CD2 LEU A 11 37.124 -3.232 3.202 1.00 0.00 C ATOM 0 H LEU A 11 36.705 -1.028 3.456 1.00 0.00 H new ATOM 0 HA LEU A 11 38.216 0.086 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 11 36.820 -1.903 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 11 38.204 -2.264 1.088 1.00 0.00 H new ATOM 0 HG LEU A 11 35.554 -1.927 2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 11 34.926 -4.290 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 34.962 -3.313 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 11 36.305 -4.420 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 11 36.470 -3.782 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 11 37.865 -3.912 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 11 37.631 -2.439 3.752 1.00 0.00 H new ATOM 176 N ALA A 12 36.403 1.336 0.025 1.00 0.00 N ATOM 177 CA ALA A 12 35.318 2.110 -0.632 1.00 0.00 C ATOM 178 C ALA A 12 35.810 2.616 -1.981 1.00 0.00 C ATOM 179 O ALA A 12 36.932 3.058 -2.124 1.00 0.00 O ATOM 180 CB ALA A 12 34.923 3.294 0.244 1.00 0.00 C ATOM 0 H ALA A 12 37.350 1.586 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 12 34.449 1.467 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.127 3.858 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.572 2.931 1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.787 3.941 0.392 1.00 0.00 H new ATOM 186 N CYS A 13 34.978 2.534 -2.972 1.00 0.00 N ATOM 187 CA CYS A 13 35.392 2.989 -4.331 1.00 0.00 C ATOM 188 C CYS A 13 35.795 4.477 -4.299 1.00 0.00 C ATOM 189 O CYS A 13 35.445 5.197 -3.386 1.00 0.00 O ATOM 190 CB CYS A 13 34.226 2.781 -5.315 1.00 0.00 C ATOM 191 SG CYS A 13 33.093 1.548 -4.638 1.00 0.00 S ATOM 0 H CYS A 13 34.027 2.172 -2.906 1.00 0.00 H new ATOM 0 HA CYS A 13 36.253 2.405 -4.657 1.00 0.00 H new ATOM 0 HB2 CYS A 13 33.702 3.722 -5.481 1.00 0.00 H new ATOM 0 HB3 CYS A 13 34.605 2.452 -6.283 1.00 0.00 H new ATOM 196 N PRO A 14 36.507 4.938 -5.303 1.00 0.00 N ATOM 197 CA PRO A 14 36.934 6.370 -5.394 1.00 0.00 C ATOM 198 C PRO A 14 35.748 7.339 -5.275 1.00 0.00 C ATOM 199 O PRO A 14 35.693 8.170 -4.392 1.00 0.00 O ATOM 200 CB PRO A 14 37.564 6.474 -6.796 1.00 0.00 C ATOM 201 CG PRO A 14 37.988 5.084 -7.141 1.00 0.00 C ATOM 202 CD PRO A 14 36.989 4.154 -6.461 1.00 0.00 C ATOM 0 HA PRO A 14 37.613 6.640 -4.586 1.00 0.00 H new ATOM 0 HB2 PRO A 14 36.847 6.858 -7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 14 38.414 7.156 -6.796 1.00 0.00 H new ATOM 0 HG2 PRO A 14 37.988 4.933 -8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 14 39.002 4.888 -6.792 1.00 0.00 H new ATOM 0 HD2 PRO A 14 36.172 3.887 -7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 14 37.460 3.223 -6.145 1.00 0.00 H new ATOM 210 N ALA A 15 34.801 7.232 -6.172 1.00 0.00 N ATOM 211 CA ALA A 15 33.606 8.135 -6.147 1.00 0.00 C ATOM 212 C ALA A 15 32.352 7.313 -5.843 1.00 0.00 C ATOM 213 O ALA A 15 31.579 7.637 -4.961 1.00 0.00 O ATOM 214 CB ALA A 15 33.447 8.793 -7.521 1.00 0.00 C ATOM 0 H ALA A 15 34.803 6.550 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 15 33.741 8.897 -5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 15 32.579 9.452 -7.511 1.00 0.00 H new ATOM 0 HB2 ALA A 15 34.340 9.373 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 15 33.309 8.023 -8.280 1.00 0.00 H new ATOM 220 N CYS A 16 32.141 6.252 -6.569 1.00 0.00 N ATOM 221 CA CYS A 16 30.935 5.412 -6.321 1.00 0.00 C ATOM 222 C CYS A 16 31.127 4.627 -5.026 1.00 0.00 C ATOM 223 O CYS A 16 31.206 3.415 -5.032 1.00 0.00 O ATOM 224 CB CYS A 16 30.735 4.441 -7.485 1.00 0.00 C ATOM 225 SG CYS A 16 32.210 3.414 -7.662 1.00 0.00 S ATOM 0 H CYS A 16 32.749 5.930 -7.322 1.00 0.00 H new ATOM 0 HA CYS A 16 30.057 6.052 -6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.861 3.815 -7.306 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.549 4.993 -8.406 1.00 0.00 H new ATOM 230 N HIS A 17 31.206 5.321 -3.920 1.00 0.00 N ATOM 231 CA HIS A 17 31.401 4.652 -2.601 1.00 0.00 C ATOM 232 C HIS A 17 30.610 3.348 -2.541 1.00 0.00 C ATOM 233 O HIS A 17 29.396 3.332 -2.523 1.00 0.00 O ATOM 234 CB HIS A 17 30.928 5.584 -1.487 1.00 0.00 C ATOM 235 CG HIS A 17 31.158 4.929 -0.154 1.00 0.00 C ATOM 236 ND1 HIS A 17 30.303 3.959 0.352 1.00 0.00 N ATOM 237 CD2 HIS A 17 32.144 5.088 0.789 1.00 0.00 C ATOM 238 CE1 HIS A 17 30.786 3.575 1.548 1.00 0.00 C ATOM 239 NE2 HIS A 17 31.905 4.233 1.858 1.00 0.00 N ATOM 0 H HIS A 17 31.143 6.338 -3.876 1.00 0.00 H new ATOM 0 HA HIS A 17 32.460 4.426 -2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.467 6.530 -1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 17 29.870 5.812 -1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 17 32.976 5.772 0.712 1.00 0.00 H new ATOM 0 HE1 HIS A 17 30.326 2.828 2.178 1.00 0.00 H new ATOM 0 HE2 HIS A 17 32.467 4.130 2.703 1.00 0.00 H new ATOM 247 N ALA A 18 31.302 2.258 -2.501 1.00 0.00 N ATOM 248 CA ALA A 18 30.606 0.951 -2.434 1.00 0.00 C ATOM 249 C ALA A 18 31.648 -0.160 -2.257 1.00 0.00 C ATOM 250 O ALA A 18 32.837 0.073 -2.405 1.00 0.00 O ATOM 251 CB ALA A 18 29.791 0.710 -3.735 1.00 0.00 C ATOM 0 H ALA A 18 32.321 2.211 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 18 29.918 0.949 -1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 18 29.284 -0.253 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 18 29.052 1.502 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.465 0.712 -4.592 1.00 0.00 H new ATOM 257 N PRO A 19 31.195 -1.357 -1.951 1.00 0.00 N ATOM 258 CA PRO A 19 32.091 -2.542 -1.764 1.00 0.00 C ATOM 259 C PRO A 19 32.981 -2.815 -2.990 1.00 0.00 C ATOM 260 O PRO A 19 32.598 -2.595 -4.126 1.00 0.00 O ATOM 261 CB PRO A 19 31.118 -3.715 -1.529 1.00 0.00 C ATOM 262 CG PRO A 19 29.843 -3.088 -1.070 1.00 0.00 C ATOM 263 CD PRO A 19 29.777 -1.713 -1.731 1.00 0.00 C ATOM 0 HA PRO A 19 32.788 -2.385 -0.941 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.967 -4.289 -2.443 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.508 -4.405 -0.781 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.986 -3.698 -1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.823 -2.998 0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.223 -1.747 -2.669 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.277 -0.986 -1.092 1.00 0.00 H new ATOM 271 N LEU A 20 34.174 -3.287 -2.755 1.00 0.00 N ATOM 272 CA LEU A 20 35.118 -3.581 -3.877 1.00 0.00 C ATOM 273 C LEU A 20 35.510 -5.047 -3.840 1.00 0.00 C ATOM 274 O LEU A 20 35.640 -5.642 -2.788 1.00 0.00 O ATOM 275 CB LEU A 20 36.368 -2.723 -3.715 1.00 0.00 C ATOM 276 CG LEU A 20 35.963 -1.247 -3.674 1.00 0.00 C ATOM 277 CD1 LEU A 20 37.202 -0.395 -3.391 1.00 0.00 C ATOM 278 CD2 LEU A 20 35.340 -0.828 -5.021 1.00 0.00 C ATOM 0 H LEU A 20 34.542 -3.485 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 20 34.635 -3.358 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 20 36.894 -2.994 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 20 37.056 -2.901 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 20 35.225 -1.098 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 20 36.921 0.658 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 20 37.631 -0.684 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 20 37.939 -0.551 -4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 20 35.056 0.224 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 20 36.067 -0.976 -5.820 1.00 0.00 H new ATOM 0 HD23 LEU A 20 34.456 -1.435 -5.217 1.00 0.00 H new ATOM 290 N GLU A 21 35.700 -5.636 -4.995 1.00 0.00 N ATOM 291 CA GLU A 21 36.090 -7.075 -5.056 1.00 0.00 C ATOM 292 C GLU A 21 37.415 -7.202 -5.806 1.00 0.00 C ATOM 293 O GLU A 21 37.547 -6.803 -6.951 1.00 0.00 O ATOM 294 CB GLU A 21 35.002 -7.861 -5.787 1.00 0.00 C ATOM 295 CG GLU A 21 35.307 -9.359 -5.713 1.00 0.00 C ATOM 296 CD GLU A 21 35.130 -9.844 -4.272 1.00 0.00 C ATOM 297 OE1 GLU A 21 34.611 -9.081 -3.471 1.00 0.00 O ATOM 298 OE2 GLU A 21 35.506 -10.970 -3.995 1.00 0.00 O ATOM 0 H GLU A 21 35.601 -5.178 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 21 36.205 -7.473 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 34.029 -7.656 -5.340 1.00 0.00 H new ATOM 0 HB3 GLU A 21 34.948 -7.543 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 21 34.642 -9.910 -6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 21 36.326 -9.551 -6.050 1.00 0.00 H new ATOM 305 N GLU A 22 38.401 -7.751 -5.153 1.00 0.00 N ATOM 306 CA GLU A 22 39.733 -7.911 -5.795 1.00 0.00 C ATOM 307 C GLU A 22 39.749 -9.169 -6.654 1.00 0.00 C ATOM 308 O GLU A 22 39.254 -10.208 -6.263 1.00 0.00 O ATOM 309 CB GLU A 22 40.807 -8.015 -4.706 1.00 0.00 C ATOM 310 CG GLU A 22 40.517 -9.217 -3.801 1.00 0.00 C ATOM 311 CD GLU A 22 41.515 -9.231 -2.640 1.00 0.00 C ATOM 312 OE1 GLU A 22 42.639 -8.806 -2.847 1.00 0.00 O ATOM 313 OE2 GLU A 22 41.139 -9.668 -1.564 1.00 0.00 O ATOM 0 H GLU A 22 38.340 -8.098 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 22 39.936 -7.048 -6.430 1.00 0.00 H new ATOM 0 HB2 GLU A 22 41.791 -8.121 -5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 22 40.827 -7.100 -4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 22 39.498 -9.161 -3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 22 40.593 -10.143 -4.372 1.00 0.00 H new ATOM 320 N ARG A 23 40.322 -9.089 -7.828 1.00 0.00 N ATOM 321 CA ARG A 23 40.382 -10.287 -8.713 1.00 0.00 C ATOM 322 C ARG A 23 41.755 -10.344 -9.382 1.00 0.00 C ATOM 323 O ARG A 23 42.117 -9.493 -10.173 1.00 0.00 O ATOM 324 CB ARG A 23 39.284 -10.197 -9.773 1.00 0.00 C ATOM 325 CG ARG A 23 39.296 -11.464 -10.636 1.00 0.00 C ATOM 326 CD ARG A 23 38.199 -11.373 -11.698 1.00 0.00 C ATOM 327 NE ARG A 23 36.864 -11.406 -11.035 1.00 0.00 N ATOM 328 CZ ARG A 23 35.776 -11.280 -11.743 1.00 0.00 C ATOM 329 NH1 ARG A 23 35.848 -11.120 -13.035 1.00 0.00 N ATOM 330 NH2 ARG A 23 34.611 -11.314 -11.156 1.00 0.00 N ATOM 0 H ARG A 23 40.750 -8.246 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 23 40.229 -11.191 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 23 38.312 -10.080 -9.295 1.00 0.00 H new ATOM 0 HB3 ARG A 23 39.439 -9.318 -10.398 1.00 0.00 H new ATOM 0 HG2 ARG A 23 40.269 -11.582 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 23 39.139 -12.343 -10.011 1.00 0.00 H new ATOM 0 HD2 ARG A 23 38.309 -10.453 -12.273 1.00 0.00 H new ATOM 0 HD3 ARG A 23 38.289 -12.201 -12.401 1.00 0.00 H new ATOM 0 HE ARG A 23 36.801 -11.528 -10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 23 36.758 -11.093 -13.496 1.00 0.00 H new ATOM 0 HH12 ARG A 23 34.995 -11.022 -13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 23 34.553 -11.439 -10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 23 33.759 -11.216 -11.708 1.00 0.00 H new ATOM 344 N ASP A 24 42.513 -11.355 -9.066 1.00 0.00 N ATOM 345 CA ASP A 24 43.869 -11.508 -9.670 1.00 0.00 C ATOM 346 C ASP A 24 44.673 -10.210 -9.527 1.00 0.00 C ATOM 347 O ASP A 24 45.043 -9.809 -8.442 1.00 0.00 O ATOM 348 CB ASP A 24 43.729 -11.851 -11.155 1.00 0.00 C ATOM 349 CG ASP A 24 43.216 -13.280 -11.305 1.00 0.00 C ATOM 350 OD1 ASP A 24 43.146 -13.971 -10.302 1.00 0.00 O ATOM 351 OD2 ASP A 24 42.899 -13.660 -12.420 1.00 0.00 O ATOM 0 H ASP A 24 42.251 -12.090 -8.409 1.00 0.00 H new ATOM 0 HA ASP A 24 44.394 -12.308 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 24 43.042 -11.155 -11.636 1.00 0.00 H new ATOM 0 HB3 ASP A 24 44.692 -11.745 -11.655 1.00 0.00 H new ATOM 356 N ALA A 25 44.954 -9.561 -10.626 1.00 0.00 N ATOM 357 CA ALA A 25 45.738 -8.294 -10.588 1.00 0.00 C ATOM 358 C ALA A 25 44.819 -7.132 -10.961 1.00 0.00 C ATOM 359 O ALA A 25 45.259 -6.122 -11.471 1.00 0.00 O ATOM 360 CB ALA A 25 46.884 -8.397 -11.597 1.00 0.00 C ATOM 0 H ALA A 25 44.670 -9.860 -11.559 1.00 0.00 H new ATOM 0 HA ALA A 25 46.145 -8.126 -9.591 1.00 0.00 H new ATOM 0 HB1 ALA A 25 47.467 -7.476 -11.581 1.00 0.00 H new ATOM 0 HB2 ALA A 25 47.526 -9.238 -11.334 1.00 0.00 H new ATOM 0 HB3 ALA A 25 46.476 -8.550 -12.596 1.00 0.00 H new ATOM 366 N GLU A 26 43.538 -7.265 -10.716 1.00 0.00 N ATOM 367 CA GLU A 26 42.597 -6.158 -11.067 1.00 0.00 C ATOM 368 C GLU A 26 41.537 -6.030 -9.976 1.00 0.00 C ATOM 369 O GLU A 26 41.234 -6.977 -9.265 1.00 0.00 O ATOM 370 CB GLU A 26 41.918 -6.456 -12.402 1.00 0.00 C ATOM 371 CG GLU A 26 42.980 -6.717 -13.482 1.00 0.00 C ATOM 372 CD GLU A 26 43.468 -8.166 -13.387 1.00 0.00 C ATOM 373 OE1 GLU A 26 43.052 -8.853 -12.468 1.00 0.00 O ATOM 374 OE2 GLU A 26 44.260 -8.561 -14.227 1.00 0.00 O ATOM 0 H GLU A 26 43.107 -8.086 -10.291 1.00 0.00 H new ATOM 0 HA GLU A 26 43.155 -5.225 -11.149 1.00 0.00 H new ATOM 0 HB2 GLU A 26 41.267 -7.324 -12.303 1.00 0.00 H new ATOM 0 HB3 GLU A 26 41.288 -5.616 -12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 26 42.561 -6.528 -14.471 1.00 0.00 H new ATOM 0 HG3 GLU A 26 43.818 -6.032 -13.355 1.00 0.00 H new ATOM 381 N LEU A 27 40.970 -4.857 -9.838 1.00 0.00 N ATOM 382 CA LEU A 27 39.923 -4.635 -8.794 1.00 0.00 C ATOM 383 C LEU A 27 38.583 -4.370 -9.471 1.00 0.00 C ATOM 384 O LEU A 27 38.490 -3.610 -10.420 1.00 0.00 O ATOM 385 CB LEU A 27 40.311 -3.429 -7.944 1.00 0.00 C ATOM 386 CG LEU A 27 41.712 -3.649 -7.365 1.00 0.00 C ATOM 387 CD1 LEU A 27 42.117 -2.422 -6.546 1.00 0.00 C ATOM 388 CD2 LEU A 27 41.717 -4.900 -6.469 1.00 0.00 C ATOM 0 H LEU A 27 41.189 -4.039 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 27 39.841 -5.518 -8.160 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.293 -2.522 -8.549 1.00 0.00 H new ATOM 0 HB3 LEU A 27 39.590 -3.290 -7.139 1.00 0.00 H new ATOM 0 HG LEU A 27 42.423 -3.795 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 27 43.114 -2.574 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 27 42.121 -1.541 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 27 41.405 -2.275 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 27 42.716 -5.051 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 27 41.008 -4.766 -5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 27 41.431 -5.771 -7.059 1.00 0.00 H new ATOM 400 N ILE A 28 37.542 -5.006 -8.986 1.00 0.00 N ATOM 401 CA ILE A 28 36.187 -4.820 -9.585 1.00 0.00 C ATOM 402 C ILE A 28 35.277 -4.106 -8.586 1.00 0.00 C ATOM 403 O ILE A 28 35.218 -4.451 -7.414 1.00 0.00 O ATOM 404 CB ILE A 28 35.599 -6.182 -9.931 1.00 0.00 C ATOM 405 CG1 ILE A 28 36.462 -6.833 -11.016 1.00 0.00 C ATOM 406 CG2 ILE A 28 34.174 -5.998 -10.455 1.00 0.00 C ATOM 407 CD1 ILE A 28 36.056 -8.298 -11.182 1.00 0.00 C ATOM 0 H ILE A 28 37.576 -5.650 -8.195 1.00 0.00 H new ATOM 0 HA ILE A 28 36.268 -4.217 -10.490 1.00 0.00 H new ATOM 0 HB ILE A 28 35.580 -6.816 -9.045 1.00 0.00 H new ATOM 0 HG12 ILE A 28 36.340 -6.302 -11.960 1.00 0.00 H new ATOM 0 HG13 ILE A 28 37.516 -6.765 -10.746 1.00 0.00 H new ATOM 0 HG21 ILE A 28 33.749 -6.971 -10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 28 33.563 -5.521 -9.689 1.00 0.00 H new ATOM 0 HG23 ILE A 28 34.192 -5.371 -11.347 1.00 0.00 H new ATOM 0 HD11 ILE A 28 36.671 -8.761 -11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 28 36.201 -8.825 -10.239 1.00 0.00 H new ATOM 0 HD13 ILE A 28 35.007 -8.354 -11.471 1.00 0.00 H new ATOM 419 N CYS A 29 34.573 -3.103 -9.044 1.00 0.00 N ATOM 420 CA CYS A 29 33.669 -2.347 -8.134 1.00 0.00 C ATOM 421 C CYS A 29 32.390 -3.158 -7.895 1.00 0.00 C ATOM 422 O CYS A 29 31.789 -3.665 -8.818 1.00 0.00 O ATOM 423 CB CYS A 29 33.326 -0.994 -8.792 1.00 0.00 C ATOM 424 SG CYS A 29 34.165 0.349 -7.916 1.00 0.00 S ATOM 0 H CYS A 29 34.587 -2.777 -10.010 1.00 0.00 H new ATOM 0 HA CYS A 29 34.158 -2.173 -7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 29 33.629 -1.002 -9.839 1.00 0.00 H new ATOM 0 HB3 CYS A 29 32.248 -0.834 -8.774 1.00 0.00 H new ATOM 429 N THR A 30 31.971 -3.278 -6.657 1.00 0.00 N ATOM 430 CA THR A 30 30.734 -4.046 -6.345 1.00 0.00 C ATOM 431 C THR A 30 29.773 -3.149 -5.577 1.00 0.00 C ATOM 432 O THR A 30 30.159 -2.421 -4.687 1.00 0.00 O ATOM 433 CB THR A 30 31.100 -5.261 -5.494 1.00 0.00 C ATOM 434 OG1 THR A 30 32.006 -4.862 -4.473 1.00 0.00 O ATOM 435 CG2 THR A 30 31.755 -6.325 -6.378 1.00 0.00 C ATOM 0 H THR A 30 32.440 -2.872 -5.847 1.00 0.00 H new ATOM 0 HA THR A 30 30.259 -4.381 -7.267 1.00 0.00 H new ATOM 0 HB THR A 30 30.200 -5.676 -5.040 1.00 0.00 H new ATOM 0 HG1 THR A 30 32.377 -3.981 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.016 -7.192 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.059 -6.627 -7.161 1.00 0.00 H new ATOM 0 HG23 THR A 30 32.657 -5.915 -6.833 1.00 0.00 H new ATOM 443 N GLY A 31 28.524 -3.199 -5.927 1.00 0.00 N ATOM 444 CA GLY A 31 27.515 -2.356 -5.229 1.00 0.00 C ATOM 445 C GLY A 31 26.269 -2.203 -6.107 1.00 0.00 C ATOM 446 O GLY A 31 26.035 -2.970 -7.018 1.00 0.00 O ATOM 0 H GLY A 31 28.153 -3.790 -6.671 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.245 -2.810 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.937 -1.376 -5.007 1.00 0.00 H new ATOM 450 N GLN A 32 25.465 -1.217 -5.826 1.00 0.00 N ATOM 451 CA GLN A 32 24.221 -0.998 -6.626 1.00 0.00 C ATOM 452 C GLN A 32 24.569 -0.356 -7.974 1.00 0.00 C ATOM 453 O GLN A 32 24.259 -0.878 -9.027 1.00 0.00 O ATOM 454 CB GLN A 32 23.302 -0.056 -5.850 1.00 0.00 C ATOM 455 CG GLN A 32 22.801 -0.755 -4.586 1.00 0.00 C ATOM 456 CD GLN A 32 21.951 0.215 -3.762 1.00 0.00 C ATOM 457 OE1 GLN A 32 22.338 1.348 -3.540 1.00 0.00 O ATOM 458 NE2 GLN A 32 20.800 -0.183 -3.296 1.00 0.00 N ATOM 0 H GLN A 32 25.614 -0.547 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 32 23.729 -1.954 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.838 0.855 -5.586 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.458 0.240 -6.473 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.212 -1.633 -4.853 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.646 -1.106 -3.994 1.00 0.00 H new ATOM 0 HE21 GLN A 32 20.475 -1.132 -3.482 1.00 0.00 H new ATOM 0 HE22 GLN A 32 20.224 0.455 -2.746 1.00 0.00 H new ATOM 467 N ASP A 33 25.208 0.779 -7.948 1.00 0.00 N ATOM 468 CA ASP A 33 25.582 1.466 -9.221 1.00 0.00 C ATOM 469 C ASP A 33 27.021 1.092 -9.591 1.00 0.00 C ATOM 470 O ASP A 33 27.588 1.596 -10.540 1.00 0.00 O ATOM 471 CB ASP A 33 25.478 2.980 -9.024 1.00 0.00 C ATOM 472 CG ASP A 33 24.023 3.355 -8.728 1.00 0.00 C ATOM 473 OD1 ASP A 33 23.154 2.557 -9.036 1.00 0.00 O ATOM 474 OD2 ASP A 33 23.804 4.431 -8.196 1.00 0.00 O ATOM 0 H ASP A 33 25.490 1.265 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 33 24.910 1.157 -10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 33 26.121 3.296 -8.203 1.00 0.00 H new ATOM 0 HB3 ASP A 33 25.824 3.499 -9.918 1.00 0.00 H new ATOM 479 N CYS A 34 27.618 0.215 -8.838 1.00 0.00 N ATOM 480 CA CYS A 34 29.023 -0.191 -9.128 1.00 0.00 C ATOM 481 C CYS A 34 29.062 -1.116 -10.351 1.00 0.00 C ATOM 482 O CYS A 34 28.051 -1.459 -10.928 1.00 0.00 O ATOM 483 CB CYS A 34 29.594 -0.925 -7.902 1.00 0.00 C ATOM 484 SG CYS A 34 30.631 0.204 -6.947 1.00 0.00 S ATOM 0 H CYS A 34 27.194 -0.241 -8.030 1.00 0.00 H new ATOM 0 HA CYS A 34 29.622 0.695 -9.341 1.00 0.00 H new ATOM 0 HB2 CYS A 34 28.782 -1.302 -7.281 1.00 0.00 H new ATOM 0 HB3 CYS A 34 30.178 -1.788 -8.222 1.00 0.00 H new ATOM 489 N GLY A 35 30.242 -1.515 -10.738 1.00 0.00 N ATOM 490 CA GLY A 35 30.397 -2.417 -11.917 1.00 0.00 C ATOM 491 C GLY A 35 31.666 -2.018 -12.676 1.00 0.00 C ATOM 492 O GLY A 35 32.061 -2.655 -13.633 1.00 0.00 O ATOM 0 H GLY A 35 31.116 -1.252 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 35 30.461 -3.456 -11.592 1.00 0.00 H new ATOM 0 HA3 GLY A 35 29.527 -2.340 -12.569 1.00 0.00 H new ATOM 496 N LEU A 36 32.300 -0.958 -12.258 1.00 0.00 N ATOM 497 CA LEU A 36 33.538 -0.501 -12.955 1.00 0.00 C ATOM 498 C LEU A 36 34.714 -1.414 -12.607 1.00 0.00 C ATOM 499 O LEU A 36 34.735 -2.071 -11.576 1.00 0.00 O ATOM 500 CB LEU A 36 33.864 0.930 -12.530 1.00 0.00 C ATOM 501 CG LEU A 36 32.666 1.838 -12.828 1.00 0.00 C ATOM 502 CD1 LEU A 36 32.973 3.259 -12.349 1.00 0.00 C ATOM 503 CD2 LEU A 36 32.376 1.851 -14.342 1.00 0.00 C ATOM 0 H LEU A 36 32.015 -0.387 -11.463 1.00 0.00 H new ATOM 0 HA LEU A 36 33.369 -0.538 -14.031 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.100 0.960 -11.466 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.746 1.287 -13.063 1.00 0.00 H new ATOM 0 HG LEU A 36 31.789 1.458 -12.304 1.00 0.00 H new ATOM 0 HD11 LEU A 36 32.122 3.906 -12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.163 3.248 -11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.853 3.636 -12.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 31.523 2.499 -14.544 1.00 0.00 H new ATOM 0 HD22 LEU A 36 33.250 2.224 -14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 36 32.150 0.839 -14.678 1.00 0.00 H new ATOM 515 N ALA A 37 35.698 -1.458 -13.474 1.00 0.00 N ATOM 516 CA ALA A 37 36.890 -2.320 -13.224 1.00 0.00 C ATOM 517 C ALA A 37 38.143 -1.456 -13.219 1.00 0.00 C ATOM 518 O ALA A 37 38.296 -0.548 -14.023 1.00 0.00 O ATOM 519 CB ALA A 37 36.995 -3.361 -14.332 1.00 0.00 C ATOM 0 H ALA A 37 35.724 -0.931 -14.347 1.00 0.00 H new ATOM 0 HA ALA A 37 36.789 -2.820 -12.261 1.00 0.00 H new ATOM 0 HB1 ALA A 37 37.864 -3.994 -14.155 1.00 0.00 H new ATOM 0 HB2 ALA A 37 36.094 -3.975 -14.341 1.00 0.00 H new ATOM 0 HB3 ALA A 37 37.101 -2.859 -15.294 1.00 0.00 H new ATOM 525 N TYR A 38 39.043 -1.733 -12.306 1.00 0.00 N ATOM 526 CA TYR A 38 40.309 -0.944 -12.211 1.00 0.00 C ATOM 527 C TYR A 38 41.512 -1.907 -12.226 1.00 0.00 C ATOM 528 O TYR A 38 41.725 -2.637 -11.270 1.00 0.00 O ATOM 529 CB TYR A 38 40.319 -0.156 -10.905 1.00 0.00 C ATOM 530 CG TYR A 38 39.010 0.583 -10.761 1.00 0.00 C ATOM 531 CD1 TYR A 38 37.841 -0.121 -10.449 1.00 0.00 C ATOM 532 CD2 TYR A 38 38.962 1.970 -10.950 1.00 0.00 C ATOM 533 CE1 TYR A 38 36.628 0.562 -10.318 1.00 0.00 C ATOM 534 CE2 TYR A 38 37.749 2.652 -10.817 1.00 0.00 C ATOM 535 CZ TYR A 38 36.581 1.947 -10.504 1.00 0.00 C ATOM 536 OH TYR A 38 35.384 2.619 -10.374 1.00 0.00 O ATOM 0 H TYR A 38 38.952 -2.479 -11.617 1.00 0.00 H new ATOM 0 HA TYR A 38 40.373 -0.258 -13.055 1.00 0.00 H new ATOM 0 HB2 TYR A 38 40.465 -0.830 -10.061 1.00 0.00 H new ATOM 0 HB3 TYR A 38 41.151 0.548 -10.898 1.00 0.00 H new ATOM 0 HD1 TYR A 38 37.876 -1.191 -10.310 1.00 0.00 H new ATOM 0 HD2 TYR A 38 39.862 2.513 -11.198 1.00 0.00 H new ATOM 0 HE1 TYR A 38 35.727 0.019 -10.073 1.00 0.00 H new ATOM 0 HE2 TYR A 38 37.713 3.722 -10.956 1.00 0.00 H new ATOM 0 HH TYR A 38 34.831 2.174 -9.698 1.00 0.00 H new ATOM 546 N PRO A 39 42.288 -1.929 -13.293 1.00 0.00 N ATOM 547 CA PRO A 39 43.474 -2.825 -13.396 1.00 0.00 C ATOM 548 C PRO A 39 44.678 -2.279 -12.617 1.00 0.00 C ATOM 549 O PRO A 39 44.782 -1.098 -12.350 1.00 0.00 O ATOM 550 CB PRO A 39 43.754 -2.879 -14.903 1.00 0.00 C ATOM 551 CG PRO A 39 43.268 -1.567 -15.436 1.00 0.00 C ATOM 552 CD PRO A 39 42.127 -1.115 -14.513 1.00 0.00 C ATOM 0 HA PRO A 39 43.291 -3.809 -12.963 1.00 0.00 H new ATOM 0 HB2 PRO A 39 44.817 -3.016 -15.102 1.00 0.00 H new ATOM 0 HB3 PRO A 39 43.232 -3.713 -15.372 1.00 0.00 H new ATOM 0 HG2 PRO A 39 44.072 -0.831 -15.447 1.00 0.00 H new ATOM 0 HG3 PRO A 39 42.918 -1.672 -16.463 1.00 0.00 H new ATOM 0 HD2 PRO A 39 42.196 -0.050 -14.291 1.00 0.00 H new ATOM 0 HD3 PRO A 39 41.154 -1.282 -14.975 1.00 0.00 H new ATOM 560 N VAL A 40 45.585 -3.136 -12.246 1.00 0.00 N ATOM 561 CA VAL A 40 46.781 -2.680 -11.480 1.00 0.00 C ATOM 562 C VAL A 40 47.915 -2.349 -12.446 1.00 0.00 C ATOM 563 O VAL A 40 48.226 -3.111 -13.339 1.00 0.00 O ATOM 564 CB VAL A 40 47.229 -3.791 -10.537 1.00 0.00 C ATOM 565 CG1 VAL A 40 48.550 -3.398 -9.868 1.00 0.00 C ATOM 566 CG2 VAL A 40 46.156 -4.001 -9.470 1.00 0.00 C ATOM 0 H VAL A 40 45.552 -4.137 -12.440 1.00 0.00 H new ATOM 0 HA VAL A 40 46.525 -1.790 -10.905 1.00 0.00 H new ATOM 0 HB VAL A 40 47.375 -4.713 -11.099 1.00 0.00 H new ATOM 0 HG11 VAL A 40 48.868 -4.194 -9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 40 49.312 -3.243 -10.631 1.00 0.00 H new ATOM 0 HG13 VAL A 40 48.411 -2.477 -9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 40 46.468 -4.794 -8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 40 46.015 -3.077 -8.909 1.00 0.00 H new ATOM 0 HG23 VAL A 40 45.217 -4.281 -9.948 1.00 0.00 H new ATOM 576 N ARG A 41 48.535 -1.210 -12.265 1.00 0.00 N ATOM 577 CA ARG A 41 49.661 -0.802 -13.163 1.00 0.00 C ATOM 578 C ARG A 41 50.939 -0.660 -12.343 1.00 0.00 C ATOM 579 O ARG A 41 50.983 0.043 -11.357 1.00 0.00 O ATOM 580 CB ARG A 41 49.320 0.535 -13.819 1.00 0.00 C ATOM 581 CG ARG A 41 48.123 0.343 -14.755 1.00 0.00 C ATOM 582 CD ARG A 41 47.714 1.692 -15.350 1.00 0.00 C ATOM 583 NE ARG A 41 48.820 2.212 -16.206 1.00 0.00 N ATOM 584 CZ ARG A 41 48.764 3.422 -16.691 1.00 0.00 C ATOM 585 NH1 ARG A 41 47.746 4.190 -16.424 1.00 0.00 N ATOM 586 NH2 ARG A 41 49.733 3.865 -17.445 1.00 0.00 N ATOM 0 H ARG A 41 48.309 -0.541 -11.529 1.00 0.00 H new ATOM 0 HA ARG A 41 49.810 -1.559 -13.933 1.00 0.00 H new ATOM 0 HB2 ARG A 41 49.086 1.279 -13.057 1.00 0.00 H new ATOM 0 HB3 ARG A 41 50.178 0.909 -14.378 1.00 0.00 H new ATOM 0 HG2 ARG A 41 48.380 -0.354 -15.552 1.00 0.00 H new ATOM 0 HG3 ARG A 41 47.287 -0.093 -14.208 1.00 0.00 H new ATOM 0 HD2 ARG A 41 46.804 1.581 -15.940 1.00 0.00 H new ATOM 0 HD3 ARG A 41 47.492 2.401 -14.553 1.00 0.00 H new ATOM 0 HE ARG A 41 49.624 1.619 -16.413 1.00 0.00 H new ATOM 0 HH11 ARG A 41 46.989 3.846 -15.834 1.00 0.00 H new ATOM 0 HH12 ARG A 41 47.706 5.135 -16.805 1.00 0.00 H new ATOM 0 HH21 ARG A 41 50.531 3.266 -17.654 1.00 0.00 H new ATOM 0 HH22 ARG A 41 49.692 4.810 -17.825 1.00 0.00 H new ATOM 600 N ASP A 42 51.977 -1.331 -12.755 1.00 0.00 N ATOM 601 CA ASP A 42 53.276 -1.263 -12.025 1.00 0.00 C ATOM 602 C ASP A 42 53.078 -1.667 -10.559 1.00 0.00 C ATOM 603 O ASP A 42 53.790 -1.234 -9.673 1.00 0.00 O ATOM 604 CB ASP A 42 53.847 0.160 -12.113 1.00 0.00 C ATOM 605 CG ASP A 42 54.309 0.421 -13.547 1.00 0.00 C ATOM 606 OD1 ASP A 42 54.310 -0.519 -14.326 1.00 0.00 O ATOM 607 OD2 ASP A 42 54.650 1.554 -13.843 1.00 0.00 O ATOM 0 H ASP A 42 51.982 -1.933 -13.578 1.00 0.00 H new ATOM 0 HA ASP A 42 53.981 -1.956 -12.484 1.00 0.00 H new ATOM 0 HB2 ASP A 42 53.090 0.888 -11.822 1.00 0.00 H new ATOM 0 HB3 ASP A 42 54.682 0.275 -11.421 1.00 0.00 H new ATOM 612 N GLY A 43 52.120 -2.509 -10.302 1.00 0.00 N ATOM 613 CA GLY A 43 51.874 -2.957 -8.904 1.00 0.00 C ATOM 614 C GLY A 43 51.053 -1.904 -8.167 1.00 0.00 C ATOM 615 O GLY A 43 50.817 -2.017 -6.981 1.00 0.00 O ATOM 0 H GLY A 43 51.494 -2.908 -11.001 1.00 0.00 H new ATOM 0 HA2 GLY A 43 51.345 -3.910 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.822 -3.118 -8.391 1.00 0.00 H new ATOM 619 N ILE A 44 50.615 -0.879 -8.856 1.00 0.00 N ATOM 620 CA ILE A 44 49.804 0.186 -8.190 1.00 0.00 C ATOM 621 C ILE A 44 48.364 0.151 -8.739 1.00 0.00 C ATOM 622 O ILE A 44 48.165 0.117 -9.941 1.00 0.00 O ATOM 623 CB ILE A 44 50.419 1.549 -8.483 1.00 0.00 C ATOM 624 CG1 ILE A 44 51.902 1.511 -8.118 1.00 0.00 C ATOM 625 CG2 ILE A 44 49.715 2.611 -7.632 1.00 0.00 C ATOM 626 CD1 ILE A 44 52.543 2.860 -8.437 1.00 0.00 C ATOM 0 H ILE A 44 50.784 -0.734 -9.851 1.00 0.00 H new ATOM 0 HA ILE A 44 49.791 0.013 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 44 50.304 1.791 -9.539 1.00 0.00 H new ATOM 0 HG12 ILE A 44 52.020 1.282 -7.059 1.00 0.00 H new ATOM 0 HG13 ILE A 44 52.403 0.718 -8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 44 50.151 3.589 -7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 44 48.653 2.628 -7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 44 49.840 2.372 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 44 53.601 2.831 -8.176 1.00 0.00 H new ATOM 0 HD12 ILE A 44 52.438 3.070 -9.501 1.00 0.00 H new ATOM 0 HD13 ILE A 44 52.049 3.643 -7.862 1.00 0.00 H new ATOM 638 N PRO A 45 47.362 0.157 -7.879 1.00 0.00 N ATOM 639 CA PRO A 45 45.932 0.127 -8.311 1.00 0.00 C ATOM 640 C PRO A 45 45.471 1.468 -8.891 1.00 0.00 C ATOM 641 O PRO A 45 46.003 2.514 -8.573 1.00 0.00 O ATOM 642 CB PRO A 45 45.176 -0.213 -7.020 1.00 0.00 C ATOM 643 CG PRO A 45 46.027 0.339 -5.926 1.00 0.00 C ATOM 644 CD PRO A 45 47.472 0.195 -6.405 1.00 0.00 C ATOM 0 HA PRO A 45 45.758 -0.591 -9.112 1.00 0.00 H new ATOM 0 HB2 PRO A 45 44.182 0.235 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 45 45.041 -1.289 -6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 45 45.783 1.383 -5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 45 45.868 -0.205 -4.995 1.00 0.00 H new ATOM 0 HD2 PRO A 45 48.087 1.031 -6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 45 47.932 -0.713 -6.016 1.00 0.00 H new ATOM 652 N VAL A 46 44.480 1.442 -9.740 1.00 0.00 N ATOM 653 CA VAL A 46 43.974 2.709 -10.340 1.00 0.00 C ATOM 654 C VAL A 46 42.705 3.144 -9.607 1.00 0.00 C ATOM 655 O VAL A 46 41.731 2.421 -9.538 1.00 0.00 O ATOM 656 CB VAL A 46 43.655 2.473 -11.812 1.00 0.00 C ATOM 657 CG1 VAL A 46 43.006 3.727 -12.403 1.00 0.00 C ATOM 658 CG2 VAL A 46 44.953 2.169 -12.560 1.00 0.00 C ATOM 0 H VAL A 46 43.998 0.596 -10.044 1.00 0.00 H new ATOM 0 HA VAL A 46 44.731 3.488 -10.250 1.00 0.00 H new ATOM 0 HB VAL A 46 42.967 1.633 -11.910 1.00 0.00 H new ATOM 0 HG11 VAL A 46 42.778 3.557 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 46 42.085 3.949 -11.864 1.00 0.00 H new ATOM 0 HG13 VAL A 46 43.692 4.569 -12.311 1.00 0.00 H new ATOM 0 HG21 VAL A 46 44.734 1.999 -13.614 1.00 0.00 H new ATOM 0 HG22 VAL A 46 45.635 3.013 -12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 46 45.416 1.278 -12.137 1.00 0.00 H new ATOM 668 N LEU A 47 42.718 4.329 -9.060 1.00 0.00 N ATOM 669 CA LEU A 47 41.529 4.853 -8.321 1.00 0.00 C ATOM 670 C LEU A 47 40.949 6.032 -9.098 1.00 0.00 C ATOM 671 O LEU A 47 40.244 6.862 -8.558 1.00 0.00 O ATOM 672 CB LEU A 47 41.981 5.315 -6.933 1.00 0.00 C ATOM 673 CG LEU A 47 42.605 4.128 -6.184 1.00 0.00 C ATOM 674 CD1 LEU A 47 43.128 4.603 -4.825 1.00 0.00 C ATOM 675 CD2 LEU A 47 41.555 3.016 -5.979 1.00 0.00 C ATOM 0 H LEU A 47 43.513 4.967 -9.093 1.00 0.00 H new ATOM 0 HA LEU A 47 40.769 4.079 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 47 42.705 6.124 -7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 41.132 5.708 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 47 43.430 3.727 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 47 43.571 3.762 -4.292 1.00 0.00 H new ATOM 0 HD12 LEU A 47 43.882 5.376 -4.975 1.00 0.00 H new ATOM 0 HD13 LEU A 47 42.303 5.010 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 47 42.009 2.180 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 47 40.721 3.406 -5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 47 41.192 2.675 -6.949 1.00 0.00 H new ATOM 687 N LEU A 48 41.240 6.113 -10.371 1.00 0.00 N ATOM 688 CA LEU A 48 40.715 7.244 -11.193 1.00 0.00 C ATOM 689 C LEU A 48 39.497 6.783 -11.997 1.00 0.00 C ATOM 690 O LEU A 48 39.509 5.776 -12.685 1.00 0.00 O ATOM 691 CB LEU A 48 41.820 7.740 -12.136 1.00 0.00 C ATOM 692 CG LEU A 48 42.731 8.738 -11.397 1.00 0.00 C ATOM 693 CD1 LEU A 48 41.974 10.060 -11.101 1.00 0.00 C ATOM 694 CD2 LEU A 48 43.216 8.099 -10.081 1.00 0.00 C ATOM 0 H LEU A 48 41.820 5.443 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 48 40.409 8.060 -10.539 1.00 0.00 H new ATOM 0 HB2 LEU A 48 42.408 6.896 -12.497 1.00 0.00 H new ATOM 0 HB3 LEU A 48 41.377 8.217 -13.010 1.00 0.00 H new ATOM 0 HG LEU A 48 43.587 8.974 -12.029 1.00 0.00 H new ATOM 0 HD11 LEU A 48 42.637 10.750 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 48 41.648 10.510 -12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 48 41.105 9.850 -10.478 1.00 0.00 H new ATOM 0 HD21 LEU A 48 43.862 8.800 -9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 48 42.357 7.855 -9.456 1.00 0.00 H new ATOM 0 HD23 LEU A 48 43.773 7.189 -10.302 1.00 0.00 H new ATOM 706 N VAL A 49 38.440 7.530 -11.905 1.00 0.00 N ATOM 707 CA VAL A 49 37.199 7.179 -12.641 1.00 0.00 C ATOM 708 C VAL A 49 37.454 7.254 -14.149 1.00 0.00 C ATOM 709 O VAL A 49 37.010 6.419 -14.912 1.00 0.00 O ATOM 710 CB VAL A 49 36.097 8.163 -12.265 1.00 0.00 C ATOM 711 CG1 VAL A 49 34.850 7.868 -13.099 1.00 0.00 C ATOM 712 CG2 VAL A 49 35.768 8.014 -10.779 1.00 0.00 C ATOM 0 H VAL A 49 38.381 8.380 -11.344 1.00 0.00 H new ATOM 0 HA VAL A 49 36.895 6.166 -12.377 1.00 0.00 H new ATOM 0 HB VAL A 49 36.432 9.182 -12.460 1.00 0.00 H new ATOM 0 HG11 VAL A 49 34.060 8.570 -12.833 1.00 0.00 H new ATOM 0 HG12 VAL A 49 35.087 7.973 -14.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 34.513 6.850 -12.902 1.00 0.00 H new ATOM 0 HG21 VAL A 49 34.980 8.717 -10.509 1.00 0.00 H new ATOM 0 HG22 VAL A 49 35.430 6.997 -10.581 1.00 0.00 H new ATOM 0 HG23 VAL A 49 36.659 8.222 -10.186 1.00 0.00 H new ATOM 722 N ASP A 50 38.152 8.263 -14.583 1.00 0.00 N ATOM 723 CA ASP A 50 38.427 8.416 -16.042 1.00 0.00 C ATOM 724 C ASP A 50 39.248 7.219 -16.541 1.00 0.00 C ATOM 725 O ASP A 50 39.061 6.734 -17.639 1.00 0.00 O ATOM 726 CB ASP A 50 39.227 9.703 -16.268 1.00 0.00 C ATOM 727 CG ASP A 50 38.297 10.921 -16.247 1.00 0.00 C ATOM 728 OD1 ASP A 50 37.095 10.734 -16.331 1.00 0.00 O ATOM 729 OD2 ASP A 50 38.809 12.024 -16.141 1.00 0.00 O ATOM 0 H ASP A 50 38.547 8.993 -13.990 1.00 0.00 H new ATOM 0 HA ASP A 50 37.484 8.462 -16.587 1.00 0.00 H new ATOM 0 HB2 ASP A 50 39.989 9.806 -15.495 1.00 0.00 H new ATOM 0 HB3 ASP A 50 39.748 9.652 -17.224 1.00 0.00 H new ATOM 734 N GLU A 51 40.164 6.744 -15.752 1.00 0.00 N ATOM 735 CA GLU A 51 40.995 5.589 -16.194 1.00 0.00 C ATOM 736 C GLU A 51 40.241 4.286 -15.903 1.00 0.00 C ATOM 737 O GLU A 51 40.635 3.215 -16.323 1.00 0.00 O ATOM 738 CB GLU A 51 42.306 5.600 -15.413 1.00 0.00 C ATOM 739 CG GLU A 51 43.112 6.847 -15.786 1.00 0.00 C ATOM 740 CD GLU A 51 44.403 6.896 -14.964 1.00 0.00 C ATOM 741 OE1 GLU A 51 44.621 5.987 -14.182 1.00 0.00 O ATOM 742 OE2 GLU A 51 45.150 7.847 -15.131 1.00 0.00 O ATOM 0 H GLU A 51 40.376 7.102 -14.821 1.00 0.00 H new ATOM 0 HA GLU A 51 41.199 5.661 -17.262 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.104 5.592 -14.342 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.882 4.702 -15.636 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.348 6.834 -16.850 1.00 0.00 H new ATOM 0 HG3 GLU A 51 42.519 7.743 -15.602 1.00 0.00 H new ATOM 749 N ALA A 52 39.157 4.371 -15.185 1.00 0.00 N ATOM 750 CA ALA A 52 38.377 3.140 -14.861 1.00 0.00 C ATOM 751 C ALA A 52 37.941 2.439 -16.146 1.00 0.00 C ATOM 752 O ALA A 52 37.648 3.069 -17.145 1.00 0.00 O ATOM 753 CB ALA A 52 37.139 3.521 -14.059 1.00 0.00 C ATOM 0 H ALA A 52 38.776 5.238 -14.807 1.00 0.00 H new ATOM 0 HA ALA A 52 39.007 2.467 -14.279 1.00 0.00 H new ATOM 0 HB1 ALA A 52 36.569 2.623 -13.822 1.00 0.00 H new ATOM 0 HB2 ALA A 52 37.442 4.013 -13.135 1.00 0.00 H new ATOM 0 HB3 ALA A 52 36.520 4.200 -14.646 1.00 0.00 H new ATOM 759 N ARG A 53 37.902 1.130 -16.125 1.00 0.00 N ATOM 760 CA ARG A 53 37.497 0.361 -17.340 1.00 0.00 C ATOM 761 C ARG A 53 36.104 -0.215 -17.149 1.00 0.00 C ATOM 762 O ARG A 53 35.695 -0.563 -16.049 1.00 0.00 O ATOM 763 CB ARG A 53 38.489 -0.776 -17.555 1.00 0.00 C ATOM 764 CG ARG A 53 39.898 -0.205 -17.776 1.00 0.00 C ATOM 765 CD ARG A 53 40.043 0.320 -19.213 1.00 0.00 C ATOM 766 NE ARG A 53 41.464 0.715 -19.453 1.00 0.00 N ATOM 767 CZ ARG A 53 41.861 1.943 -19.249 1.00 0.00 C ATOM 768 NH1 ARG A 53 41.030 2.850 -18.812 1.00 0.00 N ATOM 769 NH2 ARG A 53 43.102 2.259 -19.485 1.00 0.00 N ATOM 0 H ARG A 53 38.135 0.558 -15.313 1.00 0.00 H new ATOM 0 HA ARG A 53 37.491 1.023 -18.206 1.00 0.00 H new ATOM 0 HB2 ARG A 53 38.488 -1.440 -16.691 1.00 0.00 H new ATOM 0 HB3 ARG A 53 38.190 -1.373 -18.416 1.00 0.00 H new ATOM 0 HG2 ARG A 53 40.086 0.601 -17.067 1.00 0.00 H new ATOM 0 HG3 ARG A 53 40.644 -0.977 -17.587 1.00 0.00 H new ATOM 0 HD2 ARG A 53 39.742 -0.448 -19.925 1.00 0.00 H new ATOM 0 HD3 ARG A 53 39.385 1.175 -19.368 1.00 0.00 H new ATOM 0 HE ARG A 53 42.132 0.017 -19.780 1.00 0.00 H new ATOM 0 HH11 ARG A 53 40.058 2.604 -18.626 1.00 0.00 H new ATOM 0 HH12 ARG A 53 41.353 3.805 -18.657 1.00 0.00 H new ATOM 0 HH21 ARG A 53 43.753 1.551 -19.825 1.00 0.00 H new ATOM 0 HH22 ARG A 53 43.423 3.214 -19.329 1.00 0.00 H new ATOM 783 N ARG A 54 35.368 -0.306 -18.224 1.00 0.00 N ATOM 784 CA ARG A 54 33.988 -0.843 -18.138 1.00 0.00 C ATOM 785 C ARG A 54 34.021 -2.374 -18.245 1.00 0.00 C ATOM 786 O ARG A 54 34.939 -2.939 -18.805 1.00 0.00 O ATOM 787 CB ARG A 54 33.151 -0.255 -19.288 1.00 0.00 C ATOM 788 CG ARG A 54 32.609 1.112 -18.872 1.00 0.00 C ATOM 789 CD ARG A 54 33.776 2.010 -18.461 1.00 0.00 C ATOM 790 NE ARG A 54 33.302 3.416 -18.343 1.00 0.00 N ATOM 791 CZ ARG A 54 34.161 4.390 -18.236 1.00 0.00 C ATOM 792 NH1 ARG A 54 35.441 4.141 -18.228 1.00 0.00 N ATOM 793 NH2 ARG A 54 33.735 5.617 -18.134 1.00 0.00 N ATOM 0 H ARG A 54 35.668 -0.030 -19.159 1.00 0.00 H new ATOM 0 HA ARG A 54 33.542 -0.566 -17.182 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.762 -0.159 -20.185 1.00 0.00 H new ATOM 0 HB3 ARG A 54 32.328 -0.926 -19.534 1.00 0.00 H new ATOM 0 HG2 ARG A 54 32.059 1.565 -19.697 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.909 1.003 -18.044 1.00 0.00 H new ATOM 0 HD2 ARG A 54 34.191 1.674 -17.511 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.576 1.945 -19.198 1.00 0.00 H new ATOM 0 HE ARG A 54 32.302 3.618 -18.346 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.774 3.180 -18.306 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.109 4.907 -18.144 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.734 5.811 -18.138 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.403 6.383 -18.050 1.00 0.00 H new ATOM 807 N PRO A 55 33.016 -3.041 -17.726 1.00 0.00 N ATOM 808 CA PRO A 55 32.931 -4.528 -17.784 1.00 0.00 C ATOM 809 C PRO A 55 33.251 -5.089 -19.181 1.00 0.00 C ATOM 810 O PRO A 55 32.887 -4.531 -20.197 1.00 0.00 O ATOM 811 CB PRO A 55 31.469 -4.823 -17.407 1.00 0.00 C ATOM 812 CG PRO A 55 31.024 -3.659 -16.575 1.00 0.00 C ATOM 813 CD PRO A 55 31.865 -2.453 -17.008 1.00 0.00 C ATOM 0 HA PRO A 55 33.659 -4.997 -17.122 1.00 0.00 H new ATOM 0 HB2 PRO A 55 30.849 -4.929 -18.297 1.00 0.00 H new ATOM 0 HB3 PRO A 55 31.389 -5.756 -16.850 1.00 0.00 H new ATOM 0 HG2 PRO A 55 29.962 -3.462 -16.723 1.00 0.00 H new ATOM 0 HG3 PRO A 55 31.165 -3.867 -15.514 1.00 0.00 H new ATOM 0 HD2 PRO A 55 31.296 -1.783 -17.652 1.00 0.00 H new ATOM 0 HD3 PRO A 55 32.191 -1.867 -16.148 1.00 0.00 H new ATOM 821 N GLU A 56 33.940 -6.194 -19.223 1.00 0.00 N ATOM 822 CA GLU A 56 34.299 -6.812 -20.530 1.00 0.00 C ATOM 823 C GLU A 56 33.043 -7.377 -21.201 1.00 0.00 C ATOM 824 O GLU A 56 32.145 -7.787 -20.484 1.00 0.00 O ATOM 825 CB GLU A 56 35.300 -7.943 -20.282 1.00 0.00 C ATOM 826 CG GLU A 56 36.611 -7.368 -19.733 1.00 0.00 C ATOM 827 CD GLU A 56 37.268 -6.485 -20.795 1.00 0.00 C ATOM 828 OE1 GLU A 56 36.922 -6.635 -21.956 1.00 0.00 O ATOM 829 OE2 GLU A 56 38.104 -5.674 -20.432 1.00 0.00 O ATOM 830 OXT GLU A 56 33.001 -7.393 -22.422 1.00 0.00 O ATOM 0 H GLU A 56 34.273 -6.700 -18.402 1.00 0.00 H new ATOM 0 HA GLU A 56 34.741 -6.060 -21.183 1.00 0.00 H new ATOM 0 HB2 GLU A 56 34.883 -8.661 -19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 56 35.490 -8.483 -21.210 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.416 -6.786 -18.832 1.00 0.00 H new ATOM 0 HG3 GLU A 56 37.285 -8.177 -19.451 1.00 0.00 H new TER 837 GLU A 56 HETATM 838 ZN ZN A 150 32.527 1.379 -6.794 1.00 0.00 ZN