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+ -114:sc= -1.12 (180deg=-3.83!) USER MOD Single : A 17 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-2.6!) USER MOD Single : A 30 THR OG1 : rot -50:sc= -0.627 USER MOD Single : A 32 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.7!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 40.908 -6.894 19.304 1.00 0.00 N ATOM 2 CA MET A 1 40.824 -6.238 17.969 1.00 0.00 C ATOM 3 C MET A 1 41.282 -7.223 16.891 1.00 0.00 C ATOM 4 O MET A 1 42.266 -7.000 16.215 1.00 0.00 O ATOM 5 CB MET A 1 41.724 -5.000 17.952 1.00 0.00 C ATOM 6 CG MET A 1 41.419 -4.161 16.710 1.00 0.00 C ATOM 7 SD MET A 1 42.559 -2.757 16.636 1.00 0.00 S ATOM 8 CE MET A 1 41.506 -1.658 15.656 1.00 0.00 C ATOM 0 H1 MET A 1 39.952 -7.006 19.697 1.00 0.00 H new ATOM 0 H2 MET A 1 41.353 -7.829 19.204 1.00 0.00 H new ATOM 0 H3 MET A 1 41.479 -6.306 19.944 1.00 0.00 H new ATOM 0 HA MET A 1 39.795 -5.938 17.772 1.00 0.00 H new ATOM 0 HB2 MET A 1 41.562 -4.407 18.852 1.00 0.00 H new ATOM 0 HB3 MET A 1 42.772 -5.300 17.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 41.518 -4.771 15.812 1.00 0.00 H new ATOM 0 HG3 MET A 1 40.389 -3.806 16.742 1.00 0.00 H new ATOM 0 HE1 MET A 1 42.023 -0.713 15.488 1.00 0.00 H new ATOM 0 HE2 MET A 1 41.284 -2.126 14.697 1.00 0.00 H new ATOM 0 HE3 MET A 1 40.576 -1.472 16.192 1.00 0.00 H new ATOM 20 N PRO A 2 40.564 -8.304 16.726 1.00 0.00 N ATOM 21 CA PRO A 2 40.894 -9.341 15.709 1.00 0.00 C ATOM 22 C PRO A 2 40.523 -8.862 14.304 1.00 0.00 C ATOM 23 O PRO A 2 40.809 -9.507 13.313 1.00 0.00 O ATOM 24 CB PRO A 2 40.045 -10.555 16.126 1.00 0.00 C ATOM 25 CG PRO A 2 38.889 -9.989 16.903 1.00 0.00 C ATOM 26 CD PRO A 2 39.357 -8.652 17.500 1.00 0.00 C ATOM 0 HA PRO A 2 41.959 -9.572 15.672 1.00 0.00 H new ATOM 0 HB2 PRO A 2 39.698 -11.109 15.254 1.00 0.00 H new ATOM 0 HB3 PRO A 2 40.625 -11.249 16.735 1.00 0.00 H new ATOM 0 HG2 PRO A 2 38.025 -9.840 16.255 1.00 0.00 H new ATOM 0 HG3 PRO A 2 38.581 -10.676 17.691 1.00 0.00 H new ATOM 0 HD2 PRO A 2 38.589 -7.884 17.404 1.00 0.00 H new ATOM 0 HD3 PRO A 2 39.581 -8.748 18.562 1.00 0.00 H new ATOM 34 N LEU A 3 39.883 -7.732 14.220 1.00 0.00 N ATOM 35 CA LEU A 3 39.480 -7.201 12.894 1.00 0.00 C ATOM 36 C LEU A 3 40.719 -6.822 12.082 1.00 0.00 C ATOM 37 O LEU A 3 41.645 -6.208 12.577 1.00 0.00 O ATOM 38 CB LEU A 3 38.585 -5.973 13.081 1.00 0.00 C ATOM 39 CG LEU A 3 38.187 -5.396 11.710 1.00 0.00 C ATOM 40 CD1 LEU A 3 37.461 -6.468 10.876 1.00 0.00 C ATOM 41 CD2 LEU A 3 37.269 -4.186 11.916 1.00 0.00 C ATOM 0 H LEU A 3 39.621 -7.152 15.017 1.00 0.00 H new ATOM 0 HA LEU A 3 38.927 -7.971 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 3 37.692 -6.246 13.643 1.00 0.00 H new ATOM 0 HB3 LEU A 3 39.109 -5.216 13.665 1.00 0.00 H new ATOM 0 HG LEU A 3 39.085 -5.085 11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 3 37.184 -6.050 9.908 1.00 0.00 H new ATOM 0 HD12 LEU A 3 38.122 -7.322 10.727 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.563 -6.792 11.402 1.00 0.00 H new ATOM 0 HD21 LEU A 3 36.986 -3.775 10.947 1.00 0.00 H new ATOM 0 HD22 LEU A 3 36.374 -4.496 12.455 1.00 0.00 H new ATOM 0 HD23 LEU A 3 37.794 -3.425 12.493 1.00 0.00 H new ATOM 53 N GLU A 4 40.733 -7.184 10.829 1.00 0.00 N ATOM 54 CA GLU A 4 41.895 -6.857 9.959 1.00 0.00 C ATOM 55 C GLU A 4 42.085 -5.341 9.874 1.00 0.00 C ATOM 56 O GLU A 4 41.151 -4.588 9.669 1.00 0.00 O ATOM 57 CB GLU A 4 41.651 -7.427 8.562 1.00 0.00 C ATOM 58 CG GLU A 4 41.701 -8.955 8.629 1.00 0.00 C ATOM 59 CD GLU A 4 41.375 -9.542 7.254 1.00 0.00 C ATOM 60 OE1 GLU A 4 41.144 -8.767 6.340 1.00 0.00 O ATOM 61 OE2 GLU A 4 41.362 -10.756 7.139 1.00 0.00 O ATOM 0 H GLU A 4 39.982 -7.697 10.368 1.00 0.00 H new ATOM 0 HA GLU A 4 42.797 -7.297 10.384 1.00 0.00 H new ATOM 0 HB2 GLU A 4 40.682 -7.099 8.186 1.00 0.00 H new ATOM 0 HB3 GLU A 4 42.405 -7.056 7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 4 42.690 -9.282 8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 4 40.989 -9.320 9.369 1.00 0.00 H new ATOM 68 N ALA A 5 43.300 -4.896 10.025 1.00 0.00 N ATOM 69 CA ALA A 5 43.592 -3.439 9.948 1.00 0.00 C ATOM 70 C ALA A 5 43.690 -3.025 8.478 1.00 0.00 C ATOM 71 O ALA A 5 43.814 -1.858 8.154 1.00 0.00 O ATOM 72 CB ALA A 5 44.922 -3.161 10.653 1.00 0.00 C ATOM 0 H ALA A 5 44.113 -5.487 10.201 1.00 0.00 H new ATOM 0 HA ALA A 5 42.798 -2.871 10.431 1.00 0.00 H new ATOM 0 HB1 ALA A 5 45.145 -2.095 10.602 1.00 0.00 H new ATOM 0 HB2 ALA A 5 44.852 -3.467 11.697 1.00 0.00 H new ATOM 0 HB3 ALA A 5 45.718 -3.722 10.163 1.00 0.00 H new ATOM 78 N GLY A 6 43.645 -3.982 7.588 1.00 0.00 N ATOM 79 CA GLY A 6 43.743 -3.672 6.128 1.00 0.00 C ATOM 80 C GLY A 6 42.910 -2.434 5.787 1.00 0.00 C ATOM 81 O GLY A 6 41.719 -2.379 6.029 1.00 0.00 O ATOM 0 H GLY A 6 43.544 -4.972 7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 6 44.785 -3.503 5.855 1.00 0.00 H new ATOM 0 HA3 GLY A 6 43.394 -4.524 5.545 1.00 0.00 H new ATOM 85 N LEU A 7 43.536 -1.442 5.219 1.00 0.00 N ATOM 86 CA LEU A 7 42.808 -0.196 4.854 1.00 0.00 C ATOM 87 C LEU A 7 41.849 -0.497 3.705 1.00 0.00 C ATOM 88 O LEU A 7 41.015 0.310 3.341 1.00 0.00 O ATOM 89 CB LEU A 7 43.825 0.857 4.408 1.00 0.00 C ATOM 90 CG LEU A 7 44.875 1.064 5.509 1.00 0.00 C ATOM 91 CD1 LEU A 7 45.899 2.108 5.047 1.00 0.00 C ATOM 92 CD2 LEU A 7 44.191 1.543 6.800 1.00 0.00 C ATOM 0 H LEU A 7 44.530 -1.442 4.990 1.00 0.00 H new ATOM 0 HA LEU A 7 42.245 0.175 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 7 44.310 0.540 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 7 43.318 1.798 4.194 1.00 0.00 H new ATOM 0 HG LEU A 7 45.383 0.120 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 7 46.645 2.256 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 7 46.389 1.759 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 7 45.391 3.052 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 7 44.941 1.688 7.577 1.00 0.00 H new ATOM 0 HD22 LEU A 7 43.677 2.486 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 7 43.469 0.795 7.128 1.00 0.00 H new ATOM 104 N LEU A 8 41.964 -1.658 3.134 1.00 0.00 N ATOM 105 CA LEU A 8 41.067 -2.032 2.007 1.00 0.00 C ATOM 106 C LEU A 8 39.628 -2.130 2.512 1.00 0.00 C ATOM 107 O LEU A 8 38.681 -1.873 1.793 1.00 0.00 O ATOM 108 CB LEU A 8 41.508 -3.385 1.441 1.00 0.00 C ATOM 109 CG LEU A 8 42.716 -3.188 0.511 1.00 0.00 C ATOM 110 CD1 LEU A 8 42.300 -2.424 -0.771 1.00 0.00 C ATOM 111 CD2 LEU A 8 43.802 -2.400 1.264 1.00 0.00 C ATOM 0 H LEU A 8 42.644 -2.370 3.399 1.00 0.00 H new ATOM 0 HA LEU A 8 41.122 -1.274 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 8 41.769 -4.063 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 8 40.686 -3.846 0.893 1.00 0.00 H new ATOM 0 HG LEU A 8 43.103 -4.163 0.214 1.00 0.00 H new ATOM 0 HD11 LEU A 8 43.169 -2.295 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 8 41.536 -2.992 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 8 41.902 -1.447 -0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 44.664 -2.255 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 8 43.406 -1.430 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 8 44.107 -2.957 2.150 1.00 0.00 H new ATOM 123 N GLU A 9 39.458 -2.519 3.739 1.00 0.00 N ATOM 124 CA GLU A 9 38.084 -2.653 4.294 1.00 0.00 C ATOM 125 C GLU A 9 37.384 -1.297 4.280 1.00 0.00 C ATOM 126 O GLU A 9 36.171 -1.212 4.245 1.00 0.00 O ATOM 127 CB GLU A 9 38.178 -3.155 5.734 1.00 0.00 C ATOM 128 CG GLU A 9 38.757 -4.570 5.750 1.00 0.00 C ATOM 129 CD GLU A 9 37.776 -5.531 5.074 1.00 0.00 C ATOM 130 OE1 GLU A 9 36.611 -5.184 4.981 1.00 0.00 O ATOM 131 OE2 GLU A 9 38.209 -6.593 4.660 1.00 0.00 O ATOM 0 H GLU A 9 40.212 -2.751 4.386 1.00 0.00 H new ATOM 0 HA GLU A 9 37.514 -3.357 3.687 1.00 0.00 H new ATOM 0 HB2 GLU A 9 38.808 -2.487 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 9 37.191 -3.150 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 9 39.716 -4.588 5.232 1.00 0.00 H new ATOM 0 HG3 GLU A 9 38.944 -4.886 6.776 1.00 0.00 H new ATOM 138 N ILE A 10 38.139 -0.233 4.308 1.00 0.00 N ATOM 139 CA ILE A 10 37.529 1.131 4.295 1.00 0.00 C ATOM 140 C ILE A 10 37.774 1.775 2.942 1.00 0.00 C ATOM 141 O ILE A 10 38.031 2.960 2.848 1.00 0.00 O ATOM 142 CB ILE A 10 38.161 1.980 5.402 1.00 0.00 C ATOM 143 CG1 ILE A 10 39.687 2.024 5.238 1.00 0.00 C ATOM 144 CG2 ILE A 10 37.818 1.361 6.756 1.00 0.00 C ATOM 145 CD1 ILE A 10 40.273 3.014 6.251 1.00 0.00 C ATOM 0 H ILE A 10 39.158 -0.248 4.340 1.00 0.00 H new ATOM 0 HA ILE A 10 36.455 1.059 4.469 1.00 0.00 H new ATOM 0 HB ILE A 10 37.772 2.996 5.340 1.00 0.00 H new ATOM 0 HG12 ILE A 10 40.111 1.032 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 10 39.947 2.326 4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 10 38.263 1.958 7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 10 36.736 1.338 6.882 1.00 0.00 H new ATOM 0 HG23 ILE A 10 38.210 0.345 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 10 41.357 3.050 6.140 1.00 0.00 H new ATOM 0 HD12 ILE A 10 39.857 4.006 6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 10 40.023 2.691 7.262 1.00 0.00 H new ATOM 157 N LEU A 11 37.701 1.003 1.883 1.00 0.00 N ATOM 158 CA LEU A 11 37.937 1.576 0.526 1.00 0.00 C ATOM 159 C LEU A 11 36.611 1.657 -0.221 1.00 0.00 C ATOM 160 O LEU A 11 35.955 0.660 -0.462 1.00 0.00 O ATOM 161 CB LEU A 11 38.918 0.678 -0.244 1.00 0.00 C ATOM 162 CG LEU A 11 39.694 1.517 -1.276 1.00 0.00 C ATOM 163 CD1 LEU A 11 38.700 2.245 -2.196 1.00 0.00 C ATOM 164 CD2 LEU A 11 40.598 2.548 -0.544 1.00 0.00 C ATOM 0 H LEU A 11 37.489 0.005 1.903 1.00 0.00 H new ATOM 0 HA LEU A 11 38.363 2.575 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 11 39.613 0.205 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 11 38.375 -0.122 -0.747 1.00 0.00 H new ATOM 0 HG LEU A 11 40.324 0.861 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 11 39.249 2.839 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 11 38.081 1.513 -2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 11 38.065 2.900 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 11 41.145 3.139 -1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 11 39.979 3.208 0.064 1.00 0.00 H new ATOM 0 HD23 LEU A 11 41.305 2.021 0.097 1.00 0.00 H new ATOM 176 N ALA A 12 36.221 2.845 -0.604 1.00 0.00 N ATOM 177 CA ALA A 12 34.944 3.031 -1.350 1.00 0.00 C ATOM 178 C ALA A 12 35.232 3.702 -2.688 1.00 0.00 C ATOM 179 O ALA A 12 35.929 4.698 -2.766 1.00 0.00 O ATOM 180 CB ALA A 12 34.005 3.904 -0.526 1.00 0.00 C ATOM 0 H ALA A 12 36.741 3.705 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 12 34.476 2.063 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.069 4.043 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 12 33.803 3.420 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.470 4.874 -0.350 1.00 0.00 H new ATOM 186 N CYS A 13 34.704 3.152 -3.744 1.00 0.00 N ATOM 187 CA CYS A 13 34.945 3.725 -5.095 1.00 0.00 C ATOM 188 C CYS A 13 34.458 5.193 -5.134 1.00 0.00 C ATOM 189 O CYS A 13 33.279 5.453 -5.025 1.00 0.00 O ATOM 190 CB CYS A 13 34.179 2.904 -6.142 1.00 0.00 C ATOM 191 SG CYS A 13 32.614 2.340 -5.445 1.00 0.00 S ATOM 0 H CYS A 13 34.111 2.323 -3.728 1.00 0.00 H new ATOM 0 HA CYS A 13 36.012 3.694 -5.315 1.00 0.00 H new ATOM 0 HB2 CYS A 13 33.996 3.509 -7.030 1.00 0.00 H new ATOM 0 HB3 CYS A 13 34.777 2.049 -6.457 1.00 0.00 H new ATOM 196 N PRO A 14 35.347 6.143 -5.309 1.00 0.00 N ATOM 197 CA PRO A 14 34.969 7.586 -5.370 1.00 0.00 C ATOM 198 C PRO A 14 33.820 7.826 -6.361 1.00 0.00 C ATOM 199 O PRO A 14 33.265 8.905 -6.437 1.00 0.00 O ATOM 200 CB PRO A 14 36.252 8.286 -5.855 1.00 0.00 C ATOM 201 CG PRO A 14 37.377 7.361 -5.510 1.00 0.00 C ATOM 202 CD PRO A 14 36.798 5.949 -5.464 1.00 0.00 C ATOM 0 HA PRO A 14 34.615 7.958 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 14 36.214 8.472 -6.928 1.00 0.00 H new ATOM 0 HB3 PRO A 14 36.378 9.253 -5.368 1.00 0.00 H new ATOM 0 HG2 PRO A 14 38.172 7.427 -6.253 1.00 0.00 H new ATOM 0 HG3 PRO A 14 37.815 7.629 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 14 37.028 5.397 -6.375 1.00 0.00 H new ATOM 0 HD3 PRO A 14 37.212 5.378 -4.633 1.00 0.00 H new ATOM 210 N ALA A 15 33.477 6.829 -7.129 1.00 0.00 N ATOM 211 CA ALA A 15 32.381 6.983 -8.134 1.00 0.00 C ATOM 212 C ALA A 15 31.087 6.361 -7.605 1.00 0.00 C ATOM 213 O ALA A 15 30.149 7.046 -7.247 1.00 0.00 O ATOM 214 CB ALA A 15 32.784 6.266 -9.421 1.00 0.00 C ATOM 0 H ALA A 15 33.911 5.906 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 15 32.217 8.044 -8.324 1.00 0.00 H new ATOM 0 HB1 ALA A 15 31.991 6.373 -10.161 1.00 0.00 H new ATOM 0 HB2 ALA A 15 33.703 6.704 -9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 15 32.946 5.208 -9.213 1.00 0.00 H new ATOM 220 N CYS A 16 31.029 5.058 -7.570 1.00 0.00 N ATOM 221 CA CYS A 16 29.799 4.362 -7.082 1.00 0.00 C ATOM 222 C CYS A 16 29.847 4.262 -5.550 1.00 0.00 C ATOM 223 O CYS A 16 28.861 3.959 -4.904 1.00 0.00 O ATOM 224 CB CYS A 16 29.719 2.947 -7.712 1.00 0.00 C ATOM 225 SG CYS A 16 31.157 2.660 -8.776 1.00 0.00 S ATOM 0 H CYS A 16 31.786 4.439 -7.860 1.00 0.00 H new ATOM 0 HA CYS A 16 28.914 4.927 -7.374 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.681 2.192 -6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 16 28.802 2.850 -8.293 1.00 0.00 H new ATOM 230 N HIS A 17 30.986 4.512 -4.972 1.00 0.00 N ATOM 231 CA HIS A 17 31.115 4.429 -3.492 1.00 0.00 C ATOM 232 C HIS A 17 30.662 3.054 -3.009 1.00 0.00 C ATOM 233 O HIS A 17 29.513 2.839 -2.669 1.00 0.00 O ATOM 234 CB HIS A 17 30.269 5.518 -2.834 1.00 0.00 C ATOM 235 CG HIS A 17 30.387 5.404 -1.342 1.00 0.00 C ATOM 236 ND1 HIS A 17 31.531 5.793 -0.660 1.00 0.00 N ATOM 237 CD2 HIS A 17 29.514 4.951 -0.384 1.00 0.00 C ATOM 238 CE1 HIS A 17 31.318 5.568 0.649 1.00 0.00 C ATOM 239 NE2 HIS A 17 30.105 5.057 0.869 1.00 0.00 N ATOM 0 H HIS A 17 31.840 4.772 -5.465 1.00 0.00 H new ATOM 0 HA HIS A 17 32.159 4.577 -3.216 1.00 0.00 H new ATOM 0 HB2 HIS A 17 30.603 6.502 -3.163 1.00 0.00 H new ATOM 0 HB3 HIS A 17 29.227 5.417 -3.137 1.00 0.00 H new ATOM 0 HD2 HIS A 17 28.521 4.571 -0.575 1.00 0.00 H new ATOM 0 HE1 HIS A 17 32.039 5.775 1.426 1.00 0.00 H new ATOM 0 HE2 HIS A 17 29.698 4.799 1.768 1.00 0.00 H new ATOM 247 N ALA A 18 31.567 2.122 -2.966 1.00 0.00 N ATOM 248 CA ALA A 18 31.207 0.766 -2.496 1.00 0.00 C ATOM 249 C ALA A 18 32.481 -0.089 -2.376 1.00 0.00 C ATOM 250 O ALA A 18 33.539 0.304 -2.827 1.00 0.00 O ATOM 251 CB ALA A 18 30.217 0.110 -3.484 1.00 0.00 C ATOM 0 H ALA A 18 32.543 2.244 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 18 30.729 0.837 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 18 29.957 -0.888 -3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 18 29.314 0.717 -3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.680 0.037 -4.468 1.00 0.00 H new ATOM 257 N PRO A 19 32.370 -1.256 -1.786 1.00 0.00 N ATOM 258 CA PRO A 19 33.521 -2.195 -1.612 1.00 0.00 C ATOM 259 C PRO A 19 34.132 -2.635 -2.950 1.00 0.00 C ATOM 260 O PRO A 19 33.485 -2.645 -3.986 1.00 0.00 O ATOM 261 CB PRO A 19 32.916 -3.401 -0.865 1.00 0.00 C ATOM 262 CG PRO A 19 31.650 -2.893 -0.257 1.00 0.00 C ATOM 263 CD PRO A 19 31.136 -1.818 -1.205 1.00 0.00 C ATOM 0 HA PRO A 19 34.341 -1.722 -1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.720 -4.228 -1.547 1.00 0.00 H new ATOM 0 HB3 PRO A 19 33.598 -3.773 -0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.921 -3.696 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.830 -2.484 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.485 -2.237 -1.972 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.559 -1.059 -0.677 1.00 0.00 H new ATOM 271 N LEU A 20 35.389 -2.989 -2.929 1.00 0.00 N ATOM 272 CA LEU A 20 36.082 -3.423 -4.176 1.00 0.00 C ATOM 273 C LEU A 20 36.466 -4.890 -4.068 1.00 0.00 C ATOM 274 O LEU A 20 36.737 -5.401 -2.996 1.00 0.00 O ATOM 275 CB LEU A 20 37.341 -2.585 -4.367 1.00 0.00 C ATOM 276 CG LEU A 20 36.967 -1.103 -4.335 1.00 0.00 C ATOM 277 CD1 LEU A 20 38.235 -0.258 -4.479 1.00 0.00 C ATOM 278 CD2 LEU A 20 36.003 -0.784 -5.488 1.00 0.00 C ATOM 0 H LEU A 20 35.971 -2.996 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 20 35.414 -3.288 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 20 38.063 -2.807 -3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 20 37.816 -2.832 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 20 36.479 -0.873 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 20 37.972 0.800 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 20 38.916 -0.480 -3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 20 38.722 -0.491 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 20 35.740 0.273 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 20 36.484 -1.013 -6.439 1.00 0.00 H new ATOM 0 HD23 LEU A 20 35.100 -1.385 -5.384 1.00 0.00 H new ATOM 290 N GLU A 21 36.492 -5.573 -5.184 1.00 0.00 N ATOM 291 CA GLU A 21 36.856 -7.019 -5.189 1.00 0.00 C ATOM 292 C GLU A 21 38.123 -7.209 -6.018 1.00 0.00 C ATOM 293 O GLU A 21 38.271 -6.655 -7.100 1.00 0.00 O ATOM 294 CB GLU A 21 35.715 -7.825 -5.802 1.00 0.00 C ATOM 295 CG GLU A 21 36.039 -9.313 -5.699 1.00 0.00 C ATOM 296 CD GLU A 21 34.884 -10.131 -6.274 1.00 0.00 C ATOM 297 OE1 GLU A 21 33.816 -9.567 -6.454 1.00 0.00 O ATOM 298 OE2 GLU A 21 35.084 -11.308 -6.521 1.00 0.00 O ATOM 0 H GLU A 21 36.274 -5.184 -6.101 1.00 0.00 H new ATOM 0 HA GLU A 21 37.031 -7.362 -4.169 1.00 0.00 H new ATOM 0 HB2 GLU A 21 34.781 -7.607 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 21 35.574 -7.543 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 21 36.959 -9.533 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU A 21 36.209 -9.587 -4.658 1.00 0.00 H new ATOM 305 N GLU A 22 39.046 -7.984 -5.505 1.00 0.00 N ATOM 306 CA GLU A 22 40.329 -8.231 -6.224 1.00 0.00 C ATOM 307 C GLU A 22 40.218 -9.478 -7.086 1.00 0.00 C ATOM 308 O GLU A 22 39.908 -10.554 -6.607 1.00 0.00 O ATOM 309 CB GLU A 22 41.450 -8.416 -5.201 1.00 0.00 C ATOM 310 CG GLU A 22 41.733 -7.076 -4.525 1.00 0.00 C ATOM 311 CD GLU A 22 42.719 -7.272 -3.374 1.00 0.00 C ATOM 312 OE1 GLU A 22 43.149 -8.393 -3.171 1.00 0.00 O ATOM 313 OE2 GLU A 22 43.026 -6.291 -2.716 1.00 0.00 O ATOM 0 H GLU A 22 38.962 -8.461 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 22 40.549 -7.378 -6.866 1.00 0.00 H new ATOM 0 HB2 GLU A 22 41.162 -9.159 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 22 42.350 -8.788 -5.692 1.00 0.00 H new ATOM 0 HG2 GLU A 22 42.142 -6.372 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 22 40.805 -6.644 -4.151 1.00 0.00 H new ATOM 320 N ARG A 23 40.483 -9.340 -8.360 1.00 0.00 N ATOM 321 CA ARG A 23 40.417 -10.512 -9.282 1.00 0.00 C ATOM 322 C ARG A 23 41.764 -10.680 -9.968 1.00 0.00 C ATOM 323 O ARG A 23 42.167 -9.857 -10.772 1.00 0.00 O ATOM 324 CB ARG A 23 39.332 -10.279 -10.332 1.00 0.00 C ATOM 325 CG ARG A 23 39.066 -11.588 -11.078 1.00 0.00 C ATOM 326 CD ARG A 23 37.955 -11.384 -12.110 1.00 0.00 C ATOM 327 NE ARG A 23 38.419 -10.425 -13.159 1.00 0.00 N ATOM 328 CZ ARG A 23 39.087 -10.850 -14.197 1.00 0.00 C ATOM 329 NH1 ARG A 23 39.373 -12.119 -14.324 1.00 0.00 N ATOM 330 NH2 ARG A 23 39.476 -10.003 -15.109 1.00 0.00 N ATOM 0 H ARG A 23 40.744 -8.459 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 23 40.178 -11.412 -8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 23 38.418 -9.926 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 23 39.646 -9.505 -11.032 1.00 0.00 H new ATOM 0 HG2 ARG A 23 39.976 -11.926 -11.573 1.00 0.00 H new ATOM 0 HG3 ARG A 23 38.779 -12.367 -10.372 1.00 0.00 H new ATOM 0 HD2 ARG A 23 37.688 -12.337 -12.566 1.00 0.00 H new ATOM 0 HD3 ARG A 23 37.058 -11.001 -11.623 1.00 0.00 H new ATOM 0 HE ARG A 23 38.212 -9.431 -13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 23 39.074 -12.783 -13.610 1.00 0.00 H new ATOM 0 HH12 ARG A 23 39.895 -12.445 -15.137 1.00 0.00 H new ATOM 0 HH21 ARG A 23 39.258 -9.011 -15.010 1.00 0.00 H new ATOM 0 HH22 ARG A 23 39.998 -10.332 -15.921 1.00 0.00 H new ATOM 344 N ASP A 24 42.451 -11.751 -9.656 1.00 0.00 N ATOM 345 CA ASP A 24 43.781 -12.019 -10.274 1.00 0.00 C ATOM 346 C ASP A 24 44.704 -10.820 -10.078 1.00 0.00 C ATOM 347 O ASP A 24 45.464 -10.751 -9.131 1.00 0.00 O ATOM 348 CB ASP A 24 43.609 -12.284 -11.770 1.00 0.00 C ATOM 349 CG ASP A 24 42.957 -13.650 -11.977 1.00 0.00 C ATOM 350 OD1 ASP A 24 42.831 -14.378 -11.005 1.00 0.00 O ATOM 351 OD2 ASP A 24 42.591 -13.946 -13.102 1.00 0.00 O ATOM 0 H ASP A 24 42.140 -12.459 -8.990 1.00 0.00 H new ATOM 0 HA ASP A 24 44.222 -12.893 -9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 24 42.994 -11.504 -12.219 1.00 0.00 H new ATOM 0 HB3 ASP A 24 44.578 -12.253 -12.269 1.00 0.00 H new ATOM 356 N ALA A 25 44.651 -9.877 -10.976 1.00 0.00 N ATOM 357 CA ALA A 25 45.523 -8.676 -10.867 1.00 0.00 C ATOM 358 C ALA A 25 44.716 -7.444 -11.261 1.00 0.00 C ATOM 359 O ALA A 25 45.248 -6.467 -11.751 1.00 0.00 O ATOM 360 CB ALA A 25 46.718 -8.834 -11.808 1.00 0.00 C ATOM 0 H ALA A 25 44.035 -9.888 -11.789 1.00 0.00 H new ATOM 0 HA ALA A 25 45.884 -8.566 -9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 25 47.360 -7.956 -11.732 1.00 0.00 H new ATOM 0 HB2 ALA A 25 47.284 -9.723 -11.531 1.00 0.00 H new ATOM 0 HB3 ALA A 25 46.363 -8.935 -12.833 1.00 0.00 H new ATOM 366 N GLU A 26 43.425 -7.487 -11.053 1.00 0.00 N ATOM 367 CA GLU A 26 42.561 -6.319 -11.417 1.00 0.00 C ATOM 368 C GLU A 26 41.540 -6.067 -10.317 1.00 0.00 C ATOM 369 O GLU A 26 41.176 -6.960 -9.558 1.00 0.00 O ATOM 370 CB GLU A 26 41.829 -6.600 -12.726 1.00 0.00 C ATOM 371 CG GLU A 26 42.842 -6.631 -13.868 1.00 0.00 C ATOM 372 CD GLU A 26 42.130 -6.988 -15.171 1.00 0.00 C ATOM 373 OE1 GLU A 26 40.930 -7.198 -15.129 1.00 0.00 O ATOM 374 OE2 GLU A 26 42.799 -7.045 -16.189 1.00 0.00 O ATOM 0 H GLU A 26 42.929 -8.280 -10.646 1.00 0.00 H new ATOM 0 HA GLU A 26 43.193 -5.439 -11.536 1.00 0.00 H new ATOM 0 HB2 GLU A 26 41.302 -7.552 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 26 41.079 -5.831 -12.910 1.00 0.00 H new ATOM 0 HG2 GLU A 26 43.330 -5.661 -13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 26 43.623 -7.361 -13.656 1.00 0.00 H new ATOM 381 N LEU A 27 41.072 -4.840 -10.220 1.00 0.00 N ATOM 382 CA LEU A 27 40.078 -4.485 -9.166 1.00 0.00 C ATOM 383 C LEU A 27 38.702 -4.335 -9.781 1.00 0.00 C ATOM 384 O LEU A 27 38.526 -3.720 -10.816 1.00 0.00 O ATOM 385 CB LEU A 27 40.505 -3.171 -8.494 1.00 0.00 C ATOM 386 CG LEU A 27 41.508 -3.450 -7.362 1.00 0.00 C ATOM 387 CD1 LEU A 27 40.788 -4.085 -6.160 1.00 0.00 C ATOM 388 CD2 LEU A 27 42.618 -4.387 -7.869 1.00 0.00 C ATOM 0 H LEU A 27 41.341 -4.070 -10.832 1.00 0.00 H new ATOM 0 HA LEU A 27 40.038 -5.278 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.955 -2.507 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 27 39.630 -2.658 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 27 41.955 -2.508 -7.044 1.00 0.00 H new ATOM 0 HD11 LEU A 27 41.508 -4.278 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 27 40.019 -3.404 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 27 40.326 -5.023 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 27 43.326 -4.582 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 27 42.177 -5.327 -8.200 1.00 0.00 H new ATOM 0 HD23 LEU A 27 43.138 -3.917 -8.703 1.00 0.00 H new ATOM 400 N ILE A 28 37.719 -4.912 -9.134 1.00 0.00 N ATOM 401 CA ILE A 28 36.323 -4.834 -9.645 1.00 0.00 C ATOM 402 C ILE A 28 35.423 -4.173 -8.606 1.00 0.00 C ATOM 403 O ILE A 28 35.404 -4.547 -7.442 1.00 0.00 O ATOM 404 CB ILE A 28 35.823 -6.237 -9.962 1.00 0.00 C ATOM 405 CG1 ILE A 28 36.653 -6.807 -11.117 1.00 0.00 C ATOM 406 CG2 ILE A 28 34.351 -6.169 -10.366 1.00 0.00 C ATOM 407 CD1 ILE A 28 36.312 -8.283 -11.313 1.00 0.00 C ATOM 0 H ILE A 28 37.829 -5.437 -8.267 1.00 0.00 H new ATOM 0 HA ILE A 28 36.301 -4.232 -10.554 1.00 0.00 H new ATOM 0 HB ILE A 28 35.924 -6.879 -9.087 1.00 0.00 H new ATOM 0 HG12 ILE A 28 36.450 -6.252 -12.033 1.00 0.00 H new ATOM 0 HG13 ILE A 28 37.716 -6.694 -10.905 1.00 0.00 H new ATOM 0 HG21 ILE A 28 33.990 -7.172 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE A 28 33.768 -5.751 -9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 28 34.244 -5.536 -11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 28 36.903 -8.687 -12.135 1.00 0.00 H new ATOM 0 HD12 ILE A 28 36.537 -8.833 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 28 35.252 -8.384 -11.545 1.00 0.00 H new ATOM 419 N CYS A 29 34.675 -3.184 -9.029 1.00 0.00 N ATOM 420 CA CYS A 29 33.763 -2.470 -8.093 1.00 0.00 C ATOM 421 C CYS A 29 32.674 -3.432 -7.620 1.00 0.00 C ATOM 422 O CYS A 29 31.981 -4.039 -8.415 1.00 0.00 O ATOM 423 CB CYS A 29 33.148 -1.262 -8.828 1.00 0.00 C ATOM 424 SG CYS A 29 33.854 0.275 -8.189 1.00 0.00 S ATOM 0 H CYS A 29 34.660 -2.841 -9.990 1.00 0.00 H new ATOM 0 HA CYS A 29 34.310 -2.113 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 29 33.338 -1.342 -9.898 1.00 0.00 H new ATOM 0 HB3 CYS A 29 32.066 -1.258 -8.696 1.00 0.00 H new ATOM 429 N THR A 30 32.523 -3.580 -6.325 1.00 0.00 N ATOM 430 CA THR A 30 31.492 -4.502 -5.779 1.00 0.00 C ATOM 431 C THR A 30 30.399 -3.700 -5.077 1.00 0.00 C ATOM 432 O THR A 30 30.662 -2.891 -4.211 1.00 0.00 O ATOM 433 CB THR A 30 32.159 -5.455 -4.782 1.00 0.00 C ATOM 434 OG1 THR A 30 33.495 -5.694 -5.192 1.00 0.00 O ATOM 435 CG2 THR A 30 31.387 -6.776 -4.739 1.00 0.00 C ATOM 0 H THR A 30 33.078 -3.094 -5.621 1.00 0.00 H new ATOM 0 HA THR A 30 31.041 -5.073 -6.591 1.00 0.00 H new ATOM 0 HB THR A 30 32.156 -5.008 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 30 33.506 -5.948 -6.138 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.863 -7.453 -4.029 1.00 0.00 H new ATOM 0 HG22 THR A 30 30.360 -6.587 -4.427 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.388 -7.230 -5.730 1.00 0.00 H new ATOM 443 N GLY A 31 29.175 -3.933 -5.444 1.00 0.00 N ATOM 444 CA GLY A 31 28.051 -3.205 -4.798 1.00 0.00 C ATOM 445 C GLY A 31 26.793 -3.322 -5.657 1.00 0.00 C ATOM 446 O GLY A 31 26.751 -4.051 -6.630 1.00 0.00 O ATOM 0 H GLY A 31 28.902 -4.599 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.864 -3.615 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.315 -2.156 -4.665 1.00 0.00 H new ATOM 450 N GLN A 32 25.765 -2.608 -5.295 1.00 0.00 N ATOM 451 CA GLN A 32 24.493 -2.659 -6.070 1.00 0.00 C ATOM 452 C GLN A 32 24.658 -1.916 -7.398 1.00 0.00 C ATOM 453 O GLN A 32 24.455 -2.463 -8.465 1.00 0.00 O ATOM 454 CB GLN A 32 23.390 -1.982 -5.256 1.00 0.00 C ATOM 455 CG GLN A 32 22.074 -2.043 -6.031 1.00 0.00 C ATOM 456 CD GLN A 32 20.930 -1.538 -5.151 1.00 0.00 C ATOM 457 OE1 GLN A 32 21.070 -1.442 -3.945 1.00 0.00 O ATOM 458 NE2 GLN A 32 19.796 -1.211 -5.705 1.00 0.00 N ATOM 0 H GLN A 32 25.751 -1.985 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 32 24.234 -3.699 -6.270 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.279 -2.477 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 32 23.657 -0.945 -5.053 1.00 0.00 H new ATOM 0 HG2 GLN A 32 22.145 -1.437 -6.934 1.00 0.00 H new ATOM 0 HG3 GLN A 32 21.876 -3.067 -6.349 1.00 0.00 H new ATOM 0 HE21 GLN A 32 19.680 -1.292 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 32 19.025 -0.874 -5.128 1.00 0.00 H new ATOM 467 N ASP A 33 25.021 -0.665 -7.339 1.00 0.00 N ATOM 468 CA ASP A 33 25.201 0.131 -8.589 1.00 0.00 C ATOM 469 C ASP A 33 26.646 -0.011 -9.068 1.00 0.00 C ATOM 470 O ASP A 33 27.071 0.631 -10.010 1.00 0.00 O ATOM 471 CB ASP A 33 24.896 1.604 -8.297 1.00 0.00 C ATOM 472 CG ASP A 33 23.409 1.767 -7.981 1.00 0.00 C ATOM 473 OD1 ASP A 33 22.660 0.846 -8.262 1.00 0.00 O ATOM 474 OD2 ASP A 33 23.043 2.810 -7.464 1.00 0.00 O ATOM 0 H ASP A 33 25.202 -0.155 -6.474 1.00 0.00 H new ATOM 0 HA ASP A 33 24.524 -0.232 -9.362 1.00 0.00 H new ATOM 0 HB2 ASP A 33 25.497 1.950 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 33 25.165 2.219 -9.156 1.00 0.00 H new ATOM 479 N CYS A 34 27.406 -0.847 -8.421 1.00 0.00 N ATOM 480 CA CYS A 34 28.827 -1.038 -8.818 1.00 0.00 C ATOM 481 C CYS A 34 28.914 -1.977 -10.024 1.00 0.00 C ATOM 482 O CYS A 34 27.956 -2.618 -10.411 1.00 0.00 O ATOM 483 CB CYS A 34 29.601 -1.639 -7.631 1.00 0.00 C ATOM 484 SG CYS A 34 30.528 -0.336 -6.777 1.00 0.00 S ATOM 0 H CYS A 34 27.101 -1.411 -7.628 1.00 0.00 H new ATOM 0 HA CYS A 34 29.261 -0.077 -9.093 1.00 0.00 H new ATOM 0 HB2 CYS A 34 28.908 -2.118 -6.939 1.00 0.00 H new ATOM 0 HB3 CYS A 34 30.284 -2.412 -7.984 1.00 0.00 H new ATOM 489 N GLY A 35 30.072 -2.056 -10.612 1.00 0.00 N ATOM 490 CA GLY A 35 30.268 -2.942 -11.793 1.00 0.00 C ATOM 491 C GLY A 35 31.498 -2.470 -12.574 1.00 0.00 C ATOM 492 O GLY A 35 31.968 -3.137 -13.478 1.00 0.00 O ATOM 0 H GLY A 35 30.902 -1.539 -10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 35 30.401 -3.975 -11.471 1.00 0.00 H new ATOM 0 HA3 GLY A 35 29.385 -2.918 -12.432 1.00 0.00 H new ATOM 496 N LEU A 36 32.017 -1.321 -12.237 1.00 0.00 N ATOM 497 CA LEU A 36 33.208 -0.788 -12.957 1.00 0.00 C ATOM 498 C LEU A 36 34.451 -1.605 -12.617 1.00 0.00 C ATOM 499 O LEU A 36 34.523 -2.278 -11.598 1.00 0.00 O ATOM 500 CB LEU A 36 33.436 0.668 -12.551 1.00 0.00 C ATOM 501 CG LEU A 36 32.169 1.482 -12.835 1.00 0.00 C ATOM 502 CD1 LEU A 36 32.382 2.928 -12.374 1.00 0.00 C ATOM 503 CD2 LEU A 36 31.856 1.457 -14.341 1.00 0.00 C ATOM 0 H LEU A 36 31.664 -0.725 -11.488 1.00 0.00 H new ATOM 0 HA LEU A 36 33.026 -0.854 -14.030 1.00 0.00 H new ATOM 0 HB2 LEU A 36 33.689 0.726 -11.492 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.279 1.083 -13.103 1.00 0.00 H new ATOM 0 HG LEU A 36 31.330 1.046 -12.293 1.00 0.00 H new ATOM 0 HD11 LEU A 36 31.483 3.510 -12.575 1.00 0.00 H new ATOM 0 HD12 LEU A 36 32.592 2.942 -11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.223 3.362 -12.915 1.00 0.00 H new ATOM 0 HD21 LEU A 36 30.954 2.038 -14.535 1.00 0.00 H new ATOM 0 HD22 LEU A 36 32.691 1.888 -14.893 1.00 0.00 H new ATOM 0 HD23 LEU A 36 31.701 0.427 -14.663 1.00 0.00 H new ATOM 515 N ALA A 37 35.438 -1.559 -13.476 1.00 0.00 N ATOM 516 CA ALA A 37 36.690 -2.327 -13.233 1.00 0.00 C ATOM 517 C ALA A 37 37.887 -1.399 -13.329 1.00 0.00 C ATOM 518 O ALA A 37 37.904 -0.446 -14.099 1.00 0.00 O ATOM 519 CB ALA A 37 36.815 -3.432 -14.276 1.00 0.00 C ATOM 0 H ALA A 37 35.427 -1.018 -14.340 1.00 0.00 H new ATOM 0 HA ALA A 37 36.657 -2.768 -12.237 1.00 0.00 H new ATOM 0 HB1 ALA A 37 37.731 -3.996 -14.100 1.00 0.00 H new ATOM 0 HB2 ALA A 37 35.957 -4.101 -14.202 1.00 0.00 H new ATOM 0 HB3 ALA A 37 36.846 -2.990 -15.272 1.00 0.00 H new ATOM 525 N TYR A 38 38.897 -1.673 -12.537 1.00 0.00 N ATOM 526 CA TYR A 38 40.130 -0.836 -12.544 1.00 0.00 C ATOM 527 C TYR A 38 41.370 -1.747 -12.645 1.00 0.00 C ATOM 528 O TYR A 38 41.504 -2.699 -11.886 1.00 0.00 O ATOM 529 CB TYR A 38 40.206 -0.023 -11.259 1.00 0.00 C ATOM 530 CG TYR A 38 39.030 0.916 -11.205 1.00 0.00 C ATOM 531 CD1 TYR A 38 37.783 0.442 -10.788 1.00 0.00 C ATOM 532 CD2 TYR A 38 39.184 2.256 -11.575 1.00 0.00 C ATOM 533 CE1 TYR A 38 36.688 1.308 -10.736 1.00 0.00 C ATOM 534 CE2 TYR A 38 38.088 3.125 -11.523 1.00 0.00 C ATOM 535 CZ TYR A 38 36.839 2.650 -11.105 1.00 0.00 C ATOM 536 OH TYR A 38 35.758 3.506 -11.052 1.00 0.00 O ATOM 0 H TYR A 38 38.915 -2.452 -11.879 1.00 0.00 H new ATOM 0 HA TYR A 38 40.101 -0.161 -13.399 1.00 0.00 H new ATOM 0 HB2 TYR A 38 40.200 -0.685 -10.393 1.00 0.00 H new ATOM 0 HB3 TYR A 38 41.139 0.539 -11.223 1.00 0.00 H new ATOM 0 HD1 TYR A 38 37.666 -0.594 -10.506 1.00 0.00 H new ATOM 0 HD2 TYR A 38 40.147 2.620 -11.900 1.00 0.00 H new ATOM 0 HE1 TYR A 38 35.725 0.942 -10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.206 4.161 -11.805 1.00 0.00 H new ATOM 0 HH TYR A 38 36.035 4.401 -11.340 1.00 0.00 H new ATOM 546 N PRO A 39 42.271 -1.468 -13.566 1.00 0.00 N ATOM 547 CA PRO A 39 43.509 -2.278 -13.748 1.00 0.00 C ATOM 548 C PRO A 39 44.557 -1.990 -12.668 1.00 0.00 C ATOM 549 O PRO A 39 44.483 -1.004 -11.951 1.00 0.00 O ATOM 550 CB PRO A 39 44.015 -1.855 -15.132 1.00 0.00 C ATOM 551 CG PRO A 39 43.548 -0.446 -15.289 1.00 0.00 C ATOM 552 CD PRO A 39 42.220 -0.354 -14.537 1.00 0.00 C ATOM 0 HA PRO A 39 43.314 -3.347 -13.668 1.00 0.00 H new ATOM 0 HB2 PRO A 39 45.101 -1.922 -15.195 1.00 0.00 H new ATOM 0 HB3 PRO A 39 43.611 -2.496 -15.915 1.00 0.00 H new ATOM 0 HG2 PRO A 39 44.277 0.254 -14.880 1.00 0.00 H new ATOM 0 HG3 PRO A 39 43.418 -0.193 -16.341 1.00 0.00 H new ATOM 0 HD2 PRO A 39 42.114 0.607 -14.034 1.00 0.00 H new ATOM 0 HD3 PRO A 39 41.372 -0.455 -15.214 1.00 0.00 H new ATOM 560 N VAL A 40 45.534 -2.851 -12.552 1.00 0.00 N ATOM 561 CA VAL A 40 46.607 -2.659 -11.534 1.00 0.00 C ATOM 562 C VAL A 40 47.900 -2.261 -12.233 1.00 0.00 C ATOM 563 O VAL A 40 48.306 -2.862 -13.211 1.00 0.00 O ATOM 564 CB VAL A 40 46.820 -3.963 -10.764 1.00 0.00 C ATOM 565 CG1 VAL A 40 48.082 -3.852 -9.901 1.00 0.00 C ATOM 566 CG2 VAL A 40 45.607 -4.215 -9.866 1.00 0.00 C ATOM 0 H VAL A 40 45.634 -3.688 -13.126 1.00 0.00 H new ATOM 0 HA VAL A 40 46.314 -1.873 -10.838 1.00 0.00 H new ATOM 0 HB VAL A 40 46.938 -4.789 -11.466 1.00 0.00 H new ATOM 0 HG11 VAL A 40 48.231 -4.783 -9.353 1.00 0.00 H new ATOM 0 HG12 VAL A 40 48.945 -3.665 -10.540 1.00 0.00 H new ATOM 0 HG13 VAL A 40 47.969 -3.030 -9.195 1.00 0.00 H new ATOM 0 HG21 VAL A 40 45.750 -5.143 -9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 40 45.496 -3.388 -9.165 1.00 0.00 H new ATOM 0 HG23 VAL A 40 44.710 -4.293 -10.480 1.00 0.00 H new ATOM 576 N ARG A 41 48.549 -1.239 -11.733 1.00 0.00 N ATOM 577 CA ARG A 41 49.826 -0.767 -12.350 1.00 0.00 C ATOM 578 C ARG A 41 50.947 -0.789 -11.314 1.00 0.00 C ATOM 579 O ARG A 41 50.830 -0.253 -10.229 1.00 0.00 O ATOM 580 CB ARG A 41 49.635 0.656 -12.875 1.00 0.00 C ATOM 581 CG ARG A 41 50.916 1.112 -13.577 1.00 0.00 C ATOM 582 CD ARG A 41 50.704 2.496 -14.195 1.00 0.00 C ATOM 583 NE ARG A 41 50.477 3.496 -13.109 1.00 0.00 N ATOM 584 CZ ARG A 41 50.179 4.733 -13.404 1.00 0.00 C ATOM 585 NH1 ARG A 41 50.083 5.106 -14.651 1.00 0.00 N ATOM 586 NH2 ARG A 41 49.980 5.598 -12.449 1.00 0.00 N ATOM 0 H ARG A 41 48.246 -0.707 -10.917 1.00 0.00 H new ATOM 0 HA ARG A 41 50.096 -1.428 -13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 41 48.795 0.690 -13.568 1.00 0.00 H new ATOM 0 HB3 ARG A 41 49.397 1.331 -12.052 1.00 0.00 H new ATOM 0 HG2 ARG A 41 51.740 1.144 -12.865 1.00 0.00 H new ATOM 0 HG3 ARG A 41 51.192 0.396 -14.351 1.00 0.00 H new ATOM 0 HD2 ARG A 41 51.574 2.778 -14.788 1.00 0.00 H new ATOM 0 HD3 ARG A 41 49.849 2.477 -14.871 1.00 0.00 H new ATOM 0 HE ARG A 41 50.555 3.212 -12.133 1.00 0.00 H new ATOM 0 HH11 ARG A 41 50.241 4.431 -15.399 1.00 0.00 H new ATOM 0 HH12 ARG A 41 49.850 6.073 -14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 41 50.057 5.308 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 41 49.747 6.565 -12.677 1.00 0.00 H new ATOM 600 N ASP A 42 52.041 -1.410 -11.655 1.00 0.00 N ATOM 601 CA ASP A 42 53.201 -1.487 -10.724 1.00 0.00 C ATOM 602 C ASP A 42 52.771 -2.140 -9.408 1.00 0.00 C ATOM 603 O ASP A 42 53.324 -1.882 -8.355 1.00 0.00 O ATOM 604 CB ASP A 42 53.745 -0.080 -10.469 1.00 0.00 C ATOM 605 CG ASP A 42 55.089 -0.181 -9.748 1.00 0.00 C ATOM 606 OD1 ASP A 42 55.453 -1.281 -9.365 1.00 0.00 O ATOM 607 OD2 ASP A 42 55.739 0.842 -9.602 1.00 0.00 O ATOM 0 H ASP A 42 52.183 -1.874 -12.552 1.00 0.00 H new ATOM 0 HA ASP A 42 53.987 -2.095 -11.172 1.00 0.00 H new ATOM 0 HB2 ASP A 42 53.865 0.453 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 42 53.039 0.492 -9.867 1.00 0.00 H new ATOM 612 N GLY A 43 51.790 -2.997 -9.467 1.00 0.00 N ATOM 613 CA GLY A 43 51.320 -3.683 -8.236 1.00 0.00 C ATOM 614 C GLY A 43 50.398 -2.754 -7.464 1.00 0.00 C ATOM 615 O GLY A 43 49.951 -3.080 -6.379 1.00 0.00 O ATOM 0 H GLY A 43 51.293 -3.251 -10.320 1.00 0.00 H new ATOM 0 HA2 GLY A 43 50.795 -4.602 -8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.171 -3.967 -7.617 1.00 0.00 H new ATOM 619 N ILE A 44 50.106 -1.594 -8.006 1.00 0.00 N ATOM 620 CA ILE A 44 49.208 -0.636 -7.293 1.00 0.00 C ATOM 621 C ILE A 44 47.894 -0.474 -8.083 1.00 0.00 C ATOM 622 O ILE A 44 47.914 -0.260 -9.283 1.00 0.00 O ATOM 623 CB ILE A 44 49.897 0.719 -7.181 1.00 0.00 C ATOM 624 CG1 ILE A 44 51.281 0.516 -6.563 1.00 0.00 C ATOM 625 CG2 ILE A 44 49.069 1.636 -6.276 1.00 0.00 C ATOM 626 CD1 ILE A 44 51.999 1.859 -6.466 1.00 0.00 C ATOM 0 H ILE A 44 50.452 -1.272 -8.910 1.00 0.00 H new ATOM 0 HA ILE A 44 48.990 -1.020 -6.296 1.00 0.00 H new ATOM 0 HB ILE A 44 49.991 1.172 -8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 44 51.187 0.070 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 44 51.864 -0.177 -7.170 1.00 0.00 H new ATOM 0 HG21 ILE A 44 49.560 2.606 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 44 48.075 1.767 -6.703 1.00 0.00 H new ATOM 0 HG23 ILE A 44 48.983 1.188 -5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 44 52.985 1.713 -6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 44 52.106 2.287 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 44 51.419 2.537 -5.840 1.00 0.00 H new ATOM 638 N PRO A 45 46.756 -0.576 -7.422 1.00 0.00 N ATOM 639 CA PRO A 45 45.426 -0.432 -8.084 1.00 0.00 C ATOM 640 C PRO A 45 45.143 1.005 -8.528 1.00 0.00 C ATOM 641 O PRO A 45 45.530 1.960 -7.881 1.00 0.00 O ATOM 642 CB PRO A 45 44.426 -0.900 -7.015 1.00 0.00 C ATOM 643 CG PRO A 45 45.117 -0.687 -5.707 1.00 0.00 C ATOM 644 CD PRO A 45 46.612 -0.838 -5.975 1.00 0.00 C ATOM 0 HA PRO A 45 45.366 -1.015 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 45 43.499 -0.329 -7.067 1.00 0.00 H new ATOM 0 HB3 PRO A 45 44.163 -1.949 -7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 45 44.893 0.302 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 45 44.780 -1.414 -4.968 1.00 0.00 H new ATOM 0 HD2 PRO A 45 47.195 -0.132 -5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 45 46.963 -1.837 -5.715 1.00 0.00 H new ATOM 652 N VAL A 46 44.466 1.164 -9.632 1.00 0.00 N ATOM 653 CA VAL A 46 44.152 2.535 -10.120 1.00 0.00 C ATOM 654 C VAL A 46 42.823 2.998 -9.524 1.00 0.00 C ATOM 655 O VAL A 46 41.801 2.356 -9.672 1.00 0.00 O ATOM 656 CB VAL A 46 44.045 2.515 -11.642 1.00 0.00 C ATOM 657 CG1 VAL A 46 43.698 3.917 -12.149 1.00 0.00 C ATOM 658 CG2 VAL A 46 45.385 2.070 -12.231 1.00 0.00 C ATOM 0 H VAL A 46 44.117 0.404 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 46 44.943 3.220 -9.816 1.00 0.00 H new ATOM 0 HB VAL A 46 43.262 1.821 -11.948 1.00 0.00 H new ATOM 0 HG11 VAL A 46 43.622 3.902 -13.236 1.00 0.00 H new ATOM 0 HG12 VAL A 46 42.746 4.233 -11.723 1.00 0.00 H new ATOM 0 HG13 VAL A 46 44.479 4.616 -11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 46 45.317 2.053 -13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 46 46.166 2.768 -11.927 1.00 0.00 H new ATOM 0 HG23 VAL A 46 45.629 1.072 -11.867 1.00 0.00 H new ATOM 668 N LEU A 47 42.835 4.120 -8.853 1.00 0.00 N ATOM 669 CA LEU A 47 41.589 4.665 -8.232 1.00 0.00 C ATOM 670 C LEU A 47 41.173 5.924 -8.987 1.00 0.00 C ATOM 671 O LEU A 47 40.613 6.847 -8.422 1.00 0.00 O ATOM 672 CB LEU A 47 41.871 5.006 -6.769 1.00 0.00 C ATOM 673 CG LEU A 47 42.482 3.784 -6.073 1.00 0.00 C ATOM 674 CD1 LEU A 47 42.805 4.135 -4.619 1.00 0.00 C ATOM 675 CD2 LEU A 47 41.489 2.611 -6.114 1.00 0.00 C ATOM 0 H LEU A 47 43.667 4.691 -8.706 1.00 0.00 H new ATOM 0 HA LEU A 47 40.787 3.929 -8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 47 42.553 5.854 -6.706 1.00 0.00 H new ATOM 0 HB3 LEU A 47 40.949 5.301 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 47 43.398 3.495 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 47 43.239 3.267 -4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 47 43.516 4.961 -4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 47 41.890 4.427 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 47 41.928 1.745 -5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 47 40.569 2.895 -5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 47 41.265 2.360 -7.151 1.00 0.00 H new ATOM 687 N LEU A 48 41.441 5.972 -10.267 1.00 0.00 N ATOM 688 CA LEU A 48 41.068 7.172 -11.075 1.00 0.00 C ATOM 689 C LEU A 48 39.813 6.868 -11.888 1.00 0.00 C ATOM 690 O LEU A 48 39.695 5.840 -12.528 1.00 0.00 O ATOM 691 CB LEU A 48 42.219 7.529 -12.021 1.00 0.00 C ATOM 692 CG LEU A 48 43.501 7.740 -11.208 1.00 0.00 C ATOM 693 CD1 LEU A 48 44.659 8.051 -12.160 1.00 0.00 C ATOM 694 CD2 LEU A 48 43.311 8.906 -10.221 1.00 0.00 C ATOM 0 H LEU A 48 41.904 5.228 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 48 40.873 8.013 -10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 48 42.365 6.732 -12.750 1.00 0.00 H new ATOM 0 HB3 LEU A 48 41.977 8.433 -12.580 1.00 0.00 H new ATOM 0 HG LEU A 48 43.725 6.834 -10.645 1.00 0.00 H new ATOM 0 HD11 LEU A 48 45.572 8.202 -11.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 44.797 7.218 -12.849 1.00 0.00 H new ATOM 0 HD13 LEU A 48 44.433 8.955 -12.725 1.00 0.00 H new ATOM 0 HD21 LEU A 48 44.226 9.050 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 48 43.083 9.817 -10.774 1.00 0.00 H new ATOM 0 HD23 LEU A 48 42.489 8.678 -9.542 1.00 0.00 H new ATOM 706 N VAL A 49 38.870 7.765 -11.851 1.00 0.00 N ATOM 707 CA VAL A 49 37.597 7.573 -12.601 1.00 0.00 C ATOM 708 C VAL A 49 37.878 7.570 -14.105 1.00 0.00 C ATOM 709 O VAL A 49 37.312 6.800 -14.858 1.00 0.00 O ATOM 710 CB VAL A 49 36.644 8.718 -12.270 1.00 0.00 C ATOM 711 CG1 VAL A 49 35.373 8.576 -13.103 1.00 0.00 C ATOM 712 CG2 VAL A 49 36.289 8.673 -10.783 1.00 0.00 C ATOM 0 H VAL A 49 38.927 8.637 -11.325 1.00 0.00 H new ATOM 0 HA VAL A 49 37.148 6.621 -12.316 1.00 0.00 H new ATOM 0 HB VAL A 49 37.124 9.670 -12.498 1.00 0.00 H new ATOM 0 HG11 VAL A 49 34.691 9.393 -12.868 1.00 0.00 H new ATOM 0 HG12 VAL A 49 35.627 8.609 -14.163 1.00 0.00 H new ATOM 0 HG13 VAL A 49 34.892 7.625 -12.874 1.00 0.00 H new ATOM 0 HG21 VAL A 49 35.608 9.491 -10.547 1.00 0.00 H new ATOM 0 HG22 VAL A 49 35.808 7.722 -10.552 1.00 0.00 H new ATOM 0 HG23 VAL A 49 37.197 8.774 -10.189 1.00 0.00 H new ATOM 722 N ASP A 50 38.735 8.441 -14.553 1.00 0.00 N ATOM 723 CA ASP A 50 39.042 8.511 -16.011 1.00 0.00 C ATOM 724 C ASP A 50 39.596 7.168 -16.493 1.00 0.00 C ATOM 725 O ASP A 50 39.275 6.700 -17.569 1.00 0.00 O ATOM 726 CB ASP A 50 40.095 9.594 -16.250 1.00 0.00 C ATOM 727 CG ASP A 50 39.474 10.975 -16.043 1.00 0.00 C ATOM 728 OD1 ASP A 50 38.259 11.052 -15.982 1.00 0.00 O ATOM 729 OD2 ASP A 50 40.225 11.931 -15.942 1.00 0.00 O ATOM 0 H ASP A 50 39.239 9.111 -13.972 1.00 0.00 H new ATOM 0 HA ASP A 50 38.129 8.745 -16.558 1.00 0.00 H new ATOM 0 HB2 ASP A 50 40.933 9.456 -15.567 1.00 0.00 H new ATOM 0 HB3 ASP A 50 40.492 9.511 -17.262 1.00 0.00 H new ATOM 734 N GLU A 51 40.427 6.542 -15.711 1.00 0.00 N ATOM 735 CA GLU A 51 41.001 5.231 -16.127 1.00 0.00 C ATOM 736 C GLU A 51 40.014 4.114 -15.777 1.00 0.00 C ATOM 737 O GLU A 51 40.319 2.941 -15.888 1.00 0.00 O ATOM 738 CB GLU A 51 42.320 5.004 -15.379 1.00 0.00 C ATOM 739 CG GLU A 51 43.326 6.088 -15.775 1.00 0.00 C ATOM 740 CD GLU A 51 43.675 5.945 -17.259 1.00 0.00 C ATOM 741 OE1 GLU A 51 43.441 4.878 -17.800 1.00 0.00 O ATOM 742 OE2 GLU A 51 44.167 6.906 -17.827 1.00 0.00 O ATOM 0 H GLU A 51 40.735 6.881 -14.800 1.00 0.00 H new ATOM 0 HA GLU A 51 41.184 5.229 -17.202 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.149 5.028 -14.303 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.720 4.018 -15.616 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.907 7.076 -15.583 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.228 6.001 -15.169 1.00 0.00 H new ATOM 749 N ALA A 52 38.832 4.470 -15.353 1.00 0.00 N ATOM 750 CA ALA A 52 37.825 3.434 -14.988 1.00 0.00 C ATOM 751 C ALA A 52 37.458 2.621 -16.218 1.00 0.00 C ATOM 752 O ALA A 52 37.296 3.157 -17.300 1.00 0.00 O ATOM 753 CB ALA A 52 36.570 4.118 -14.449 1.00 0.00 C ATOM 0 H ALA A 52 38.520 5.435 -15.244 1.00 0.00 H new ATOM 0 HA ALA A 52 38.245 2.775 -14.228 1.00 0.00 H new ATOM 0 HB1 ALA A 52 35.831 3.363 -14.181 1.00 0.00 H new ATOM 0 HB2 ALA A 52 36.826 4.705 -13.567 1.00 0.00 H new ATOM 0 HB3 ALA A 52 36.157 4.775 -15.214 1.00 0.00 H new ATOM 759 N ARG A 53 37.318 1.324 -16.064 1.00 0.00 N ATOM 760 CA ARG A 53 36.958 0.464 -17.226 1.00 0.00 C ATOM 761 C ARG A 53 35.548 -0.087 -17.024 1.00 0.00 C ATOM 762 O ARG A 53 35.259 -0.776 -16.054 1.00 0.00 O ATOM 763 CB ARG A 53 37.976 -0.688 -17.331 1.00 0.00 C ATOM 764 CG ARG A 53 38.217 -1.050 -18.799 1.00 0.00 C ATOM 765 CD ARG A 53 36.913 -1.563 -19.405 1.00 0.00 C ATOM 766 NE ARG A 53 37.174 -2.091 -20.773 1.00 0.00 N ATOM 767 CZ ARG A 53 37.116 -1.300 -21.812 1.00 0.00 C ATOM 768 NH1 ARG A 53 36.833 -0.032 -21.667 1.00 0.00 N ATOM 769 NH2 ARG A 53 37.340 -1.784 -23.000 1.00 0.00 N ATOM 0 H ARG A 53 37.439 0.828 -15.181 1.00 0.00 H new ATOM 0 HA ARG A 53 36.981 1.044 -18.148 1.00 0.00 H new ATOM 0 HB2 ARG A 53 38.916 -0.396 -16.862 1.00 0.00 H new ATOM 0 HB3 ARG A 53 37.607 -1.559 -16.790 1.00 0.00 H new ATOM 0 HG2 ARG A 53 38.570 -0.178 -19.349 1.00 0.00 H new ATOM 0 HG3 ARG A 53 38.993 -1.811 -18.877 1.00 0.00 H new ATOM 0 HD2 ARG A 53 36.491 -2.347 -18.776 1.00 0.00 H new ATOM 0 HD3 ARG A 53 36.179 -0.759 -19.448 1.00 0.00 H new ATOM 0 HE ARG A 53 37.400 -3.078 -20.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 36.655 0.348 -20.737 1.00 0.00 H new ATOM 0 HH12 ARG A 53 36.790 0.578 -22.484 1.00 0.00 H new ATOM 0 HH21 ARG A 53 37.559 -2.774 -23.115 1.00 0.00 H new ATOM 0 HH22 ARG A 53 37.297 -1.173 -23.816 1.00 0.00 H new ATOM 783 N ARG A 54 34.669 0.221 -17.943 1.00 0.00 N ATOM 784 CA ARG A 54 33.270 -0.264 -17.845 1.00 0.00 C ATOM 785 C ARG A 54 33.182 -1.679 -18.436 1.00 0.00 C ATOM 786 O ARG A 54 33.938 -2.035 -19.318 1.00 0.00 O ATOM 787 CB ARG A 54 32.355 0.679 -18.633 1.00 0.00 C ATOM 788 CG ARG A 54 33.046 1.114 -19.930 1.00 0.00 C ATOM 789 CD ARG A 54 32.005 1.728 -20.871 1.00 0.00 C ATOM 790 NE ARG A 54 32.689 2.409 -22.008 1.00 0.00 N ATOM 791 CZ ARG A 54 33.255 1.708 -22.954 1.00 0.00 C ATOM 792 NH1 ARG A 54 33.232 0.403 -22.912 1.00 0.00 N ATOM 793 NH2 ARG A 54 33.841 2.316 -23.947 1.00 0.00 N ATOM 0 H ARG A 54 34.868 0.794 -18.763 1.00 0.00 H new ATOM 0 HA ARG A 54 32.958 -0.287 -16.801 1.00 0.00 H new ATOM 0 HB2 ARG A 54 31.414 0.179 -18.862 1.00 0.00 H new ATOM 0 HB3 ARG A 54 32.113 1.553 -18.029 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.831 1.839 -19.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 33.525 0.258 -20.406 1.00 0.00 H new ATOM 0 HD2 ARG A 54 31.340 0.951 -21.248 1.00 0.00 H new ATOM 0 HD3 ARG A 54 31.386 2.442 -20.327 1.00 0.00 H new ATOM 0 HE ARG A 54 32.715 3.428 -22.047 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.770 -0.074 -22.138 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.676 -0.139 -23.654 1.00 0.00 H new ATOM 0 HH21 ARG A 54 33.856 3.335 -23.983 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.284 1.773 -24.688 1.00 0.00 H new ATOM 807 N PRO A 55 32.261 -2.476 -17.956 1.00 0.00 N ATOM 808 CA PRO A 55 32.065 -3.873 -18.447 1.00 0.00 C ATOM 809 C PRO A 55 31.559 -3.929 -19.893 1.00 0.00 C ATOM 810 O PRO A 55 30.801 -3.085 -20.339 1.00 0.00 O ATOM 811 CB PRO A 55 31.029 -4.458 -17.471 1.00 0.00 C ATOM 812 CG PRO A 55 30.280 -3.272 -16.959 1.00 0.00 C ATOM 813 CD PRO A 55 31.299 -2.139 -16.893 1.00 0.00 C ATOM 0 HA PRO A 55 33.002 -4.430 -18.468 1.00 0.00 H new ATOM 0 HB2 PRO A 55 30.364 -5.160 -17.973 1.00 0.00 H new ATOM 0 HB3 PRO A 55 31.512 -5.002 -16.659 1.00 0.00 H new ATOM 0 HG2 PRO A 55 29.452 -3.016 -17.620 1.00 0.00 H new ATOM 0 HG3 PRO A 55 29.853 -3.473 -15.976 1.00 0.00 H new ATOM 0 HD2 PRO A 55 30.832 -1.169 -17.067 1.00 0.00 H new ATOM 0 HD3 PRO A 55 31.781 -2.090 -15.917 1.00 0.00 H new ATOM 821 N GLU A 56 31.972 -4.928 -20.621 1.00 0.00 N ATOM 822 CA GLU A 56 31.526 -5.072 -22.035 1.00 0.00 C ATOM 823 C GLU A 56 31.649 -3.730 -22.759 1.00 0.00 C ATOM 824 O GLU A 56 30.703 -2.961 -22.708 1.00 0.00 O ATOM 825 CB GLU A 56 30.067 -5.543 -22.063 1.00 0.00 C ATOM 826 CG GLU A 56 29.965 -6.942 -21.447 1.00 0.00 C ATOM 827 CD GLU A 56 30.704 -7.953 -22.332 1.00 0.00 C ATOM 828 OE1 GLU A 56 30.921 -7.645 -23.492 1.00 0.00 O ATOM 829 OE2 GLU A 56 31.038 -9.014 -21.832 1.00 0.00 O ATOM 830 OXT GLU A 56 32.686 -3.495 -23.360 1.00 0.00 O ATOM 0 H GLU A 56 32.605 -5.658 -20.294 1.00 0.00 H new ATOM 0 HA GLU A 56 32.155 -5.806 -22.539 1.00 0.00 H new ATOM 0 HB2 GLU A 56 29.439 -4.845 -21.510 1.00 0.00 H new ATOM 0 HB3 GLU A 56 29.699 -5.559 -23.089 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.393 -6.940 -20.445 1.00 0.00 H new ATOM 0 HG3 GLU A 56 28.919 -7.230 -21.346 1.00 0.00 H new TER 837 GLU A 56 HETATM 838 ZN ZN A 150 32.039 1.226 -7.299 1.00 0.00 ZN