USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=4 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 -149:sc= -0.31 (180deg=-1.54!) USER MOD Single : A 1 MET N :NH3+ -112:sc= -3.23! (180deg=-6.66!) USER MOD Single : A 17 HIS : no HD1:sc= -1.04 K(o=-1,f=-2.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.9! USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 42.386 -14.829 11.499 1.00 0.00 N ATOM 2 CA MET A 1 43.505 -13.959 11.955 1.00 0.00 C ATOM 3 C MET A 1 43.157 -12.498 11.669 1.00 0.00 C ATOM 4 O MET A 1 43.905 -11.789 11.025 1.00 0.00 O ATOM 5 CB MET A 1 44.782 -14.342 11.209 1.00 0.00 C ATOM 6 CG MET A 1 45.137 -15.797 11.530 1.00 0.00 C ATOM 7 SD MET A 1 45.597 -15.935 13.275 1.00 0.00 S ATOM 8 CE MET A 1 47.124 -14.963 13.195 1.00 0.00 C ATOM 0 H1 MET A 1 41.923 -15.260 12.324 1.00 0.00 H new ATOM 0 H2 MET A 1 41.694 -14.258 10.973 1.00 0.00 H new ATOM 0 H3 MET A 1 42.758 -15.578 10.880 1.00 0.00 H new ATOM 0 HA MET A 1 43.661 -14.091 13.026 1.00 0.00 H new ATOM 0 HB2 MET A 1 44.641 -14.218 10.135 1.00 0.00 H new ATOM 0 HB3 MET A 1 45.599 -13.683 11.501 1.00 0.00 H new ATOM 0 HG2 MET A 1 44.288 -16.446 11.314 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.961 -16.129 10.898 1.00 0.00 H new ATOM 0 HE1 MET A 1 47.833 -15.338 13.933 1.00 0.00 H new ATOM 0 HE2 MET A 1 47.558 -15.049 12.199 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.901 -13.917 13.404 1.00 0.00 H new ATOM 20 N PRO A 2 42.025 -12.055 12.147 1.00 0.00 N ATOM 21 CA PRO A 2 41.558 -10.653 11.944 1.00 0.00 C ATOM 22 C PRO A 2 42.423 -9.637 12.684 1.00 0.00 C ATOM 23 O PRO A 2 42.918 -9.891 13.762 1.00 0.00 O ATOM 24 CB PRO A 2 40.122 -10.662 12.490 1.00 0.00 C ATOM 25 CG PRO A 2 40.099 -11.782 13.481 1.00 0.00 C ATOM 26 CD PRO A 2 41.062 -12.840 12.940 1.00 0.00 C ATOM 0 HA PRO A 2 41.617 -10.353 10.898 1.00 0.00 H new ATOM 0 HB2 PRO A 2 39.872 -9.711 12.961 1.00 0.00 H new ATOM 0 HB3 PRO A 2 39.396 -10.824 11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 2 40.411 -11.438 14.467 1.00 0.00 H new ATOM 0 HG3 PRO A 2 39.093 -12.188 13.589 1.00 0.00 H new ATOM 0 HD2 PRO A 2 41.555 -13.384 13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 2 40.544 -13.578 12.327 1.00 0.00 H new ATOM 34 N LEU A 3 42.601 -8.485 12.106 1.00 0.00 N ATOM 35 CA LEU A 3 43.431 -7.427 12.751 1.00 0.00 C ATOM 36 C LEU A 3 42.534 -6.429 13.474 1.00 0.00 C ATOM 37 O LEU A 3 41.589 -5.903 12.922 1.00 0.00 O ATOM 38 CB LEU A 3 44.245 -6.700 11.678 1.00 0.00 C ATOM 39 CG LEU A 3 45.057 -7.721 10.873 1.00 0.00 C ATOM 40 CD1 LEU A 3 45.835 -6.999 9.770 1.00 0.00 C ATOM 41 CD2 LEU A 3 46.041 -8.449 11.803 1.00 0.00 C ATOM 0 H LEU A 3 42.203 -8.226 11.203 1.00 0.00 H new ATOM 0 HA LEU A 3 44.104 -7.888 13.474 1.00 0.00 H new ATOM 0 HB2 LEU A 3 43.580 -6.145 11.016 1.00 0.00 H new ATOM 0 HB3 LEU A 3 44.912 -5.974 12.142 1.00 0.00 H new ATOM 0 HG LEU A 3 44.380 -8.448 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 3 46.413 -7.725 9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 3 45.137 -6.487 9.108 1.00 0.00 H new ATOM 0 HD13 LEU A 3 46.510 -6.270 10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 3 46.617 -9.174 11.228 1.00 0.00 H new ATOM 0 HD22 LEU A 3 46.718 -7.724 12.255 1.00 0.00 H new ATOM 0 HD23 LEU A 3 45.487 -8.965 12.587 1.00 0.00 H new ATOM 53 N GLU A 4 42.845 -6.169 14.708 1.00 0.00 N ATOM 54 CA GLU A 4 42.052 -5.205 15.519 1.00 0.00 C ATOM 55 C GLU A 4 40.572 -5.566 15.460 1.00 0.00 C ATOM 56 O GLU A 4 39.892 -5.319 14.485 1.00 0.00 O ATOM 57 CB GLU A 4 42.272 -3.790 14.991 1.00 0.00 C ATOM 58 CG GLU A 4 41.521 -2.803 15.884 1.00 0.00 C ATOM 59 CD GLU A 4 41.793 -1.375 15.415 1.00 0.00 C ATOM 60 OE1 GLU A 4 42.361 -1.221 14.346 1.00 0.00 O ATOM 61 OE2 GLU A 4 41.424 -0.459 16.129 1.00 0.00 O ATOM 0 H GLU A 4 43.632 -6.592 15.201 1.00 0.00 H new ATOM 0 HA GLU A 4 42.380 -5.253 16.557 1.00 0.00 H new ATOM 0 HB2 GLU A 4 43.336 -3.553 14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 4 41.918 -3.712 13.963 1.00 0.00 H new ATOM 0 HG2 GLU A 4 40.451 -3.009 15.851 1.00 0.00 H new ATOM 0 HG3 GLU A 4 41.837 -2.922 16.920 1.00 0.00 H new ATOM 68 N ALA A 5 40.074 -6.150 16.512 1.00 0.00 N ATOM 69 CA ALA A 5 38.640 -6.549 16.554 1.00 0.00 C ATOM 70 C ALA A 5 37.751 -5.314 16.493 1.00 0.00 C ATOM 71 O ALA A 5 38.044 -4.285 17.068 1.00 0.00 O ATOM 72 CB ALA A 5 38.361 -7.315 17.850 1.00 0.00 C ATOM 0 H ALA A 5 40.605 -6.371 17.354 1.00 0.00 H new ATOM 0 HA ALA A 5 38.423 -7.186 15.697 1.00 0.00 H new ATOM 0 HB1 ALA A 5 37.311 -7.607 17.881 1.00 0.00 H new ATOM 0 HB2 ALA A 5 38.987 -8.206 17.888 1.00 0.00 H new ATOM 0 HB3 ALA A 5 38.586 -6.677 18.705 1.00 0.00 H new ATOM 78 N GLY A 6 36.659 -5.420 15.794 1.00 0.00 N ATOM 79 CA GLY A 6 35.725 -4.267 15.676 1.00 0.00 C ATOM 80 C GLY A 6 34.640 -4.572 14.641 1.00 0.00 C ATOM 81 O GLY A 6 34.483 -5.684 14.182 1.00 0.00 O ATOM 0 H GLY A 6 36.370 -6.262 15.295 1.00 0.00 H new ATOM 0 HA2 GLY A 6 35.267 -4.059 16.643 1.00 0.00 H new ATOM 0 HA3 GLY A 6 36.275 -3.372 15.385 1.00 0.00 H new ATOM 85 N LEU A 7 33.892 -3.577 14.283 1.00 0.00 N ATOM 86 CA LEU A 7 32.799 -3.753 13.284 1.00 0.00 C ATOM 87 C LEU A 7 33.397 -3.811 11.878 1.00 0.00 C ATOM 88 O LEU A 7 32.692 -3.943 10.899 1.00 0.00 O ATOM 89 CB LEU A 7 31.816 -2.570 13.394 1.00 0.00 C ATOM 90 CG LEU A 7 32.411 -1.305 12.746 1.00 0.00 C ATOM 91 CD1 LEU A 7 31.445 -0.140 12.922 1.00 0.00 C ATOM 92 CD2 LEU A 7 33.748 -0.969 13.411 1.00 0.00 C ATOM 0 H LEU A 7 33.989 -2.628 14.644 1.00 0.00 H new ATOM 0 HA LEU A 7 32.265 -4.683 13.480 1.00 0.00 H new ATOM 0 HB2 LEU A 7 30.875 -2.826 12.907 1.00 0.00 H new ATOM 0 HB3 LEU A 7 31.589 -2.375 14.442 1.00 0.00 H new ATOM 0 HG LEU A 7 32.572 -1.484 11.683 1.00 0.00 H new ATOM 0 HD11 LEU A 7 31.866 0.755 12.463 1.00 0.00 H new ATOM 0 HD12 LEU A 7 30.495 -0.380 12.444 1.00 0.00 H new ATOM 0 HD13 LEU A 7 31.281 0.040 13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.168 -0.074 12.952 1.00 0.00 H new ATOM 0 HD22 LEU A 7 33.591 -0.791 14.475 1.00 0.00 H new ATOM 0 HD23 LEU A 7 34.439 -1.802 13.280 1.00 0.00 H new ATOM 104 N LEU A 8 34.689 -3.680 11.781 1.00 0.00 N ATOM 105 CA LEU A 8 35.369 -3.702 10.452 1.00 0.00 C ATOM 106 C LEU A 8 34.562 -2.908 9.428 1.00 0.00 C ATOM 107 O LEU A 8 33.686 -3.428 8.766 1.00 0.00 O ATOM 108 CB LEU A 8 35.519 -5.150 9.994 1.00 0.00 C ATOM 109 CG LEU A 8 36.270 -5.949 11.067 1.00 0.00 C ATOM 110 CD1 LEU A 8 36.374 -7.412 10.630 1.00 0.00 C ATOM 111 CD2 LEU A 8 37.681 -5.367 11.259 1.00 0.00 C ATOM 0 H LEU A 8 35.314 -3.557 12.577 1.00 0.00 H new ATOM 0 HA LEU A 8 36.353 -3.242 10.542 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.538 -5.590 9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.061 -5.190 9.049 1.00 0.00 H new ATOM 0 HG LEU A 8 35.727 -5.887 12.010 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.907 -7.982 11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.374 -7.825 10.502 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.915 -7.472 9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 8 38.210 -5.938 12.022 1.00 0.00 H new ATOM 0 HD22 LEU A 8 38.229 -5.424 10.319 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.606 -4.326 11.573 1.00 0.00 H new ATOM 123 N GLU A 9 34.863 -1.648 9.297 1.00 0.00 N ATOM 124 CA GLU A 9 34.135 -0.788 8.328 1.00 0.00 C ATOM 125 C GLU A 9 34.372 -1.295 6.909 1.00 0.00 C ATOM 126 O GLU A 9 35.462 -1.662 6.531 1.00 0.00 O ATOM 127 CB GLU A 9 34.631 0.655 8.449 1.00 0.00 C ATOM 128 CG GLU A 9 33.821 1.544 7.504 1.00 0.00 C ATOM 129 CD GLU A 9 34.233 3.006 7.685 1.00 0.00 C ATOM 130 OE1 GLU A 9 34.895 3.298 8.667 1.00 0.00 O ATOM 131 OE2 GLU A 9 33.881 3.807 6.835 1.00 0.00 O ATOM 0 H GLU A 9 35.592 -1.172 9.828 1.00 0.00 H new ATOM 0 HA GLU A 9 33.068 -0.823 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 9 34.525 1.004 9.476 1.00 0.00 H new ATOM 0 HB3 GLU A 9 35.691 0.710 8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 9 33.984 1.236 6.471 1.00 0.00 H new ATOM 0 HG3 GLU A 9 32.756 1.429 7.706 1.00 0.00 H new ATOM 138 N ILE A 10 33.342 -1.306 6.129 1.00 0.00 N ATOM 139 CA ILE A 10 33.443 -1.779 4.721 1.00 0.00 C ATOM 140 C ILE A 10 34.079 -0.700 3.842 1.00 0.00 C ATOM 141 O ILE A 10 33.936 0.483 4.072 1.00 0.00 O ATOM 142 CB ILE A 10 32.041 -2.121 4.188 1.00 0.00 C ATOM 143 CG1 ILE A 10 31.226 -0.832 3.950 1.00 0.00 C ATOM 144 CG2 ILE A 10 31.305 -3.003 5.207 1.00 0.00 C ATOM 145 CD1 ILE A 10 31.107 -0.030 5.255 1.00 0.00 C ATOM 0 H ILE A 10 32.409 -1.001 6.408 1.00 0.00 H new ATOM 0 HA ILE A 10 34.070 -2.670 4.693 1.00 0.00 H new ATOM 0 HB ILE A 10 32.147 -2.654 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 10 31.708 -0.225 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 10 30.233 -1.085 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 10 30.312 -3.245 4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 10 31.867 -3.923 5.365 1.00 0.00 H new ATOM 0 HG23 ILE A 10 31.213 -2.468 6.152 1.00 0.00 H new ATOM 0 HD11 ILE A 10 30.530 0.877 5.073 1.00 0.00 H new ATOM 0 HD12 ILE A 10 30.604 -0.635 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 10 32.102 0.238 5.609 1.00 0.00 H new ATOM 157 N LEU A 11 34.764 -1.115 2.825 1.00 0.00 N ATOM 158 CA LEU A 11 35.418 -0.148 1.904 1.00 0.00 C ATOM 159 C LEU A 11 34.378 0.545 1.040 1.00 0.00 C ATOM 160 O LEU A 11 33.337 0.004 0.737 1.00 0.00 O ATOM 161 CB LEU A 11 36.406 -0.897 1.008 1.00 0.00 C ATOM 162 CG LEU A 11 37.394 -1.675 1.881 1.00 0.00 C ATOM 163 CD1 LEU A 11 38.364 -2.452 0.988 1.00 0.00 C ATOM 164 CD2 LEU A 11 38.183 -0.696 2.768 1.00 0.00 C ATOM 0 H LEU A 11 34.903 -2.097 2.585 1.00 0.00 H new ATOM 0 HA LEU A 11 35.944 0.604 2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 11 35.870 -1.580 0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 11 36.942 -0.193 0.371 1.00 0.00 H new ATOM 0 HG LEU A 11 36.845 -2.373 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 11 39.067 -3.006 1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 11 37.805 -3.149 0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 11 38.912 -1.755 0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 11 38.886 -1.252 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 11 38.731 0.005 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 11 37.492 -0.146 3.407 1.00 0.00 H new ATOM 176 N ALA A 12 34.668 1.756 0.644 1.00 0.00 N ATOM 177 CA ALA A 12 33.718 2.533 -0.207 1.00 0.00 C ATOM 178 C ALA A 12 34.445 3.078 -1.428 1.00 0.00 C ATOM 179 O ALA A 12 35.462 3.736 -1.336 1.00 0.00 O ATOM 180 CB ALA A 12 33.148 3.692 0.607 1.00 0.00 C ATOM 0 H ALA A 12 35.532 2.246 0.876 1.00 0.00 H new ATOM 0 HA ALA A 12 32.909 1.881 -0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 12 32.454 4.263 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 12 32.623 3.301 1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 12 33.960 4.341 0.934 1.00 0.00 H new ATOM 186 N CYS A 13 33.913 2.798 -2.575 1.00 0.00 N ATOM 187 CA CYS A 13 34.529 3.275 -3.841 1.00 0.00 C ATOM 188 C CYS A 13 34.577 4.806 -3.848 1.00 0.00 C ATOM 189 O CYS A 13 33.843 5.466 -3.136 1.00 0.00 O ATOM 190 CB CYS A 13 33.691 2.774 -5.045 1.00 0.00 C ATOM 191 SG CYS A 13 32.067 2.216 -4.473 1.00 0.00 S ATOM 0 H CYS A 13 33.062 2.249 -2.695 1.00 0.00 H new ATOM 0 HA CYS A 13 35.544 2.885 -3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 13 33.574 3.574 -5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 13 34.210 1.957 -5.546 1.00 0.00 H new ATOM 196 N PRO A 14 35.430 5.364 -4.665 1.00 0.00 N ATOM 197 CA PRO A 14 35.571 6.839 -4.792 1.00 0.00 C ATOM 198 C PRO A 14 34.342 7.474 -5.442 1.00 0.00 C ATOM 199 O PRO A 14 33.492 8.036 -4.782 1.00 0.00 O ATOM 200 CB PRO A 14 36.804 7.013 -5.700 1.00 0.00 C ATOM 201 CG PRO A 14 36.897 5.736 -6.478 1.00 0.00 C ATOM 202 CD PRO A 14 36.352 4.644 -5.565 1.00 0.00 C ATOM 0 HA PRO A 14 35.674 7.323 -3.821 1.00 0.00 H new ATOM 0 HB2 PRO A 14 36.688 7.871 -6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 14 37.706 7.183 -5.112 1.00 0.00 H new ATOM 0 HG2 PRO A 14 36.318 5.798 -7.400 1.00 0.00 H new ATOM 0 HG3 PRO A 14 37.928 5.527 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 14 35.834 3.870 -6.132 1.00 0.00 H new ATOM 0 HD3 PRO A 14 37.150 4.152 -5.009 1.00 0.00 H new ATOM 210 N ALA A 15 34.255 7.385 -6.740 1.00 0.00 N ATOM 211 CA ALA A 15 33.103 7.979 -7.465 1.00 0.00 C ATOM 212 C ALA A 15 31.816 7.363 -6.941 1.00 0.00 C ATOM 213 O ALA A 15 30.861 8.050 -6.651 1.00 0.00 O ATOM 214 CB ALA A 15 33.233 7.670 -8.963 1.00 0.00 C ATOM 0 H ALA A 15 34.942 6.920 -7.334 1.00 0.00 H new ATOM 0 HA ALA A 15 33.088 9.058 -7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 15 32.389 8.104 -9.499 1.00 0.00 H new ATOM 0 HB2 ALA A 15 34.162 8.095 -9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 15 33.241 6.590 -9.112 1.00 0.00 H new ATOM 220 N CYS A 16 31.788 6.064 -6.814 1.00 0.00 N ATOM 221 CA CYS A 16 30.564 5.373 -6.308 1.00 0.00 C ATOM 222 C CYS A 16 30.791 4.930 -4.869 1.00 0.00 C ATOM 223 O CYS A 16 31.901 4.898 -4.383 1.00 0.00 O ATOM 224 CB CYS A 16 30.271 4.146 -7.188 1.00 0.00 C ATOM 225 SG CYS A 16 31.816 3.498 -7.875 1.00 0.00 S ATOM 0 H CYS A 16 32.567 5.445 -7.041 1.00 0.00 H new ATOM 0 HA CYS A 16 29.715 6.056 -6.345 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.773 3.376 -6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 16 29.591 4.420 -7.994 1.00 0.00 H new ATOM 230 N HIS A 17 29.730 4.588 -4.189 1.00 0.00 N ATOM 231 CA HIS A 17 29.837 4.139 -2.767 1.00 0.00 C ATOM 232 C HIS A 17 29.395 2.688 -2.642 1.00 0.00 C ATOM 233 O HIS A 17 28.224 2.368 -2.688 1.00 0.00 O ATOM 234 CB HIS A 17 28.957 5.027 -1.890 1.00 0.00 C ATOM 235 CG HIS A 17 27.529 4.969 -2.360 1.00 0.00 C ATOM 236 ND1 HIS A 17 27.086 5.661 -3.480 1.00 0.00 N ATOM 237 CD2 HIS A 17 26.427 4.313 -1.865 1.00 0.00 C ATOM 238 CE1 HIS A 17 25.771 5.410 -3.618 1.00 0.00 C ATOM 239 NE2 HIS A 17 25.322 4.596 -2.661 1.00 0.00 N ATOM 0 H HIS A 17 28.781 4.600 -4.562 1.00 0.00 H new ATOM 0 HA HIS A 17 30.874 4.218 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 17 29.019 4.701 -0.852 1.00 0.00 H new ATOM 0 HB3 HIS A 17 29.317 6.055 -1.924 1.00 0.00 H new ATOM 0 HD2 HIS A 17 26.420 3.676 -0.993 1.00 0.00 H new ATOM 0 HE1 HIS A 17 25.155 5.817 -4.406 1.00 0.00 H new ATOM 0 HE2 HIS A 17 24.369 4.253 -2.539 1.00 0.00 H new ATOM 247 N ALA A 18 30.337 1.810 -2.473 1.00 0.00 N ATOM 248 CA ALA A 18 30.017 0.376 -2.324 1.00 0.00 C ATOM 249 C ALA A 18 31.307 -0.409 -2.047 1.00 0.00 C ATOM 250 O ALA A 18 32.394 0.144 -2.051 1.00 0.00 O ATOM 251 CB ALA A 18 29.347 -0.157 -3.608 1.00 0.00 C ATOM 0 H ALA A 18 31.331 2.033 -2.432 1.00 0.00 H new ATOM 0 HA ALA A 18 29.327 0.249 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 18 29.116 -1.215 -3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.426 0.396 -3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 18 30.025 -0.029 -4.452 1.00 0.00 H new ATOM 257 N PRO A 19 31.179 -1.693 -1.820 1.00 0.00 N ATOM 258 CA PRO A 19 32.340 -2.587 -1.535 1.00 0.00 C ATOM 259 C PRO A 19 33.236 -2.814 -2.758 1.00 0.00 C ATOM 260 O PRO A 19 32.814 -2.715 -3.898 1.00 0.00 O ATOM 261 CB PRO A 19 31.697 -3.920 -1.084 1.00 0.00 C ATOM 262 CG PRO A 19 30.237 -3.629 -0.899 1.00 0.00 C ATOM 263 CD PRO A 19 29.918 -2.451 -1.803 1.00 0.00 C ATOM 0 HA PRO A 19 32.995 -2.145 -0.785 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.849 -4.699 -1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 19 32.145 -4.276 -0.156 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.631 -4.496 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.017 -3.391 0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.630 -2.776 -2.803 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.094 -1.854 -1.412 1.00 0.00 H new ATOM 271 N LEU A 20 34.474 -3.143 -2.516 1.00 0.00 N ATOM 272 CA LEU A 20 35.429 -3.406 -3.636 1.00 0.00 C ATOM 273 C LEU A 20 35.839 -4.866 -3.629 1.00 0.00 C ATOM 274 O LEU A 20 36.073 -5.453 -2.593 1.00 0.00 O ATOM 275 CB LEU A 20 36.664 -2.526 -3.467 1.00 0.00 C ATOM 276 CG LEU A 20 36.250 -1.051 -3.527 1.00 0.00 C ATOM 277 CD1 LEU A 20 37.462 -0.170 -3.219 1.00 0.00 C ATOM 278 CD2 LEU A 20 35.714 -0.716 -4.931 1.00 0.00 C ATOM 0 H LEU A 20 34.872 -3.243 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 20 34.945 -3.175 -4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 20 37.149 -2.740 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 20 37.389 -2.744 -4.251 1.00 0.00 H new ATOM 0 HG LEU A 20 35.467 -0.866 -2.791 1.00 0.00 H new ATOM 0 HD11 LEU A 20 37.169 0.879 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 20 37.837 -0.402 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 20 38.245 -0.358 -3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 20 35.421 0.333 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 20 36.492 -0.902 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 20 34.849 -1.342 -5.149 1.00 0.00 H new ATOM 290 N GLU A 21 35.926 -5.455 -4.794 1.00 0.00 N ATOM 291 CA GLU A 21 36.317 -6.894 -4.899 1.00 0.00 C ATOM 292 C GLU A 21 37.696 -6.999 -5.547 1.00 0.00 C ATOM 293 O GLU A 21 37.958 -6.459 -6.614 1.00 0.00 O ATOM 294 CB GLU A 21 35.294 -7.639 -5.749 1.00 0.00 C ATOM 295 CG GLU A 21 35.624 -9.130 -5.718 1.00 0.00 C ATOM 296 CD GLU A 21 34.601 -9.905 -6.549 1.00 0.00 C ATOM 297 OE1 GLU A 21 33.875 -9.273 -7.298 1.00 0.00 O ATOM 298 OE2 GLU A 21 34.566 -11.117 -6.425 1.00 0.00 O ATOM 0 H GLU A 21 35.741 -4.996 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 21 36.349 -7.337 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 21 34.288 -7.467 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 21 35.313 -7.269 -6.774 1.00 0.00 H new ATOM 0 HG2 GLU A 21 36.627 -9.298 -6.110 1.00 0.00 H new ATOM 0 HG3 GLU A 21 35.619 -9.491 -4.690 1.00 0.00 H new ATOM 305 N GLU A 22 38.581 -7.689 -4.887 1.00 0.00 N ATOM 306 CA GLU A 22 39.964 -7.853 -5.403 1.00 0.00 C ATOM 307 C GLU A 22 40.008 -8.922 -6.479 1.00 0.00 C ATOM 308 O GLU A 22 39.335 -9.932 -6.403 1.00 0.00 O ATOM 309 CB GLU A 22 40.895 -8.252 -4.252 1.00 0.00 C ATOM 310 CG GLU A 22 40.996 -7.098 -3.242 1.00 0.00 C ATOM 311 CD GLU A 22 39.797 -7.133 -2.289 1.00 0.00 C ATOM 312 OE1 GLU A 22 38.916 -7.951 -2.500 1.00 0.00 O ATOM 313 OE2 GLU A 22 39.780 -6.340 -1.365 1.00 0.00 O ATOM 0 H GLU A 22 38.400 -8.153 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 22 40.291 -6.907 -5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 22 40.516 -9.147 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 22 41.884 -8.496 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 22 41.924 -7.179 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 22 41.026 -6.144 -3.768 1.00 0.00 H new ATOM 320 N ARG A 23 40.803 -8.694 -7.489 1.00 0.00 N ATOM 321 CA ARG A 23 40.922 -9.674 -8.596 1.00 0.00 C ATOM 322 C ARG A 23 42.363 -9.715 -9.108 1.00 0.00 C ATOM 323 O ARG A 23 43.155 -8.819 -8.873 1.00 0.00 O ATOM 324 CB ARG A 23 39.981 -9.274 -9.738 1.00 0.00 C ATOM 325 CG ARG A 23 39.624 -10.519 -10.568 1.00 0.00 C ATOM 326 CD ARG A 23 38.423 -11.226 -9.926 1.00 0.00 C ATOM 327 NE ARG A 23 38.090 -12.444 -10.708 1.00 0.00 N ATOM 328 CZ ARG A 23 37.247 -13.320 -10.229 1.00 0.00 C ATOM 329 NH1 ARG A 23 36.687 -13.131 -9.060 1.00 0.00 N ATOM 330 NH2 ARG A 23 36.964 -14.387 -10.919 1.00 0.00 N ATOM 0 H ARG A 23 41.380 -7.859 -7.592 1.00 0.00 H new ATOM 0 HA ARG A 23 40.648 -10.663 -8.228 1.00 0.00 H new ATOM 0 HB2 ARG A 23 39.075 -8.820 -9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 23 40.458 -8.526 -10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 23 39.387 -10.232 -11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 23 40.477 -11.196 -10.616 1.00 0.00 H new ATOM 0 HD2 ARG A 23 38.654 -11.494 -8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 23 37.565 -10.554 -9.896 1.00 0.00 H new ATOM 0 HE ARG A 23 38.520 -12.597 -11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 23 36.908 -12.296 -8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 23 36.030 -13.819 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 23 37.400 -14.536 -11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 23 36.307 -15.074 -10.549 1.00 0.00 H new ATOM 344 N ASP A 24 42.697 -10.767 -9.800 1.00 0.00 N ATOM 345 CA ASP A 24 44.074 -10.933 -10.333 1.00 0.00 C ATOM 346 C ASP A 24 44.585 -9.623 -10.913 1.00 0.00 C ATOM 347 O ASP A 24 44.057 -9.105 -11.874 1.00 0.00 O ATOM 348 CB ASP A 24 44.072 -12.002 -11.428 1.00 0.00 C ATOM 349 CG ASP A 24 45.507 -12.258 -11.891 1.00 0.00 C ATOM 350 OD1 ASP A 24 46.385 -11.527 -11.463 1.00 0.00 O ATOM 351 OD2 ASP A 24 45.703 -13.179 -12.665 1.00 0.00 O ATOM 0 H ASP A 24 42.060 -11.532 -10.022 1.00 0.00 H new ATOM 0 HA ASP A 24 44.729 -11.237 -9.516 1.00 0.00 H new ATOM 0 HB2 ASP A 24 43.630 -12.924 -11.050 1.00 0.00 H new ATOM 0 HB3 ASP A 24 43.460 -11.676 -12.269 1.00 0.00 H new ATOM 356 N ALA A 25 45.630 -9.104 -10.323 1.00 0.00 N ATOM 357 CA ALA A 25 46.240 -7.828 -10.798 1.00 0.00 C ATOM 358 C ALA A 25 45.150 -6.870 -11.266 1.00 0.00 C ATOM 359 O ALA A 25 45.320 -6.116 -12.207 1.00 0.00 O ATOM 360 CB ALA A 25 47.207 -8.136 -11.938 1.00 0.00 C ATOM 0 H ALA A 25 46.095 -9.520 -9.516 1.00 0.00 H new ATOM 0 HA ALA A 25 46.784 -7.352 -9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 25 47.658 -7.209 -12.293 1.00 0.00 H new ATOM 0 HB2 ALA A 25 47.988 -8.807 -11.581 1.00 0.00 H new ATOM 0 HB3 ALA A 25 46.666 -8.612 -12.756 1.00 0.00 H new ATOM 366 N GLU A 26 44.023 -6.904 -10.606 1.00 0.00 N ATOM 367 CA GLU A 26 42.906 -6.004 -10.993 1.00 0.00 C ATOM 368 C GLU A 26 41.930 -5.854 -9.833 1.00 0.00 C ATOM 369 O GLU A 26 41.840 -6.699 -8.958 1.00 0.00 O ATOM 370 CB GLU A 26 42.170 -6.581 -12.205 1.00 0.00 C ATOM 371 CG GLU A 26 40.950 -5.708 -12.518 1.00 0.00 C ATOM 372 CD GLU A 26 40.344 -6.124 -13.854 1.00 0.00 C ATOM 373 OE1 GLU A 26 41.017 -6.819 -14.595 1.00 0.00 O ATOM 374 OE2 GLU A 26 39.215 -5.742 -14.110 1.00 0.00 O ATOM 0 H GLU A 26 43.831 -7.518 -9.815 1.00 0.00 H new ATOM 0 HA GLU A 26 43.315 -5.026 -11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 26 42.837 -6.617 -13.067 1.00 0.00 H new ATOM 0 HB3 GLU A 26 41.857 -7.605 -12.001 1.00 0.00 H new ATOM 0 HG2 GLU A 26 40.208 -5.807 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 26 41.242 -4.658 -12.552 1.00 0.00 H new ATOM 381 N LEU A 27 41.181 -4.780 -9.836 1.00 0.00 N ATOM 382 CA LEU A 27 40.174 -4.541 -8.755 1.00 0.00 C ATOM 383 C LEU A 27 38.811 -4.288 -9.381 1.00 0.00 C ATOM 384 O LEU A 27 38.652 -3.441 -10.245 1.00 0.00 O ATOM 385 CB LEU A 27 40.594 -3.333 -7.926 1.00 0.00 C ATOM 386 CG LEU A 27 41.991 -3.580 -7.349 1.00 0.00 C ATOM 387 CD1 LEU A 27 42.487 -2.305 -6.667 1.00 0.00 C ATOM 388 CD2 LEU A 27 41.937 -4.726 -6.325 1.00 0.00 C ATOM 0 H LEU A 27 41.224 -4.051 -10.548 1.00 0.00 H new ATOM 0 HA LEU A 27 40.117 -5.417 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 27 40.596 -2.435 -8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 27 39.879 -3.163 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 27 42.673 -3.854 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 27 43.481 -2.476 -6.255 1.00 0.00 H new ATOM 0 HD12 LEU A 27 42.531 -1.496 -7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 27 41.803 -2.033 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 27 42.933 -4.897 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 27 41.256 -4.460 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 27 41.584 -5.634 -6.813 1.00 0.00 H new ATOM 400 N ILE A 28 37.821 -5.021 -8.940 1.00 0.00 N ATOM 401 CA ILE A 28 36.438 -4.851 -9.489 1.00 0.00 C ATOM 402 C ILE A 28 35.557 -4.149 -8.459 1.00 0.00 C ATOM 403 O ILE A 28 35.437 -4.569 -7.318 1.00 0.00 O ATOM 404 CB ILE A 28 35.853 -6.218 -9.825 1.00 0.00 C ATOM 405 CG1 ILE A 28 36.705 -6.883 -10.911 1.00 0.00 C ATOM 406 CG2 ILE A 28 34.422 -6.045 -10.330 1.00 0.00 C ATOM 407 CD1 ILE A 28 36.246 -8.328 -11.111 1.00 0.00 C ATOM 0 H ILE A 28 37.910 -5.736 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 28 36.479 -4.244 -10.394 1.00 0.00 H new ATOM 0 HB ILE A 28 35.850 -6.845 -8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 28 36.616 -6.330 -11.846 1.00 0.00 H new ATOM 0 HG13 ILE A 28 37.757 -6.861 -10.626 1.00 0.00 H new ATOM 0 HG21 ILE A 28 34.001 -7.021 -10.571 1.00 0.00 H new ATOM 0 HG22 ILE A 28 33.818 -5.570 -9.557 1.00 0.00 H new ATOM 0 HG23 ILE A 28 34.424 -5.420 -11.223 1.00 0.00 H new ATOM 0 HD11 ILE A 28 36.853 -8.799 -11.884 1.00 0.00 H new ATOM 0 HD12 ILE A 28 36.358 -8.878 -10.176 1.00 0.00 H new ATOM 0 HD13 ILE A 28 35.199 -8.338 -11.415 1.00 0.00 H new ATOM 419 N CYS A 29 34.942 -3.071 -8.866 1.00 0.00 N ATOM 420 CA CYS A 29 34.064 -2.302 -7.940 1.00 0.00 C ATOM 421 C CYS A 29 32.764 -3.063 -7.711 1.00 0.00 C ATOM 422 O CYS A 29 32.013 -3.335 -8.632 1.00 0.00 O ATOM 423 CB CYS A 29 33.766 -0.938 -8.560 1.00 0.00 C ATOM 424 SG CYS A 29 33.249 0.193 -7.261 1.00 0.00 S ATOM 0 H CYS A 29 35.012 -2.688 -9.809 1.00 0.00 H new ATOM 0 HA CYS A 29 34.566 -2.168 -6.982 1.00 0.00 H new ATOM 0 HB2 CYS A 29 34.651 -0.552 -9.065 1.00 0.00 H new ATOM 0 HB3 CYS A 29 32.984 -1.029 -9.313 1.00 0.00 H new ATOM 429 N THR A 30 32.490 -3.404 -6.477 1.00 0.00 N ATOM 430 CA THR A 30 31.263 -4.158 -6.161 1.00 0.00 C ATOM 431 C THR A 30 30.076 -3.213 -6.068 1.00 0.00 C ATOM 432 O THR A 30 30.216 -2.016 -6.062 1.00 0.00 O ATOM 433 CB THR A 30 31.461 -4.890 -4.810 1.00 0.00 C ATOM 434 OG1 THR A 30 32.851 -4.990 -4.527 1.00 0.00 O ATOM 435 CG2 THR A 30 30.857 -6.293 -4.893 1.00 0.00 C ATOM 0 H THR A 30 33.078 -3.184 -5.673 1.00 0.00 H new ATOM 0 HA THR A 30 31.066 -4.883 -6.950 1.00 0.00 H new ATOM 0 HB THR A 30 30.965 -4.329 -4.018 1.00 0.00 H new ATOM 0 HG1 THR A 30 32.978 -5.451 -3.672 1.00 0.00 H new ATOM 0 HG21 THR A 30 30.997 -6.806 -3.942 1.00 0.00 H new ATOM 0 HG22 THR A 30 29.792 -6.218 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.351 -6.856 -5.685 1.00 0.00 H new ATOM 443 N GLY A 31 28.913 -3.769 -5.977 1.00 0.00 N ATOM 444 CA GLY A 31 27.668 -2.948 -5.859 1.00 0.00 C ATOM 445 C GLY A 31 26.960 -2.877 -7.207 1.00 0.00 C ATOM 446 O GLY A 31 27.576 -2.905 -8.255 1.00 0.00 O ATOM 0 H GLY A 31 28.758 -4.777 -5.978 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.004 -3.385 -5.113 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.916 -1.944 -5.516 1.00 0.00 H new ATOM 450 N GLN A 32 25.663 -2.783 -7.177 1.00 0.00 N ATOM 451 CA GLN A 32 24.872 -2.703 -8.436 1.00 0.00 C ATOM 452 C GLN A 32 25.072 -1.329 -9.073 1.00 0.00 C ATOM 453 O GLN A 32 25.116 -1.193 -10.278 1.00 0.00 O ATOM 454 CB GLN A 32 23.386 -2.896 -8.114 1.00 0.00 C ATOM 455 CG GLN A 32 23.149 -4.341 -7.672 1.00 0.00 C ATOM 456 CD GLN A 32 21.673 -4.540 -7.324 1.00 0.00 C ATOM 457 OE1 GLN A 32 20.860 -4.794 -8.189 1.00 0.00 O ATOM 458 NE2 GLN A 32 21.289 -4.440 -6.082 1.00 0.00 N ATOM 0 H GLN A 32 25.108 -2.758 -6.322 1.00 0.00 H new ATOM 0 HA GLN A 32 25.204 -3.480 -9.125 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.080 -2.208 -7.326 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.779 -2.667 -8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 32 23.440 -5.027 -8.467 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.771 -4.573 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 32 21.970 -4.227 -5.353 1.00 0.00 H new ATOM 0 HE22 GLN A 32 20.308 -4.575 -5.839 1.00 0.00 H new ATOM 467 N ASP A 33 25.176 -0.308 -8.267 1.00 0.00 N ATOM 468 CA ASP A 33 25.352 1.069 -8.812 1.00 0.00 C ATOM 469 C ASP A 33 26.795 1.248 -9.268 1.00 0.00 C ATOM 470 O ASP A 33 27.155 2.258 -9.834 1.00 0.00 O ATOM 471 CB ASP A 33 25.037 2.094 -7.715 1.00 0.00 C ATOM 472 CG ASP A 33 23.542 2.057 -7.399 1.00 0.00 C ATOM 473 OD1 ASP A 33 22.805 1.480 -8.181 1.00 0.00 O ATOM 474 OD2 ASP A 33 23.158 2.605 -6.378 1.00 0.00 O ATOM 0 H ASP A 33 25.147 -0.368 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 33 24.678 1.218 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 33 25.615 1.872 -6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 33 25.326 3.093 -8.042 1.00 0.00 H new ATOM 479 N CYS A 34 27.624 0.273 -9.025 1.00 0.00 N ATOM 480 CA CYS A 34 29.059 0.374 -9.439 1.00 0.00 C ATOM 481 C CYS A 34 29.283 -0.448 -10.708 1.00 0.00 C ATOM 482 O CYS A 34 28.710 -0.177 -11.744 1.00 0.00 O ATOM 483 CB CYS A 34 29.940 -0.191 -8.329 1.00 0.00 C ATOM 484 SG CYS A 34 29.667 0.734 -6.800 1.00 0.00 S ATOM 0 H CYS A 34 27.372 -0.596 -8.555 1.00 0.00 H new ATOM 0 HA CYS A 34 29.310 1.418 -9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 34 29.712 -1.245 -8.173 1.00 0.00 H new ATOM 0 HB3 CYS A 34 30.989 -0.131 -8.619 1.00 0.00 H new ATOM 489 N GLY A 35 30.118 -1.454 -10.629 1.00 0.00 N ATOM 490 CA GLY A 35 30.400 -2.311 -11.819 1.00 0.00 C ATOM 491 C GLY A 35 31.704 -1.845 -12.469 1.00 0.00 C ATOM 492 O GLY A 35 32.214 -2.471 -13.373 1.00 0.00 O ATOM 0 H GLY A 35 30.621 -1.720 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 35 30.481 -3.356 -11.520 1.00 0.00 H new ATOM 0 HA3 GLY A 35 29.579 -2.246 -12.533 1.00 0.00 H new ATOM 496 N LEU A 36 32.238 -0.746 -12.015 1.00 0.00 N ATOM 497 CA LEU A 36 33.502 -0.217 -12.604 1.00 0.00 C ATOM 498 C LEU A 36 34.665 -1.137 -12.271 1.00 0.00 C ATOM 499 O LEU A 36 34.686 -1.800 -11.248 1.00 0.00 O ATOM 500 CB LEU A 36 33.784 1.179 -12.042 1.00 0.00 C ATOM 501 CG LEU A 36 32.570 2.081 -12.283 1.00 0.00 C ATOM 502 CD1 LEU A 36 32.837 3.466 -11.688 1.00 0.00 C ATOM 503 CD2 LEU A 36 32.313 2.211 -13.794 1.00 0.00 C ATOM 0 H LEU A 36 31.851 -0.186 -11.255 1.00 0.00 H new ATOM 0 HA LEU A 36 33.390 -0.164 -13.687 1.00 0.00 H new ATOM 0 HB2 LEU A 36 33.998 1.117 -10.975 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.667 1.604 -12.520 1.00 0.00 H new ATOM 0 HG LEU A 36 31.694 1.643 -11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 36 31.973 4.108 -11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.014 3.374 -10.616 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.715 3.904 -12.164 1.00 0.00 H new ATOM 0 HD21 LEU A 36 31.449 2.853 -13.962 1.00 0.00 H new ATOM 0 HD22 LEU A 36 33.188 2.647 -14.276 1.00 0.00 H new ATOM 0 HD23 LEU A 36 32.120 1.225 -14.216 1.00 0.00 H new ATOM 515 N ALA A 37 35.632 -1.184 -13.147 1.00 0.00 N ATOM 516 CA ALA A 37 36.822 -2.062 -12.926 1.00 0.00 C ATOM 517 C ALA A 37 38.088 -1.229 -12.997 1.00 0.00 C ATOM 518 O ALA A 37 38.186 -0.277 -13.756 1.00 0.00 O ATOM 519 CB ALA A 37 36.854 -3.146 -14.004 1.00 0.00 C ATOM 0 H ALA A 37 35.650 -0.648 -14.014 1.00 0.00 H new ATOM 0 HA ALA A 37 36.757 -2.529 -11.943 1.00 0.00 H new ATOM 0 HB1 ALA A 37 37.720 -3.789 -13.848 1.00 0.00 H new ATOM 0 HB2 ALA A 37 35.944 -3.743 -13.947 1.00 0.00 H new ATOM 0 HB3 ALA A 37 36.921 -2.680 -14.987 1.00 0.00 H new ATOM 525 N TYR A 38 39.064 -1.589 -12.200 1.00 0.00 N ATOM 526 CA TYR A 38 40.352 -0.844 -12.184 1.00 0.00 C ATOM 527 C TYR A 38 41.526 -1.836 -12.303 1.00 0.00 C ATOM 528 O TYR A 38 41.739 -2.657 -11.422 1.00 0.00 O ATOM 529 CB TYR A 38 40.485 -0.069 -10.885 1.00 0.00 C ATOM 530 CG TYR A 38 39.389 0.966 -10.813 1.00 0.00 C ATOM 531 CD1 TYR A 38 38.106 0.596 -10.399 1.00 0.00 C ATOM 532 CD2 TYR A 38 39.660 2.297 -11.154 1.00 0.00 C ATOM 533 CE1 TYR A 38 37.091 1.556 -10.326 1.00 0.00 C ATOM 534 CE2 TYR A 38 38.645 3.258 -11.080 1.00 0.00 C ATOM 535 CZ TYR A 38 37.360 2.887 -10.665 1.00 0.00 C ATOM 536 OH TYR A 38 36.358 3.834 -10.592 1.00 0.00 O ATOM 0 H TYR A 38 39.018 -2.377 -11.554 1.00 0.00 H new ATOM 0 HA TYR A 38 40.370 -0.150 -13.024 1.00 0.00 H new ATOM 0 HB2 TYR A 38 40.418 -0.747 -10.034 1.00 0.00 H new ATOM 0 HB3 TYR A 38 41.461 0.413 -10.833 1.00 0.00 H new ATOM 0 HD1 TYR A 38 37.898 -0.431 -10.136 1.00 0.00 H new ATOM 0 HD2 TYR A 38 40.651 2.582 -11.474 1.00 0.00 H new ATOM 0 HE1 TYR A 38 36.099 1.270 -10.008 1.00 0.00 H new ATOM 0 HE2 TYR A 38 38.853 4.285 -11.343 1.00 0.00 H new ATOM 0 HH TYR A 38 36.713 4.707 -10.860 1.00 0.00 H new ATOM 546 N PRO A 39 42.288 -1.765 -13.372 1.00 0.00 N ATOM 547 CA PRO A 39 43.452 -2.665 -13.587 1.00 0.00 C ATOM 548 C PRO A 39 44.667 -2.230 -12.773 1.00 0.00 C ATOM 549 O PRO A 39 44.731 -1.121 -12.268 1.00 0.00 O ATOM 550 CB PRO A 39 43.725 -2.549 -15.089 1.00 0.00 C ATOM 551 CG PRO A 39 43.259 -1.178 -15.461 1.00 0.00 C ATOM 552 CD PRO A 39 42.125 -0.829 -14.502 1.00 0.00 C ATOM 0 HA PRO A 39 43.249 -3.687 -13.267 1.00 0.00 H new ATOM 0 HB2 PRO A 39 44.785 -2.679 -15.309 1.00 0.00 H new ATOM 0 HB3 PRO A 39 43.187 -3.314 -15.648 1.00 0.00 H new ATOM 0 HG2 PRO A 39 44.072 -0.457 -15.379 1.00 0.00 H new ATOM 0 HG3 PRO A 39 42.914 -1.153 -16.495 1.00 0.00 H new ATOM 0 HD2 PRO A 39 42.192 0.207 -14.171 1.00 0.00 H new ATOM 0 HD3 PRO A 39 41.152 -0.949 -14.979 1.00 0.00 H new ATOM 560 N VAL A 40 45.628 -3.103 -12.641 1.00 0.00 N ATOM 561 CA VAL A 40 46.855 -2.765 -11.861 1.00 0.00 C ATOM 562 C VAL A 40 48.002 -2.461 -12.811 1.00 0.00 C ATOM 563 O VAL A 40 48.271 -3.193 -13.742 1.00 0.00 O ATOM 564 CB VAL A 40 47.229 -3.939 -10.959 1.00 0.00 C ATOM 565 CG1 VAL A 40 48.599 -3.676 -10.330 1.00 0.00 C ATOM 566 CG2 VAL A 40 46.176 -4.073 -9.858 1.00 0.00 C ATOM 0 H VAL A 40 45.617 -4.041 -13.042 1.00 0.00 H new ATOM 0 HA VAL A 40 46.659 -1.887 -11.246 1.00 0.00 H new ATOM 0 HB VAL A 40 47.270 -4.859 -11.542 1.00 0.00 H new ATOM 0 HG11 VAL A 40 48.870 -4.512 -9.685 1.00 0.00 H new ATOM 0 HG12 VAL A 40 49.346 -3.568 -11.117 1.00 0.00 H new ATOM 0 HG13 VAL A 40 48.559 -2.761 -9.740 1.00 0.00 H new ATOM 0 HG21 VAL A 40 46.434 -4.909 -9.208 1.00 0.00 H new ATOM 0 HG22 VAL A 40 46.143 -3.154 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 40 45.199 -4.251 -10.308 1.00 0.00 H new ATOM 576 N ARG A 41 48.682 -1.375 -12.564 1.00 0.00 N ATOM 577 CA ARG A 41 49.834 -0.977 -13.426 1.00 0.00 C ATOM 578 C ARG A 41 51.094 -0.868 -12.578 1.00 0.00 C ATOM 579 O ARG A 41 51.115 -0.230 -11.549 1.00 0.00 O ATOM 580 CB ARG A 41 49.537 0.374 -14.077 1.00 0.00 C ATOM 581 CG ARG A 41 50.677 0.721 -15.037 1.00 0.00 C ATOM 582 CD ARG A 41 50.360 2.019 -15.781 1.00 0.00 C ATOM 583 NE ARG A 41 50.267 3.145 -14.804 1.00 0.00 N ATOM 584 CZ ARG A 41 51.340 3.793 -14.432 1.00 0.00 C ATOM 585 NH1 ARG A 41 52.513 3.463 -14.908 1.00 0.00 N ATOM 586 NH2 ARG A 41 51.238 4.776 -13.583 1.00 0.00 N ATOM 0 H ARG A 41 48.487 -0.738 -11.792 1.00 0.00 H new ATOM 0 HA ARG A 41 49.985 -1.729 -14.200 1.00 0.00 H new ATOM 0 HB2 ARG A 41 48.590 0.333 -14.615 1.00 0.00 H new ATOM 0 HB3 ARG A 41 49.438 1.147 -13.314 1.00 0.00 H new ATOM 0 HG2 ARG A 41 51.609 0.829 -14.483 1.00 0.00 H new ATOM 0 HG3 ARG A 41 50.822 -0.090 -15.750 1.00 0.00 H new ATOM 0 HD2 ARG A 41 51.136 2.227 -16.518 1.00 0.00 H new ATOM 0 HD3 ARG A 41 49.421 1.918 -16.326 1.00 0.00 H new ATOM 0 HE ARG A 41 49.359 3.411 -14.424 1.00 0.00 H new ATOM 0 HH11 ARG A 41 52.595 2.695 -15.574 1.00 0.00 H new ATOM 0 HH12 ARG A 41 53.345 3.974 -14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 41 50.324 5.037 -13.212 1.00 0.00 H new ATOM 0 HH22 ARG A 41 52.072 5.285 -13.289 1.00 0.00 H new ATOM 600 N ASP A 42 52.141 -1.503 -13.016 1.00 0.00 N ATOM 601 CA ASP A 42 53.429 -1.470 -12.274 1.00 0.00 C ATOM 602 C ASP A 42 53.209 -1.987 -10.857 1.00 0.00 C ATOM 603 O ASP A 42 53.883 -1.594 -9.926 1.00 0.00 O ATOM 604 CB ASP A 42 53.974 -0.041 -12.241 1.00 0.00 C ATOM 605 CG ASP A 42 54.443 0.358 -13.641 1.00 0.00 C ATOM 606 OD1 ASP A 42 54.574 -0.522 -14.478 1.00 0.00 O ATOM 607 OD2 ASP A 42 54.660 1.539 -13.854 1.00 0.00 O ATOM 0 H ASP A 42 52.159 -2.054 -13.874 1.00 0.00 H new ATOM 0 HA ASP A 42 54.157 -2.107 -12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 42 53.202 0.646 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 42 54.802 0.028 -11.535 1.00 0.00 H new ATOM 612 N GLY A 43 52.276 -2.883 -10.698 1.00 0.00 N ATOM 613 CA GLY A 43 51.996 -3.463 -9.357 1.00 0.00 C ATOM 614 C GLY A 43 51.203 -2.467 -8.533 1.00 0.00 C ATOM 615 O GLY A 43 50.953 -2.683 -7.363 1.00 0.00 O ATOM 0 H GLY A 43 51.688 -3.242 -11.450 1.00 0.00 H new ATOM 0 HA2 GLY A 43 51.437 -4.393 -9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.931 -3.707 -8.852 1.00 0.00 H new ATOM 619 N ILE A 44 50.805 -1.371 -9.133 1.00 0.00 N ATOM 620 CA ILE A 44 50.032 -0.340 -8.392 1.00 0.00 C ATOM 621 C ILE A 44 48.607 -0.248 -8.968 1.00 0.00 C ATOM 622 O ILE A 44 48.424 -0.133 -10.172 1.00 0.00 O ATOM 623 CB ILE A 44 50.713 1.015 -8.529 1.00 0.00 C ATOM 624 CG1 ILE A 44 52.190 0.868 -8.158 1.00 0.00 C ATOM 625 CG2 ILE A 44 50.046 2.012 -7.578 1.00 0.00 C ATOM 626 CD1 ILE A 44 52.887 2.222 -8.292 1.00 0.00 C ATOM 0 H ILE A 44 50.987 -1.150 -10.112 1.00 0.00 H new ATOM 0 HA ILE A 44 49.986 -0.620 -7.340 1.00 0.00 H new ATOM 0 HB ILE A 44 50.624 1.375 -9.554 1.00 0.00 H new ATOM 0 HG12 ILE A 44 52.284 0.498 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 44 52.668 0.135 -8.808 1.00 0.00 H new ATOM 0 HG21 ILE A 44 50.530 2.984 -7.672 1.00 0.00 H new ATOM 0 HG22 ILE A 44 48.990 2.106 -7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 44 50.142 1.657 -6.552 1.00 0.00 H new ATOM 0 HD11 ILE A 44 53.939 2.117 -8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 44 52.804 2.574 -9.320 1.00 0.00 H new ATOM 0 HD13 ILE A 44 52.415 2.942 -7.624 1.00 0.00 H new ATOM 638 N PRO A 45 47.602 -0.291 -8.120 1.00 0.00 N ATOM 639 CA PRO A 45 46.181 -0.206 -8.556 1.00 0.00 C ATOM 640 C PRO A 45 45.813 1.192 -9.043 1.00 0.00 C ATOM 641 O PRO A 45 46.237 2.187 -8.490 1.00 0.00 O ATOM 642 CB PRO A 45 45.389 -0.591 -7.299 1.00 0.00 C ATOM 643 CG PRO A 45 46.289 -0.266 -6.150 1.00 0.00 C ATOM 644 CD PRO A 45 47.711 -0.429 -6.656 1.00 0.00 C ATOM 0 HA PRO A 45 45.970 -0.857 -9.404 1.00 0.00 H new ATOM 0 HB2 PRO A 45 44.455 -0.033 -7.237 1.00 0.00 H new ATOM 0 HB3 PRO A 45 45.128 -1.649 -7.307 1.00 0.00 H new ATOM 0 HG2 PRO A 45 46.117 0.751 -5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 45 46.098 -0.931 -5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 45 48.371 0.329 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 45 48.122 -1.400 -6.379 1.00 0.00 H new ATOM 652 N VAL A 46 45.017 1.267 -10.072 1.00 0.00 N ATOM 653 CA VAL A 46 44.609 2.597 -10.610 1.00 0.00 C ATOM 654 C VAL A 46 43.332 3.062 -9.918 1.00 0.00 C ATOM 655 O VAL A 46 42.349 2.357 -9.860 1.00 0.00 O ATOM 656 CB VAL A 46 44.360 2.482 -12.114 1.00 0.00 C ATOM 657 CG1 VAL A 46 43.830 3.815 -12.642 1.00 0.00 C ATOM 658 CG2 VAL A 46 45.674 2.140 -12.819 1.00 0.00 C ATOM 0 H VAL A 46 44.630 0.463 -10.566 1.00 0.00 H new ATOM 0 HA VAL A 46 45.403 3.320 -10.425 1.00 0.00 H new ATOM 0 HB VAL A 46 43.628 1.697 -12.306 1.00 0.00 H new ATOM 0 HG11 VAL A 46 43.651 3.736 -13.714 1.00 0.00 H new ATOM 0 HG12 VAL A 46 42.897 4.062 -12.136 1.00 0.00 H new ATOM 0 HG13 VAL A 46 44.563 4.599 -12.453 1.00 0.00 H new ATOM 0 HG21 VAL A 46 45.500 2.057 -13.892 1.00 0.00 H new ATOM 0 HG22 VAL A 46 46.404 2.927 -12.629 1.00 0.00 H new ATOM 0 HG23 VAL A 46 46.055 1.192 -12.439 1.00 0.00 H new ATOM 668 N LEU A 47 43.351 4.258 -9.401 1.00 0.00 N ATOM 669 CA LEU A 47 42.151 4.820 -8.706 1.00 0.00 C ATOM 670 C LEU A 47 41.679 6.056 -9.457 1.00 0.00 C ATOM 671 O LEU A 47 41.120 6.964 -8.882 1.00 0.00 O ATOM 672 CB LEU A 47 42.530 5.194 -7.272 1.00 0.00 C ATOM 673 CG LEU A 47 43.076 3.954 -6.555 1.00 0.00 C ATOM 674 CD1 LEU A 47 43.510 4.337 -5.139 1.00 0.00 C ATOM 675 CD2 LEU A 47 41.985 2.870 -6.484 1.00 0.00 C ATOM 0 H LEU A 47 44.157 4.882 -9.429 1.00 0.00 H new ATOM 0 HA LEU A 47 41.350 4.082 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 47 43.279 5.986 -7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 47 41.660 5.581 -6.742 1.00 0.00 H new ATOM 0 HG LEU A 47 43.932 3.565 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 47 43.899 3.457 -4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 47 44.287 5.100 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 47 42.654 4.728 -4.589 1.00 0.00 H new ATOM 0 HD21 LEU A 47 42.378 1.991 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 47 41.125 3.254 -5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 47 41.678 2.596 -7.493 1.00 0.00 H new ATOM 687 N LEU A 48 41.890 6.091 -10.745 1.00 0.00 N ATOM 688 CA LEU A 48 41.449 7.268 -11.558 1.00 0.00 C ATOM 689 C LEU A 48 40.143 6.934 -12.275 1.00 0.00 C ATOM 690 O LEU A 48 39.993 5.905 -12.907 1.00 0.00 O ATOM 691 CB LEU A 48 42.538 7.621 -12.580 1.00 0.00 C ATOM 692 CG LEU A 48 43.590 8.508 -11.913 1.00 0.00 C ATOM 693 CD1 LEU A 48 44.248 7.747 -10.757 1.00 0.00 C ATOM 694 CD2 LEU A 48 44.647 8.899 -12.943 1.00 0.00 C ATOM 0 H LEU A 48 42.352 5.352 -11.275 1.00 0.00 H new ATOM 0 HA LEU A 48 41.285 8.124 -10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 48 43.002 6.712 -12.962 1.00 0.00 H new ATOM 0 HB3 LEU A 48 42.098 8.138 -13.433 1.00 0.00 H new ATOM 0 HG LEU A 48 43.114 9.408 -11.522 1.00 0.00 H new ATOM 0 HD11 LEU A 48 44.997 8.381 -10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 43.490 7.472 -10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 48 44.726 6.845 -11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 48 45.399 9.532 -12.471 1.00 0.00 H new ATOM 0 HD22 LEU A 48 45.123 8.000 -13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 48 44.175 9.445 -13.760 1.00 0.00 H new ATOM 706 N VAL A 49 39.196 7.816 -12.172 1.00 0.00 N ATOM 707 CA VAL A 49 37.877 7.601 -12.819 1.00 0.00 C ATOM 708 C VAL A 49 38.045 7.585 -14.338 1.00 0.00 C ATOM 709 O VAL A 49 37.458 6.776 -15.028 1.00 0.00 O ATOM 710 CB VAL A 49 36.929 8.739 -12.431 1.00 0.00 C ATOM 711 CG1 VAL A 49 35.592 8.548 -13.145 1.00 0.00 C ATOM 712 CG2 VAL A 49 36.708 8.722 -10.918 1.00 0.00 C ATOM 0 H VAL A 49 39.281 8.693 -11.658 1.00 0.00 H new ATOM 0 HA VAL A 49 37.465 6.648 -12.488 1.00 0.00 H new ATOM 0 HB VAL A 49 37.364 9.695 -12.723 1.00 0.00 H new ATOM 0 HG11 VAL A 49 34.914 9.357 -12.871 1.00 0.00 H new ATOM 0 HG12 VAL A 49 35.751 8.557 -14.223 1.00 0.00 H new ATOM 0 HG13 VAL A 49 35.156 7.594 -12.851 1.00 0.00 H new ATOM 0 HG21 VAL A 49 36.033 9.532 -10.640 1.00 0.00 H new ATOM 0 HG22 VAL A 49 36.270 7.768 -10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 49 37.663 8.855 -10.409 1.00 0.00 H new ATOM 722 N ASP A 50 38.827 8.486 -14.861 1.00 0.00 N ATOM 723 CA ASP A 50 39.026 8.548 -16.337 1.00 0.00 C ATOM 724 C ASP A 50 39.725 7.279 -16.807 1.00 0.00 C ATOM 725 O ASP A 50 39.723 6.958 -17.975 1.00 0.00 O ATOM 726 CB ASP A 50 39.899 9.761 -16.684 1.00 0.00 C ATOM 727 CG ASP A 50 39.092 11.045 -16.486 1.00 0.00 C ATOM 728 OD1 ASP A 50 37.884 10.947 -16.354 1.00 0.00 O ATOM 729 OD2 ASP A 50 39.697 12.105 -16.471 1.00 0.00 O ATOM 0 H ASP A 50 39.341 9.187 -14.327 1.00 0.00 H new ATOM 0 HA ASP A 50 38.058 8.639 -16.830 1.00 0.00 H new ATOM 0 HB2 ASP A 50 40.787 9.776 -16.052 1.00 0.00 H new ATOM 0 HB3 ASP A 50 40.243 9.691 -17.716 1.00 0.00 H new ATOM 734 N GLU A 51 40.326 6.554 -15.905 1.00 0.00 N ATOM 735 CA GLU A 51 41.034 5.295 -16.292 1.00 0.00 C ATOM 736 C GLU A 51 40.146 4.101 -15.935 1.00 0.00 C ATOM 737 O GLU A 51 40.396 2.987 -16.344 1.00 0.00 O ATOM 738 CB GLU A 51 42.347 5.202 -15.513 1.00 0.00 C ATOM 739 CG GLU A 51 43.233 6.402 -15.862 1.00 0.00 C ATOM 740 CD GLU A 51 43.627 6.336 -17.338 1.00 0.00 C ATOM 741 OE1 GLU A 51 43.535 5.261 -17.909 1.00 0.00 O ATOM 742 OE2 GLU A 51 44.015 7.360 -17.873 1.00 0.00 O ATOM 0 H GLU A 51 40.359 6.778 -14.910 1.00 0.00 H new ATOM 0 HA GLU A 51 41.243 5.294 -17.362 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.146 5.184 -14.442 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.862 4.273 -15.757 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.701 7.331 -15.658 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.126 6.402 -15.236 1.00 0.00 H new ATOM 749 N ALA A 52 39.117 4.332 -15.167 1.00 0.00 N ATOM 750 CA ALA A 52 38.206 3.220 -14.761 1.00 0.00 C ATOM 751 C ALA A 52 37.641 2.533 -15.992 1.00 0.00 C ATOM 752 O ALA A 52 37.341 3.158 -16.990 1.00 0.00 O ATOM 753 CB ALA A 52 37.056 3.781 -13.922 1.00 0.00 C ATOM 0 H ALA A 52 38.865 5.250 -14.800 1.00 0.00 H new ATOM 0 HA ALA A 52 38.771 2.496 -14.174 1.00 0.00 H new ATOM 0 HB1 ALA A 52 36.392 2.969 -13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 52 37.457 4.264 -13.031 1.00 0.00 H new ATOM 0 HB3 ALA A 52 36.498 4.510 -14.510 1.00 0.00 H new ATOM 759 N ARG A 53 37.494 1.238 -15.921 1.00 0.00 N ATOM 760 CA ARG A 53 36.953 0.462 -17.079 1.00 0.00 C ATOM 761 C ARG A 53 35.522 0.036 -16.788 1.00 0.00 C ATOM 762 O ARG A 53 35.149 -0.231 -15.655 1.00 0.00 O ATOM 763 CB ARG A 53 37.816 -0.774 -17.313 1.00 0.00 C ATOM 764 CG ARG A 53 39.234 -0.338 -17.693 1.00 0.00 C ATOM 765 CD ARG A 53 40.093 -1.575 -17.975 1.00 0.00 C ATOM 766 NE ARG A 53 40.241 -2.374 -16.724 1.00 0.00 N ATOM 767 CZ ARG A 53 40.826 -3.543 -16.753 1.00 0.00 C ATOM 768 NH1 ARG A 53 41.297 -4.020 -17.878 1.00 0.00 N ATOM 769 NH2 ARG A 53 40.943 -4.236 -15.656 1.00 0.00 N ATOM 0 H ARG A 53 37.728 0.677 -15.102 1.00 0.00 H new ATOM 0 HA ARG A 53 36.968 1.089 -17.971 1.00 0.00 H new ATOM 0 HB2 ARG A 53 37.841 -1.389 -16.414 1.00 0.00 H new ATOM 0 HB3 ARG A 53 37.387 -1.386 -18.106 1.00 0.00 H new ATOM 0 HG2 ARG A 53 39.204 0.305 -18.573 1.00 0.00 H new ATOM 0 HG3 ARG A 53 39.674 0.247 -16.885 1.00 0.00 H new ATOM 0 HD2 ARG A 53 39.631 -2.182 -18.754 1.00 0.00 H new ATOM 0 HD3 ARG A 53 41.073 -1.274 -18.345 1.00 0.00 H new ATOM 0 HE ARG A 53 39.884 -2.007 -15.842 1.00 0.00 H new ATOM 0 HH11 ARG A 53 41.209 -3.479 -18.738 1.00 0.00 H new ATOM 0 HH12 ARG A 53 41.752 -4.933 -17.894 1.00 0.00 H new ATOM 0 HH21 ARG A 53 40.579 -3.866 -14.778 1.00 0.00 H new ATOM 0 HH22 ARG A 53 41.399 -5.148 -15.675 1.00 0.00 H new ATOM 783 N ARG A 54 34.716 -0.017 -17.812 1.00 0.00 N ATOM 784 CA ARG A 54 33.293 -0.406 -17.640 1.00 0.00 C ATOM 785 C ARG A 54 33.168 -1.932 -17.615 1.00 0.00 C ATOM 786 O ARG A 54 33.959 -2.639 -18.208 1.00 0.00 O ATOM 787 CB ARG A 54 32.467 0.157 -18.810 1.00 0.00 C ATOM 788 CG ARG A 54 32.109 1.614 -18.518 1.00 0.00 C ATOM 789 CD ARG A 54 33.389 2.398 -18.215 1.00 0.00 C ATOM 790 NE ARG A 54 33.098 3.858 -18.253 1.00 0.00 N ATOM 791 CZ ARG A 54 33.997 4.719 -17.853 1.00 0.00 C ATOM 792 NH1 ARG A 54 35.159 4.306 -17.414 1.00 0.00 N ATOM 793 NH2 ARG A 54 33.735 5.995 -17.894 1.00 0.00 N ATOM 0 H ARG A 54 34.989 0.196 -18.772 1.00 0.00 H new ATOM 0 HA ARG A 54 32.921 -0.002 -16.698 1.00 0.00 H new ATOM 0 HB2 ARG A 54 33.035 0.089 -19.738 1.00 0.00 H new ATOM 0 HB3 ARG A 54 31.560 -0.432 -18.947 1.00 0.00 H new ATOM 0 HG2 ARG A 54 31.594 2.052 -19.373 1.00 0.00 H new ATOM 0 HG3 ARG A 54 31.425 1.670 -17.671 1.00 0.00 H new ATOM 0 HD2 ARG A 54 33.776 2.119 -17.235 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.161 2.151 -18.944 1.00 0.00 H new ATOM 0 HE ARG A 54 32.194 4.187 -18.592 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.367 3.308 -17.383 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.856 4.982 -17.103 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.831 6.319 -18.237 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.434 6.669 -17.583 1.00 0.00 H new ATOM 807 N PRO A 55 32.167 -2.429 -16.936 1.00 0.00 N ATOM 808 CA PRO A 55 31.917 -3.893 -16.824 1.00 0.00 C ATOM 809 C PRO A 55 31.490 -4.521 -18.151 1.00 0.00 C ATOM 810 O PRO A 55 30.861 -3.892 -18.978 1.00 0.00 O ATOM 811 CB PRO A 55 30.791 -3.989 -15.780 1.00 0.00 C ATOM 812 CG PRO A 55 30.085 -2.674 -15.854 1.00 0.00 C ATOM 813 CD PRO A 55 31.156 -1.648 -16.196 1.00 0.00 C ATOM 0 HA PRO A 55 32.818 -4.438 -16.541 1.00 0.00 H new ATOM 0 HB2 PRO A 55 30.114 -4.814 -16.003 1.00 0.00 H new ATOM 0 HB3 PRO A 55 31.192 -4.167 -14.782 1.00 0.00 H new ATOM 0 HG2 PRO A 55 29.304 -2.692 -16.614 1.00 0.00 H new ATOM 0 HG3 PRO A 55 29.603 -2.435 -14.906 1.00 0.00 H new ATOM 0 HD2 PRO A 55 30.754 -0.837 -16.803 1.00 0.00 H new ATOM 0 HD3 PRO A 55 31.578 -1.196 -15.299 1.00 0.00 H new ATOM 821 N GLU A 56 31.821 -5.764 -18.344 1.00 0.00 N ATOM 822 CA GLU A 56 31.436 -6.467 -19.601 1.00 0.00 C ATOM 823 C GLU A 56 31.377 -7.976 -19.346 1.00 0.00 C ATOM 824 O GLU A 56 31.063 -8.359 -18.232 1.00 0.00 O ATOM 825 CB GLU A 56 32.475 -6.169 -20.685 1.00 0.00 C ATOM 826 CG GLU A 56 33.855 -6.662 -20.232 1.00 0.00 C ATOM 827 CD GLU A 56 34.903 -6.273 -21.278 1.00 0.00 C ATOM 828 OE1 GLU A 56 34.819 -5.171 -21.791 1.00 0.00 O ATOM 829 OE2 GLU A 56 35.772 -7.087 -21.545 1.00 0.00 O ATOM 830 OXT GLU A 56 31.650 -8.722 -20.272 1.00 0.00 O ATOM 0 H GLU A 56 32.347 -6.331 -17.679 1.00 0.00 H new ATOM 0 HA GLU A 56 30.457 -6.119 -19.930 1.00 0.00 H new ATOM 0 HB2 GLU A 56 32.192 -6.658 -21.617 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.509 -5.098 -20.885 1.00 0.00 H new ATOM 0 HG2 GLU A 56 34.110 -6.226 -19.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.841 -7.744 -20.100 1.00 0.00 H new TER 837 GLU A 56 HETATM 838 ZN ZN A 150 31.694 1.661 -6.607 1.00 0.00 ZN