USER MOD reduce.3.24.130724 H: found=0, std=0, add=380, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 380 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 NoAdj-H: A 155 HIS HD1 : A 155 HIS ND1 : A 183 ZNZN :(H bumps) USER MOD NoAdj-H: A 158 HIS HD1 : A 158 HIS ND1 : A 182 ZNZN :(H bumps) USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 164 MET CE :methyl -161:sc= -0.395 (180deg=-1.66!) USER MOD Single : A 168 SER OG : rot 69:sc= 0.841 USER MOD Single : A 169 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 170 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 127 18.073 6.359 3.904 1.00 0.00 N ATOM 2 CA ALA A 127 16.927 5.537 3.424 1.00 0.00 C ATOM 3 C ALA A 127 17.012 5.381 1.903 1.00 0.00 C ATOM 4 O ALA A 127 16.784 4.316 1.366 1.00 0.00 O ATOM 5 CB ALA A 127 15.612 6.227 3.793 1.00 0.00 C ATOM 0 HA ALA A 127 16.965 4.554 3.893 1.00 0.00 H new ATOM 0 HB1 ALA A 127 14.774 5.625 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 127 15.550 6.338 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.573 7.211 3.325 1.00 0.00 H new ATOM 13 N MET A 128 17.338 6.434 1.205 1.00 0.00 N ATOM 14 CA MET A 128 17.438 6.345 -0.279 1.00 0.00 C ATOM 15 C MET A 128 16.202 5.632 -0.832 1.00 0.00 C ATOM 16 O MET A 128 16.140 4.419 -0.875 1.00 0.00 O ATOM 17 CB MET A 128 18.694 5.557 -0.658 1.00 0.00 C ATOM 18 CG MET A 128 19.014 5.787 -2.137 1.00 0.00 C ATOM 19 SD MET A 128 18.416 4.382 -3.109 1.00 0.00 S ATOM 20 CE MET A 128 17.974 5.309 -4.599 1.00 0.00 C ATOM 0 H MET A 128 17.540 7.353 1.599 1.00 0.00 H new ATOM 0 HA MET A 128 17.497 7.348 -0.701 1.00 0.00 H new ATOM 0 HB2 MET A 128 19.534 5.872 -0.040 1.00 0.00 H new ATOM 0 HB3 MET A 128 18.540 4.495 -0.469 1.00 0.00 H new ATOM 0 HG2 MET A 128 18.545 6.708 -2.483 1.00 0.00 H new ATOM 0 HG3 MET A 128 20.089 5.906 -2.273 1.00 0.00 H new ATOM 0 HE1 MET A 128 17.575 4.625 -5.348 1.00 0.00 H new ATOM 0 HE2 MET A 128 17.221 6.057 -4.352 1.00 0.00 H new ATOM 0 HE3 MET A 128 18.860 5.804 -4.996 1.00 0.00 H new ATOM 30 N ASP A 129 15.217 6.376 -1.254 1.00 0.00 N ATOM 31 CA ASP A 129 13.986 5.747 -1.802 1.00 0.00 C ATOM 32 C ASP A 129 14.349 4.868 -3.001 1.00 0.00 C ATOM 33 O ASP A 129 14.756 5.354 -4.039 1.00 0.00 O ATOM 34 CB ASP A 129 13.022 6.845 -2.246 1.00 0.00 C ATOM 35 CG ASP A 129 12.652 7.717 -1.045 1.00 0.00 C ATOM 36 OD1 ASP A 129 13.544 8.339 -0.493 1.00 0.00 O ATOM 37 OD2 ASP A 129 11.483 7.748 -0.698 1.00 0.00 O ATOM 0 H ASP A 129 15.213 7.396 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 129 13.515 5.131 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 129 13.482 7.455 -3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 129 12.124 6.402 -2.678 1.00 0.00 H new ATOM 42 N ASP A 130 14.203 3.579 -2.870 1.00 0.00 N ATOM 43 CA ASP A 130 14.537 2.671 -4.003 1.00 0.00 C ATOM 44 C ASP A 130 13.254 2.297 -4.747 1.00 0.00 C ATOM 45 O ASP A 130 13.065 1.166 -5.149 1.00 0.00 O ATOM 46 CB ASP A 130 15.205 1.404 -3.465 1.00 0.00 C ATOM 47 CG ASP A 130 16.342 1.789 -2.517 1.00 0.00 C ATOM 48 OD1 ASP A 130 16.056 2.078 -1.367 1.00 0.00 O ATOM 49 OD2 ASP A 130 17.480 1.787 -2.957 1.00 0.00 O ATOM 0 H ASP A 130 13.867 3.114 -2.027 1.00 0.00 H new ATOM 0 HA ASP A 130 15.220 3.176 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 130 14.473 0.789 -2.941 1.00 0.00 H new ATOM 0 HB3 ASP A 130 15.592 0.806 -4.290 1.00 0.00 H new ATOM 54 N GLY A 131 12.369 3.239 -4.932 1.00 0.00 N ATOM 55 CA GLY A 131 11.096 2.938 -5.647 1.00 0.00 C ATOM 56 C GLY A 131 9.914 3.197 -4.712 1.00 0.00 C ATOM 57 O GLY A 131 9.986 4.016 -3.817 1.00 0.00 O ATOM 0 H GLY A 131 12.473 4.204 -4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 131 11.011 3.559 -6.539 1.00 0.00 H new ATOM 0 HA3 GLY A 131 11.090 1.900 -5.980 1.00 0.00 H new ATOM 61 N VAL A 132 8.826 2.504 -4.908 1.00 0.00 N ATOM 62 CA VAL A 132 7.642 2.712 -4.027 1.00 0.00 C ATOM 63 C VAL A 132 7.956 2.190 -2.623 1.00 0.00 C ATOM 64 O VAL A 132 8.594 1.168 -2.460 1.00 0.00 O ATOM 65 CB VAL A 132 6.442 1.953 -4.599 1.00 0.00 C ATOM 66 CG1 VAL A 132 5.209 2.227 -3.738 1.00 0.00 C ATOM 67 CG2 VAL A 132 6.178 2.426 -6.031 1.00 0.00 C ATOM 0 H VAL A 132 8.706 1.803 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 132 7.407 3.775 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 132 6.654 0.884 -4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 132 4.354 1.687 -4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 132 5.397 1.894 -2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.996 3.296 -3.737 1.00 0.00 H new ATOM 0 HG21 VAL A 132 5.324 1.887 -6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 132 5.965 3.495 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 132 7.057 2.233 -6.646 1.00 0.00 H new ATOM 77 N GLU A 133 7.515 2.881 -1.607 1.00 0.00 N ATOM 78 CA GLU A 133 7.793 2.420 -0.217 1.00 0.00 C ATOM 79 C GLU A 133 6.497 1.977 0.461 1.00 0.00 C ATOM 80 O GLU A 133 5.451 2.569 0.286 1.00 0.00 O ATOM 81 CB GLU A 133 8.420 3.558 0.591 1.00 0.00 C ATOM 82 CG GLU A 133 9.943 3.484 0.479 1.00 0.00 C ATOM 83 CD GLU A 133 10.451 4.638 -0.388 1.00 0.00 C ATOM 84 OE1 GLU A 133 10.526 4.459 -1.592 1.00 0.00 O ATOM 85 OE2 GLU A 133 10.756 5.680 0.168 1.00 0.00 O ATOM 0 H GLU A 133 6.975 3.743 -1.679 1.00 0.00 H new ATOM 0 HA GLU A 133 8.483 1.577 -0.260 1.00 0.00 H new ATOM 0 HB2 GLU A 133 8.064 4.520 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 133 8.118 3.486 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 133 10.393 3.535 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 133 10.240 2.530 0.043 1.00 0.00 H new ATOM 92 N CYS A 134 6.573 0.940 1.243 1.00 0.00 N ATOM 93 CA CYS A 134 5.370 0.435 1.960 1.00 0.00 C ATOM 94 C CYS A 134 5.101 1.338 3.164 1.00 0.00 C ATOM 95 O CYS A 134 5.857 1.362 4.114 1.00 0.00 O ATOM 96 CB CYS A 134 5.665 -0.987 2.431 1.00 0.00 C ATOM 97 SG CYS A 134 4.182 -1.789 3.095 1.00 0.00 S ATOM 0 H CYS A 134 7.428 0.413 1.419 1.00 0.00 H new ATOM 0 HA CYS A 134 4.496 0.437 1.309 1.00 0.00 H new ATOM 0 HB2 CYS A 134 6.055 -1.573 1.599 1.00 0.00 H new ATOM 0 HB3 CYS A 134 6.441 -0.964 3.196 1.00 0.00 H new ATOM 102 N ALA A 135 4.041 2.095 3.127 1.00 0.00 N ATOM 103 CA ALA A 135 3.741 3.005 4.267 1.00 0.00 C ATOM 104 C ALA A 135 3.445 2.186 5.526 1.00 0.00 C ATOM 105 O ALA A 135 3.319 2.723 6.607 1.00 0.00 O ATOM 106 CB ALA A 135 2.525 3.866 3.922 1.00 0.00 C ATOM 0 H ALA A 135 3.371 2.123 2.359 1.00 0.00 H new ATOM 0 HA ALA A 135 4.604 3.644 4.452 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.303 4.533 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.738 4.457 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 135 1.665 3.223 3.734 1.00 0.00 H new ATOM 112 N VAL A 136 3.325 0.891 5.400 1.00 0.00 N ATOM 113 CA VAL A 136 3.027 0.061 6.601 1.00 0.00 C ATOM 114 C VAL A 136 4.311 -0.569 7.151 1.00 0.00 C ATOM 115 O VAL A 136 4.742 -0.248 8.241 1.00 0.00 O ATOM 116 CB VAL A 136 2.045 -1.040 6.223 1.00 0.00 C ATOM 117 CG1 VAL A 136 1.834 -1.963 7.426 1.00 0.00 C ATOM 118 CG2 VAL A 136 0.708 -0.414 5.822 1.00 0.00 C ATOM 0 H VAL A 136 3.420 0.376 4.524 1.00 0.00 H new ATOM 0 HA VAL A 136 2.592 0.699 7.370 1.00 0.00 H new ATOM 0 HB VAL A 136 2.443 -1.614 5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 136 1.132 -2.753 7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 136 2.786 -2.407 7.715 1.00 0.00 H new ATOM 0 HG13 VAL A 136 1.434 -1.387 8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 136 0.004 -1.201 5.551 1.00 0.00 H new ATOM 0 HG22 VAL A 136 0.308 0.158 6.659 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.857 0.248 4.969 1.00 0.00 H new ATOM 128 N CYS A 137 4.932 -1.467 6.424 1.00 0.00 N ATOM 129 CA CYS A 137 6.178 -2.088 6.959 1.00 0.00 C ATOM 130 C CYS A 137 7.404 -1.317 6.457 1.00 0.00 C ATOM 131 O CYS A 137 8.484 -1.430 7.003 1.00 0.00 O ATOM 132 CB CYS A 137 6.283 -3.566 6.550 1.00 0.00 C ATOM 133 SG CYS A 137 6.824 -3.718 4.828 1.00 0.00 S ATOM 0 H CYS A 137 4.636 -1.790 5.503 1.00 0.00 H new ATOM 0 HA CYS A 137 6.141 -2.040 8.047 1.00 0.00 H new ATOM 0 HB2 CYS A 137 6.987 -4.080 7.204 1.00 0.00 H new ATOM 0 HB3 CYS A 137 5.316 -4.053 6.677 1.00 0.00 H new ATOM 138 N LEU A 138 7.246 -0.536 5.423 1.00 0.00 N ATOM 139 CA LEU A 138 8.402 0.239 4.890 1.00 0.00 C ATOM 140 C LEU A 138 9.500 -0.728 4.453 1.00 0.00 C ATOM 141 O LEU A 138 10.672 -0.501 4.685 1.00 0.00 O ATOM 142 CB LEU A 138 8.938 1.165 5.981 1.00 0.00 C ATOM 143 CG LEU A 138 7.775 1.921 6.624 1.00 0.00 C ATOM 144 CD1 LEU A 138 8.127 2.263 8.073 1.00 0.00 C ATOM 145 CD2 LEU A 138 7.514 3.212 5.845 1.00 0.00 C ATOM 0 H LEU A 138 6.366 -0.401 4.925 1.00 0.00 H new ATOM 0 HA LEU A 138 8.082 0.835 4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 138 9.471 0.586 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 138 9.653 1.869 5.556 1.00 0.00 H new ATOM 0 HG LEU A 138 6.881 1.297 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 138 7.298 2.802 8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 138 8.314 1.344 8.629 1.00 0.00 H new ATOM 0 HD13 LEU A 138 9.021 2.887 8.093 1.00 0.00 H new ATOM 0 HD21 LEU A 138 6.685 3.752 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 138 8.408 3.836 5.864 1.00 0.00 H new ATOM 0 HD23 LEU A 138 7.263 2.969 4.812 1.00 0.00 H new ATOM 157 N ALA A 139 9.131 -1.807 3.824 1.00 0.00 N ATOM 158 CA ALA A 139 10.151 -2.793 3.371 1.00 0.00 C ATOM 159 C ALA A 139 10.326 -2.682 1.855 1.00 0.00 C ATOM 160 O ALA A 139 9.372 -2.735 1.104 1.00 0.00 O ATOM 161 CB ALA A 139 9.689 -4.206 3.730 1.00 0.00 C ATOM 0 H ALA A 139 8.165 -2.050 3.603 1.00 0.00 H new ATOM 0 HA ALA A 139 11.101 -2.587 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 139 10.435 -4.928 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 139 9.563 -4.284 4.810 1.00 0.00 H new ATOM 0 HB3 ALA A 139 8.739 -4.414 3.238 1.00 0.00 H new ATOM 167 N GLU A 140 11.539 -2.532 1.399 1.00 0.00 N ATOM 168 CA GLU A 140 11.774 -2.420 -0.067 1.00 0.00 C ATOM 169 C GLU A 140 10.958 -3.493 -0.789 1.00 0.00 C ATOM 170 O GLU A 140 11.151 -4.675 -0.587 1.00 0.00 O ATOM 171 CB GLU A 140 13.261 -2.629 -0.363 1.00 0.00 C ATOM 172 CG GLU A 140 13.842 -1.360 -0.989 1.00 0.00 C ATOM 173 CD GLU A 140 15.269 -1.636 -1.466 1.00 0.00 C ATOM 174 OE1 GLU A 140 15.435 -2.521 -2.290 1.00 0.00 O ATOM 175 OE2 GLU A 140 16.170 -0.958 -1.001 1.00 0.00 O ATOM 0 H GLU A 140 12.377 -2.482 1.978 1.00 0.00 H new ATOM 0 HA GLU A 140 11.471 -1.432 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 140 13.795 -2.871 0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 140 13.392 -3.474 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 140 13.223 -1.038 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 140 13.841 -0.549 -0.261 1.00 0.00 H new ATOM 182 N LEU A 141 10.044 -3.091 -1.630 1.00 0.00 N ATOM 183 CA LEU A 141 9.216 -4.089 -2.361 1.00 0.00 C ATOM 184 C LEU A 141 10.129 -5.013 -3.168 1.00 0.00 C ATOM 185 O LEU A 141 10.606 -4.661 -4.229 1.00 0.00 O ATOM 186 CB LEU A 141 8.257 -3.362 -3.304 1.00 0.00 C ATOM 187 CG LEU A 141 6.991 -2.973 -2.540 1.00 0.00 C ATOM 188 CD1 LEU A 141 6.314 -1.792 -3.238 1.00 0.00 C ATOM 189 CD2 LEU A 141 6.031 -4.163 -2.506 1.00 0.00 C ATOM 0 H LEU A 141 9.836 -2.115 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 141 8.642 -4.680 -1.648 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.736 -2.472 -3.713 1.00 0.00 H new ATOM 0 HB3 LEU A 141 8.003 -4.004 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 141 7.255 -2.689 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 141 5.412 -1.516 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 141 6.998 -0.943 -3.262 1.00 0.00 H new ATOM 0 HD13 LEU A 141 6.050 -2.074 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 141 5.128 -3.887 -1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 141 5.768 -4.447 -3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 141 6.512 -5.004 -2.007 1.00 0.00 H new ATOM 201 N GLU A 142 10.376 -6.196 -2.674 1.00 0.00 N ATOM 202 CA GLU A 142 11.258 -7.143 -3.412 1.00 0.00 C ATOM 203 C GLU A 142 10.443 -8.360 -3.852 1.00 0.00 C ATOM 204 O GLU A 142 9.297 -8.519 -3.481 1.00 0.00 O ATOM 205 CB GLU A 142 12.397 -7.598 -2.496 1.00 0.00 C ATOM 206 CG GLU A 142 13.341 -6.424 -2.229 1.00 0.00 C ATOM 207 CD GLU A 142 14.595 -6.570 -3.093 1.00 0.00 C ATOM 208 OE1 GLU A 142 14.461 -6.983 -4.232 1.00 0.00 O ATOM 209 OE2 GLU A 142 15.668 -6.267 -2.598 1.00 0.00 O ATOM 0 H GLU A 142 10.005 -6.547 -1.791 1.00 0.00 H new ATOM 0 HA GLU A 142 11.672 -6.646 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 142 11.993 -7.974 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 142 12.944 -8.419 -2.959 1.00 0.00 H new ATOM 0 HG2 GLU A 142 12.840 -5.482 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 142 13.615 -6.396 -1.174 1.00 0.00 H new ATOM 216 N ASP A 143 11.024 -9.221 -4.642 1.00 0.00 N ATOM 217 CA ASP A 143 10.283 -10.427 -5.104 1.00 0.00 C ATOM 218 C ASP A 143 9.986 -11.332 -3.907 1.00 0.00 C ATOM 219 O ASP A 143 10.719 -11.357 -2.939 1.00 0.00 O ATOM 220 CB ASP A 143 11.134 -11.189 -6.123 1.00 0.00 C ATOM 221 CG ASP A 143 11.192 -10.399 -7.431 1.00 0.00 C ATOM 222 OD1 ASP A 143 10.146 -9.968 -7.887 1.00 0.00 O ATOM 223 OD2 ASP A 143 12.281 -10.240 -7.955 1.00 0.00 O ATOM 0 H ASP A 143 11.980 -9.141 -4.987 1.00 0.00 H new ATOM 0 HA ASP A 143 9.346 -10.122 -5.570 1.00 0.00 H new ATOM 0 HB2 ASP A 143 12.140 -11.340 -5.732 1.00 0.00 H new ATOM 0 HB3 ASP A 143 10.710 -12.177 -6.301 1.00 0.00 H new ATOM 228 N GLY A 144 8.916 -12.078 -3.966 1.00 0.00 N ATOM 229 CA GLY A 144 8.574 -12.980 -2.831 1.00 0.00 C ATOM 230 C GLY A 144 7.330 -12.453 -2.114 1.00 0.00 C ATOM 231 O GLY A 144 6.642 -13.182 -1.427 1.00 0.00 O ATOM 0 H GLY A 144 8.265 -12.101 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 144 8.394 -13.991 -3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 144 9.410 -13.038 -2.134 1.00 0.00 H new ATOM 235 N GLU A 145 7.035 -11.191 -2.267 1.00 0.00 N ATOM 236 CA GLU A 145 5.835 -10.619 -1.594 1.00 0.00 C ATOM 237 C GLU A 145 4.750 -10.340 -2.637 1.00 0.00 C ATOM 238 O GLU A 145 4.967 -10.477 -3.825 1.00 0.00 O ATOM 239 CB GLU A 145 6.219 -9.314 -0.894 1.00 0.00 C ATOM 240 CG GLU A 145 7.524 -9.513 -0.120 1.00 0.00 C ATOM 241 CD GLU A 145 7.390 -10.726 0.803 1.00 0.00 C ATOM 242 OE1 GLU A 145 6.540 -10.690 1.677 1.00 0.00 O ATOM 243 OE2 GLU A 145 8.140 -11.670 0.621 1.00 0.00 O ATOM 0 H GLU A 145 7.573 -10.531 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 145 5.456 -11.329 -0.858 1.00 0.00 H new ATOM 0 HB2 GLU A 145 6.337 -8.517 -1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 145 5.424 -9.006 -0.214 1.00 0.00 H new ATOM 0 HG2 GLU A 145 8.352 -9.660 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 145 7.752 -8.622 0.464 1.00 0.00 H new ATOM 250 N GLU A 146 3.581 -9.952 -2.205 1.00 0.00 N ATOM 251 CA GLU A 146 2.485 -9.669 -3.174 1.00 0.00 C ATOM 252 C GLU A 146 1.923 -8.267 -2.920 1.00 0.00 C ATOM 253 O GLU A 146 0.974 -8.094 -2.182 1.00 0.00 O ATOM 254 CB GLU A 146 1.370 -10.702 -2.998 1.00 0.00 C ATOM 255 CG GLU A 146 1.785 -12.019 -3.657 1.00 0.00 C ATOM 256 CD GLU A 146 1.275 -12.050 -5.099 1.00 0.00 C ATOM 257 OE1 GLU A 146 1.985 -11.571 -5.967 1.00 0.00 O ATOM 258 OE2 GLU A 146 0.184 -12.554 -5.310 1.00 0.00 O ATOM 0 H GLU A 146 3.338 -9.819 -1.223 1.00 0.00 H new ATOM 0 HA GLU A 146 2.878 -9.724 -4.189 1.00 0.00 H new ATOM 0 HB2 GLU A 146 1.171 -10.860 -1.938 1.00 0.00 H new ATOM 0 HB3 GLU A 146 0.446 -10.335 -3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 146 2.870 -12.120 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 146 1.379 -12.862 -3.098 1.00 0.00 H new ATOM 265 N ALA A 147 2.497 -7.267 -3.531 1.00 0.00 N ATOM 266 CA ALA A 147 1.994 -5.879 -3.325 1.00 0.00 C ATOM 267 C ALA A 147 0.609 -5.743 -3.954 1.00 0.00 C ATOM 268 O ALA A 147 0.094 -6.663 -4.556 1.00 0.00 O ATOM 269 CB ALA A 147 2.953 -4.886 -3.982 1.00 0.00 C ATOM 0 H ALA A 147 3.292 -7.351 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 147 1.931 -5.669 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 147 2.585 -3.871 -3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.942 -4.984 -3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 147 3.017 -5.094 -5.050 1.00 0.00 H new ATOM 275 N ARG A 148 -0.002 -4.601 -3.809 1.00 0.00 N ATOM 276 CA ARG A 148 -1.356 -4.399 -4.384 1.00 0.00 C ATOM 277 C ARG A 148 -1.524 -2.927 -4.762 1.00 0.00 C ATOM 278 O ARG A 148 -1.393 -2.046 -3.936 1.00 0.00 O ATOM 279 CB ARG A 148 -2.408 -4.785 -3.339 1.00 0.00 C ATOM 280 CG ARG A 148 -2.113 -6.187 -2.802 1.00 0.00 C ATOM 281 CD ARG A 148 -3.389 -6.781 -2.200 1.00 0.00 C ATOM 282 NE ARG A 148 -3.898 -7.864 -3.085 1.00 0.00 N ATOM 283 CZ ARG A 148 -4.215 -9.025 -2.580 1.00 0.00 C ATOM 284 NH1 ARG A 148 -5.349 -9.177 -1.954 1.00 0.00 N ATOM 285 NH2 ARG A 148 -3.396 -10.035 -2.702 1.00 0.00 N ATOM 0 H ARG A 148 0.382 -3.796 -3.314 1.00 0.00 H new ATOM 0 HA ARG A 148 -1.481 -5.019 -5.271 1.00 0.00 H new ATOM 0 HB2 ARG A 148 -2.404 -4.064 -2.522 1.00 0.00 H new ATOM 0 HB3 ARG A 148 -3.403 -4.757 -3.783 1.00 0.00 H new ATOM 0 HG2 ARG A 148 -1.745 -6.826 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 148 -1.329 -6.141 -2.047 1.00 0.00 H new ATOM 0 HD2 ARG A 148 -3.185 -7.176 -1.205 1.00 0.00 H new ATOM 0 HD3 ARG A 148 -4.145 -6.005 -2.086 1.00 0.00 H new ATOM 0 HE ARG A 148 -3.999 -7.699 -4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 148 -5.989 -8.388 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 148 -5.596 -10.085 -1.560 1.00 0.00 H new ATOM 0 HH21 ARG A 148 -2.509 -9.916 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 148 -3.643 -10.943 -2.308 1.00 0.00 H new ATOM 299 N PHE A 149 -1.816 -2.652 -6.003 1.00 0.00 N ATOM 300 CA PHE A 149 -1.995 -1.235 -6.429 1.00 0.00 C ATOM 301 C PHE A 149 -3.492 -0.929 -6.519 1.00 0.00 C ATOM 302 O PHE A 149 -4.283 -1.784 -6.867 1.00 0.00 O ATOM 303 CB PHE A 149 -1.349 -1.030 -7.802 1.00 0.00 C ATOM 304 CG PHE A 149 0.057 -1.584 -7.789 1.00 0.00 C ATOM 305 CD1 PHE A 149 0.265 -2.966 -7.866 1.00 0.00 C ATOM 306 CD2 PHE A 149 1.150 -0.714 -7.704 1.00 0.00 C ATOM 307 CE1 PHE A 149 1.569 -3.478 -7.856 1.00 0.00 C ATOM 308 CE2 PHE A 149 2.453 -1.226 -7.695 1.00 0.00 C ATOM 309 CZ PHE A 149 2.662 -2.608 -7.771 1.00 0.00 C ATOM 0 H PHE A 149 -1.938 -3.346 -6.740 1.00 0.00 H new ATOM 0 HA PHE A 149 -1.524 -0.569 -5.706 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.940 -1.528 -8.571 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.330 0.031 -8.051 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.579 -3.637 -7.933 1.00 0.00 H new ATOM 0 HD2 PHE A 149 0.988 0.352 -7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.731 -4.544 -7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 149 3.297 -0.555 -7.629 1.00 0.00 H new ATOM 0 HZ PHE A 149 3.667 -3.003 -7.764 1.00 0.00 H new ATOM 319 N LEU A 150 -3.896 0.274 -6.213 1.00 0.00 N ATOM 320 CA LEU A 150 -5.348 0.600 -6.293 1.00 0.00 C ATOM 321 C LEU A 150 -5.647 1.280 -7.633 1.00 0.00 C ATOM 322 O LEU A 150 -4.773 1.870 -8.236 1.00 0.00 O ATOM 323 CB LEU A 150 -5.736 1.527 -5.137 1.00 0.00 C ATOM 324 CG LEU A 150 -5.166 0.974 -3.828 1.00 0.00 C ATOM 325 CD1 LEU A 150 -5.821 1.689 -2.646 1.00 0.00 C ATOM 326 CD2 LEU A 150 -5.456 -0.526 -3.735 1.00 0.00 C ATOM 0 H LEU A 150 -3.290 1.038 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 150 -5.930 -0.319 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 150 -5.353 2.531 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU A 150 -6.821 1.607 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 150 -4.089 1.138 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 150 -5.416 1.296 -1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 150 -5.617 2.758 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 150 -6.898 1.523 -2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 150 -5.050 -0.918 -2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 150 -6.533 -0.690 -3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 150 -4.992 -1.039 -4.577 1.00 0.00 H new ATOM 338 N PRO A 151 -6.878 1.161 -8.060 1.00 0.00 N ATOM 339 CA PRO A 151 -7.339 1.740 -9.337 1.00 0.00 C ATOM 340 C PRO A 151 -7.577 3.247 -9.197 1.00 0.00 C ATOM 341 O PRO A 151 -7.935 3.918 -10.145 1.00 0.00 O ATOM 342 CB PRO A 151 -8.659 1.007 -9.602 1.00 0.00 C ATOM 343 CG PRO A 151 -9.157 0.491 -8.230 1.00 0.00 C ATOM 344 CD PRO A 151 -7.926 0.440 -7.308 1.00 0.00 C ATOM 0 HA PRO A 151 -6.615 1.624 -10.143 1.00 0.00 H new ATOM 0 HB2 PRO A 151 -9.391 1.677 -10.054 1.00 0.00 H new ATOM 0 HB3 PRO A 151 -8.511 0.181 -10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 151 -9.921 1.153 -7.821 1.00 0.00 H new ATOM 0 HG3 PRO A 151 -9.609 -0.496 -8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 151 -8.127 0.917 -6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 151 -7.629 -0.587 -7.097 1.00 0.00 H new ATOM 352 N ARG A 152 -7.394 3.781 -8.023 1.00 0.00 N ATOM 353 CA ARG A 152 -7.624 5.239 -7.824 1.00 0.00 C ATOM 354 C ARG A 152 -6.326 6.013 -8.002 1.00 0.00 C ATOM 355 O ARG A 152 -6.274 7.041 -8.646 1.00 0.00 O ATOM 356 CB ARG A 152 -8.080 5.464 -6.389 1.00 0.00 C ATOM 357 CG ARG A 152 -8.967 4.312 -5.938 1.00 0.00 C ATOM 358 CD ARG A 152 -9.873 4.786 -4.810 1.00 0.00 C ATOM 359 NE ARG A 152 -11.162 5.269 -5.387 1.00 0.00 N ATOM 360 CZ ARG A 152 -11.631 6.440 -5.051 1.00 0.00 C ATOM 361 NH1 ARG A 152 -10.891 7.507 -5.189 1.00 0.00 N ATOM 362 NH2 ARG A 152 -12.843 6.545 -4.576 1.00 0.00 N ATOM 0 H ARG A 152 -7.095 3.271 -7.192 1.00 0.00 H new ATOM 0 HA ARG A 152 -8.365 5.577 -8.548 1.00 0.00 H new ATOM 0 HB2 ARG A 152 -7.214 5.546 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 152 -8.626 6.405 -6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 152 -9.566 3.951 -6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 152 -8.354 3.476 -5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 152 -10.057 3.972 -4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 152 -9.389 5.586 -4.250 1.00 0.00 H new ATOM 0 HE ARG A 152 -11.677 4.683 -6.045 1.00 0.00 H new ATOM 0 HH11 ARG A 152 -9.944 7.427 -5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 152 -11.260 8.421 -4.926 1.00 0.00 H new ATOM 0 HH21 ARG A 152 -13.422 5.712 -4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 152 -13.210 7.460 -4.313 1.00 0.00 H new ATOM 376 N CYS A 153 -5.296 5.538 -7.382 1.00 0.00 N ATOM 377 CA CYS A 153 -3.989 6.247 -7.440 1.00 0.00 C ATOM 378 C CYS A 153 -2.902 5.350 -8.032 1.00 0.00 C ATOM 379 O CYS A 153 -2.192 5.736 -8.940 1.00 0.00 O ATOM 380 CB CYS A 153 -3.595 6.641 -6.016 1.00 0.00 C ATOM 381 SG CYS A 153 -4.011 5.289 -4.878 1.00 0.00 S ATOM 0 H CYS A 153 -5.297 4.680 -6.830 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.088 7.126 -8.076 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -2.527 6.855 -5.969 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -4.116 7.552 -5.722 1.00 0.00 H new ATOM 386 N GLY A 154 -2.746 4.166 -7.512 1.00 0.00 N ATOM 387 CA GLY A 154 -1.685 3.263 -8.028 1.00 0.00 C ATOM 388 C GLY A 154 -0.682 2.978 -6.906 1.00 0.00 C ATOM 389 O GLY A 154 0.262 2.236 -7.084 1.00 0.00 O ATOM 0 H GLY A 154 -3.309 3.785 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 154 -2.124 2.332 -8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 154 -1.179 3.723 -8.877 1.00 0.00 H new ATOM 393 N HIS A 155 -0.884 3.550 -5.743 1.00 0.00 N ATOM 394 CA HIS A 155 0.061 3.283 -4.620 1.00 0.00 C ATOM 395 C HIS A 155 0.065 1.775 -4.364 1.00 0.00 C ATOM 396 O HIS A 155 -0.972 1.174 -4.166 1.00 0.00 O ATOM 397 CB HIS A 155 -0.395 4.013 -3.347 1.00 0.00 C ATOM 398 CG HIS A 155 -0.212 5.506 -3.489 1.00 0.00 C ATOM 399 ND1 HIS A 155 -1.187 6.405 -3.067 1.00 0.00 N ATOM 400 CD2 HIS A 155 0.815 6.263 -3.992 1.00 0.00 C ATOM 401 CE1 HIS A 155 -0.718 7.643 -3.328 1.00 0.00 C ATOM 402 NE2 HIS A 155 0.494 7.612 -3.890 1.00 0.00 N ATOM 0 H HIS A 155 -1.654 4.183 -5.527 1.00 0.00 H new ATOM 0 HA HIS A 155 1.057 3.639 -4.881 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -1.443 3.788 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 155 0.176 3.652 -2.491 1.00 0.00 H new ATOM 0 HD2 HIS A 155 1.733 5.871 -4.404 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -1.258 8.552 -3.109 1.00 0.00 H new ATOM 0 HE2 HIS A 155 1.062 8.407 -4.182 1.00 0.00 H new ATOM 409 N GLY A 156 1.208 1.149 -4.392 1.00 0.00 N ATOM 410 CA GLY A 156 1.239 -0.325 -4.177 1.00 0.00 C ATOM 411 C GLY A 156 1.702 -0.661 -2.756 1.00 0.00 C ATOM 412 O GLY A 156 2.749 -0.238 -2.310 1.00 0.00 O ATOM 0 H GLY A 156 2.114 1.589 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 156 0.247 -0.742 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 156 1.909 -0.788 -4.901 1.00 0.00 H new ATOM 416 N PHE A 157 0.925 -1.444 -2.057 1.00 0.00 N ATOM 417 CA PHE A 157 1.296 -1.850 -0.671 1.00 0.00 C ATOM 418 C PHE A 157 1.268 -3.370 -0.599 1.00 0.00 C ATOM 419 O PHE A 157 0.552 -4.031 -1.318 1.00 0.00 O ATOM 420 CB PHE A 157 0.288 -1.275 0.324 1.00 0.00 C ATOM 421 CG PHE A 157 0.150 0.206 0.089 1.00 0.00 C ATOM 422 CD1 PHE A 157 -0.787 0.685 -0.830 1.00 0.00 C ATOM 423 CD2 PHE A 157 0.964 1.100 0.794 1.00 0.00 C ATOM 424 CE1 PHE A 157 -0.912 2.059 -1.045 1.00 0.00 C ATOM 425 CE2 PHE A 157 0.839 2.476 0.581 1.00 0.00 C ATOM 426 CZ PHE A 157 -0.101 2.956 -0.338 1.00 0.00 C ATOM 0 H PHE A 157 0.039 -1.824 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 157 2.289 -1.475 -0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 157 -0.678 -1.766 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 157 0.619 -1.464 1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 157 -1.414 -0.007 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 157 1.689 0.727 1.503 1.00 0.00 H new ATOM 0 HE1 PHE A 157 -1.634 2.430 -1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 157 1.466 3.167 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 157 -0.201 4.019 -0.502 1.00 0.00 H new ATOM 436 N HIS A 158 2.048 -3.926 0.260 1.00 0.00 N ATOM 437 CA HIS A 158 2.092 -5.405 0.381 1.00 0.00 C ATOM 438 C HIS A 158 0.686 -5.972 0.482 1.00 0.00 C ATOM 439 O HIS A 158 -0.232 -5.303 0.888 1.00 0.00 O ATOM 440 CB HIS A 158 2.869 -5.770 1.635 1.00 0.00 C ATOM 441 CG HIS A 158 4.328 -5.816 1.286 1.00 0.00 C ATOM 442 ND1 HIS A 158 5.230 -4.947 1.857 1.00 0.00 N ATOM 443 CD2 HIS A 158 5.038 -6.557 0.375 1.00 0.00 C ATOM 444 CE1 HIS A 158 6.422 -5.165 1.282 1.00 0.00 C ATOM 445 NE2 HIS A 158 6.366 -6.142 0.373 1.00 0.00 N ATOM 0 H HIS A 158 2.667 -3.421 0.894 1.00 0.00 H new ATOM 0 HA HIS A 158 2.576 -5.822 -0.502 1.00 0.00 H new ATOM 0 HB2 HIS A 158 2.689 -5.036 2.421 1.00 0.00 H new ATOM 0 HB3 HIS A 158 2.539 -6.735 2.019 1.00 0.00 H new ATOM 0 HD2 HIS A 158 4.629 -7.341 -0.245 1.00 0.00 H new ATOM 0 HE1 HIS A 158 7.320 -4.616 1.525 1.00 0.00 H new ATOM 0 HE2 HIS A 158 7.130 -6.505 -0.198 1.00 0.00 H new ATOM 452 N ALA A 159 0.517 -7.214 0.144 1.00 0.00 N ATOM 453 CA ALA A 159 -0.829 -7.820 0.266 1.00 0.00 C ATOM 454 C ALA A 159 -1.049 -8.099 1.751 1.00 0.00 C ATOM 455 O ALA A 159 -2.160 -8.129 2.241 1.00 0.00 O ATOM 456 CB ALA A 159 -0.884 -9.130 -0.525 1.00 0.00 C ATOM 0 H ALA A 159 1.248 -7.832 -0.209 1.00 0.00 H new ATOM 0 HA ALA A 159 -1.598 -7.156 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 159 -1.877 -9.570 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 159 -0.674 -8.930 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 159 -0.141 -9.824 -0.132 1.00 0.00 H new ATOM 462 N GLU A 160 0.031 -8.290 2.468 1.00 0.00 N ATOM 463 CA GLU A 160 -0.059 -8.556 3.929 1.00 0.00 C ATOM 464 C GLU A 160 -0.170 -7.229 4.686 1.00 0.00 C ATOM 465 O GLU A 160 -1.073 -7.036 5.472 1.00 0.00 O ATOM 466 CB GLU A 160 1.196 -9.300 4.390 1.00 0.00 C ATOM 467 CG GLU A 160 1.507 -10.434 3.411 1.00 0.00 C ATOM 468 CD GLU A 160 0.269 -11.318 3.241 1.00 0.00 C ATOM 469 OE1 GLU A 160 -0.145 -11.918 4.219 1.00 0.00 O ATOM 470 OE2 GLU A 160 -0.243 -11.379 2.135 1.00 0.00 O ATOM 0 H GLU A 160 0.980 -8.272 2.095 1.00 0.00 H new ATOM 0 HA GLU A 160 -0.940 -9.165 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 160 2.040 -8.612 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 160 1.046 -9.702 5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 160 1.809 -10.024 2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 160 2.343 -11.028 3.780 1.00 0.00 H new ATOM 477 N CYS A 161 0.735 -6.306 4.461 1.00 0.00 N ATOM 478 CA CYS A 161 0.650 -5.006 5.182 1.00 0.00 C ATOM 479 C CYS A 161 -0.631 -4.295 4.764 1.00 0.00 C ATOM 480 O CYS A 161 -1.316 -3.703 5.569 1.00 0.00 O ATOM 481 CB CYS A 161 1.844 -4.113 4.839 1.00 0.00 C ATOM 482 SG CYS A 161 3.369 -5.056 4.899 1.00 0.00 S ATOM 0 H CYS A 161 1.519 -6.399 3.815 1.00 0.00 H new ATOM 0 HA CYS A 161 0.654 -5.199 6.255 1.00 0.00 H new ATOM 0 HB2 CYS A 161 1.712 -3.685 3.845 1.00 0.00 H new ATOM 0 HB3 CYS A 161 1.896 -3.280 5.540 1.00 0.00 H new ATOM 487 N VAL A 162 -0.951 -4.343 3.503 1.00 0.00 N ATOM 488 CA VAL A 162 -2.192 -3.663 3.029 1.00 0.00 C ATOM 489 C VAL A 162 -3.418 -4.289 3.709 1.00 0.00 C ATOM 490 O VAL A 162 -4.422 -3.637 3.915 1.00 0.00 O ATOM 491 CB VAL A 162 -2.317 -3.805 1.507 1.00 0.00 C ATOM 492 CG1 VAL A 162 -2.773 -5.224 1.155 1.00 0.00 C ATOM 493 CG2 VAL A 162 -3.350 -2.801 0.989 1.00 0.00 C ATOM 0 H VAL A 162 -0.412 -4.821 2.781 1.00 0.00 H new ATOM 0 HA VAL A 162 -2.138 -2.605 3.286 1.00 0.00 H new ATOM 0 HB VAL A 162 -1.348 -3.611 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 162 -2.860 -5.320 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 162 -2.043 -5.943 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 162 -3.741 -5.420 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 162 -3.442 -2.899 -0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 162 -4.315 -2.999 1.454 1.00 0.00 H new ATOM 0 HG23 VAL A 162 -3.029 -1.789 1.236 1.00 0.00 H new ATOM 503 N ASP A 163 -3.345 -5.546 4.057 1.00 0.00 N ATOM 504 CA ASP A 163 -4.508 -6.207 4.722 1.00 0.00 C ATOM 505 C ASP A 163 -4.577 -5.771 6.186 1.00 0.00 C ATOM 506 O ASP A 163 -5.616 -5.379 6.679 1.00 0.00 O ATOM 507 CB ASP A 163 -4.342 -7.727 4.647 1.00 0.00 C ATOM 508 CG ASP A 163 -4.862 -8.231 3.300 1.00 0.00 C ATOM 509 OD1 ASP A 163 -5.641 -7.523 2.685 1.00 0.00 O ATOM 510 OD2 ASP A 163 -4.472 -9.318 2.906 1.00 0.00 O ATOM 0 H ASP A 163 -2.532 -6.144 3.910 1.00 0.00 H new ATOM 0 HA ASP A 163 -5.428 -5.917 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -3.292 -7.995 4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.888 -8.204 5.461 1.00 0.00 H new ATOM 515 N MET A 164 -3.477 -5.826 6.885 1.00 0.00 N ATOM 516 CA MET A 164 -3.480 -5.402 8.311 1.00 0.00 C ATOM 517 C MET A 164 -3.773 -3.904 8.371 1.00 0.00 C ATOM 518 O MET A 164 -4.242 -3.387 9.365 1.00 0.00 O ATOM 519 CB MET A 164 -2.111 -5.685 8.935 1.00 0.00 C ATOM 520 CG MET A 164 -1.744 -7.153 8.717 1.00 0.00 C ATOM 521 SD MET A 164 -0.531 -7.664 9.960 1.00 0.00 S ATOM 522 CE MET A 164 0.512 -6.187 9.882 1.00 0.00 C ATOM 0 H MET A 164 -2.576 -6.147 6.529 1.00 0.00 H new ATOM 0 HA MET A 164 -4.241 -5.954 8.863 1.00 0.00 H new ATOM 0 HB2 MET A 164 -1.355 -5.040 8.487 1.00 0.00 H new ATOM 0 HB3 MET A 164 -2.132 -5.459 10.001 1.00 0.00 H new ATOM 0 HG2 MET A 164 -2.636 -7.776 8.786 1.00 0.00 H new ATOM 0 HG3 MET A 164 -1.335 -7.292 7.716 1.00 0.00 H new ATOM 0 HE1 MET A 164 1.492 -6.411 10.305 1.00 0.00 H new ATOM 0 HE2 MET A 164 0.627 -5.877 8.843 1.00 0.00 H new ATOM 0 HE3 MET A 164 0.046 -5.382 10.451 1.00 0.00 H new ATOM 532 N TRP A 165 -3.500 -3.206 7.302 1.00 0.00 N ATOM 533 CA TRP A 165 -3.760 -1.743 7.275 1.00 0.00 C ATOM 534 C TRP A 165 -5.246 -1.504 7.067 1.00 0.00 C ATOM 535 O TRP A 165 -5.764 -0.447 7.369 1.00 0.00 O ATOM 536 CB TRP A 165 -2.999 -1.104 6.117 1.00 0.00 C ATOM 537 CG TRP A 165 -3.390 0.335 6.001 1.00 0.00 C ATOM 538 CD1 TRP A 165 -4.382 0.822 5.211 1.00 0.00 C ATOM 539 CD2 TRP A 165 -2.816 1.484 6.689 1.00 0.00 C ATOM 540 NE1 TRP A 165 -4.436 2.199 5.364 1.00 0.00 N ATOM 541 CE2 TRP A 165 -3.496 2.650 6.265 1.00 0.00 C ATOM 542 CE3 TRP A 165 -1.777 1.626 7.627 1.00 0.00 C ATOM 543 CZ2 TRP A 165 -3.157 3.910 6.753 1.00 0.00 C ATOM 544 CZ3 TRP A 165 -1.436 2.895 8.123 1.00 0.00 C ATOM 545 CH2 TRP A 165 -2.125 4.035 7.685 1.00 0.00 C ATOM 0 H TRP A 165 -3.106 -3.591 6.443 1.00 0.00 H new ATOM 0 HA TRP A 165 -3.433 -1.304 8.218 1.00 0.00 H new ATOM 0 HB2 TRP A 165 -1.925 -1.188 6.282 1.00 0.00 H new ATOM 0 HB3 TRP A 165 -3.221 -1.629 5.188 1.00 0.00 H new ATOM 0 HD1 TRP A 165 -5.022 0.234 4.570 1.00 0.00 H new ATOM 0 HE1 TRP A 165 -5.092 2.804 4.870 1.00 0.00 H new ATOM 0 HE3 TRP A 165 -1.238 0.754 7.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 165 -3.690 4.786 6.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 165 -0.639 2.993 8.845 1.00 0.00 H new ATOM 0 HH2 TRP A 165 -1.858 5.009 8.068 1.00 0.00 H new ATOM 556 N LEU A 166 -5.944 -2.476 6.552 1.00 0.00 N ATOM 557 CA LEU A 166 -7.388 -2.285 6.333 1.00 0.00 C ATOM 558 C LEU A 166 -8.075 -2.347 7.686 1.00 0.00 C ATOM 559 O LEU A 166 -8.458 -1.336 8.224 1.00 0.00 O ATOM 560 CB LEU A 166 -7.913 -3.402 5.428 1.00 0.00 C ATOM 561 CG LEU A 166 -7.434 -3.163 3.995 1.00 0.00 C ATOM 562 CD1 LEU A 166 -7.499 -4.475 3.210 1.00 0.00 C ATOM 563 CD2 LEU A 166 -8.336 -2.125 3.325 1.00 0.00 C ATOM 0 H LEU A 166 -5.573 -3.386 6.277 1.00 0.00 H new ATOM 0 HA LEU A 166 -7.585 -1.325 5.855 1.00 0.00 H new ATOM 0 HB2 LEU A 166 -7.560 -4.370 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 166 -9.002 -3.429 5.459 1.00 0.00 H new ATOM 0 HG LEU A 166 -6.407 -2.799 4.010 1.00 0.00 H new ATOM 0 HD11 LEU A 166 -7.158 -4.305 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 166 -6.859 -5.217 3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 166 -8.526 -4.839 3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 166 -7.996 -1.953 2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 166 -9.363 -2.491 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 166 -8.293 -1.190 3.884 1.00 0.00 H new ATOM 575 N GLY A 167 -8.175 -3.528 8.243 1.00 0.00 N ATOM 576 CA GLY A 167 -8.810 -3.718 9.594 1.00 0.00 C ATOM 577 C GLY A 167 -9.767 -2.563 9.927 1.00 0.00 C ATOM 578 O GLY A 167 -9.822 -2.115 11.054 1.00 0.00 O ATOM 0 H GLY A 167 -7.838 -4.389 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 167 -9.355 -4.662 9.613 1.00 0.00 H new ATOM 0 HA3 GLY A 167 -8.034 -3.782 10.357 1.00 0.00 H new ATOM 582 N SER A 168 -10.498 -2.084 8.944 1.00 0.00 N ATOM 583 CA SER A 168 -11.453 -0.942 9.141 1.00 0.00 C ATOM 584 C SER A 168 -11.359 -0.015 7.924 1.00 0.00 C ATOM 585 O SER A 168 -12.314 0.173 7.199 1.00 0.00 O ATOM 586 CB SER A 168 -11.104 -0.138 10.396 1.00 0.00 C ATOM 587 OG SER A 168 -11.670 -0.775 11.535 1.00 0.00 O ATOM 0 H SER A 168 -10.471 -2.446 7.991 1.00 0.00 H new ATOM 0 HA SER A 168 -12.460 -1.344 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 168 -10.022 -0.065 10.506 1.00 0.00 H new ATOM 0 HB3 SER A 168 -11.485 0.880 10.307 1.00 0.00 H new ATOM 0 HG SER A 168 -11.203 -1.620 11.703 1.00 0.00 H new ATOM 593 N HIS A 169 -10.207 0.569 7.697 1.00 0.00 N ATOM 594 CA HIS A 169 -10.048 1.482 6.531 1.00 0.00 C ATOM 595 C HIS A 169 -10.034 0.665 5.238 1.00 0.00 C ATOM 596 O HIS A 169 -9.100 -0.060 4.957 1.00 0.00 O ATOM 597 CB HIS A 169 -8.718 2.248 6.651 1.00 0.00 C ATOM 598 CG HIS A 169 -8.761 3.137 7.864 1.00 0.00 C ATOM 599 ND1 HIS A 169 -7.609 3.580 8.495 1.00 0.00 N ATOM 600 CD2 HIS A 169 -9.807 3.675 8.571 1.00 0.00 C ATOM 601 CE1 HIS A 169 -7.987 4.347 9.534 1.00 0.00 C ATOM 602 NE2 HIS A 169 -9.316 4.439 9.626 1.00 0.00 N ATOM 0 H HIS A 169 -9.372 0.450 8.271 1.00 0.00 H new ATOM 0 HA HIS A 169 -10.879 2.187 6.514 1.00 0.00 H new ATOM 0 HB2 HIS A 169 -7.887 1.547 6.730 1.00 0.00 H new ATOM 0 HB3 HIS A 169 -8.547 2.845 5.755 1.00 0.00 H new ATOM 0 HD2 HIS A 169 -10.852 3.528 8.343 1.00 0.00 H new ATOM 0 HE1 HIS A 169 -7.299 4.830 10.212 1.00 0.00 H new ATOM 0 HE2 HIS A 169 -9.855 4.957 10.320 1.00 0.00 H new ATOM 610 N SER A 170 -11.055 0.798 4.438 1.00 0.00 N ATOM 611 CA SER A 170 -11.098 0.056 3.147 1.00 0.00 C ATOM 612 C SER A 170 -10.566 0.982 2.063 1.00 0.00 C ATOM 613 O SER A 170 -11.037 0.993 0.944 1.00 0.00 O ATOM 614 CB SER A 170 -12.540 -0.340 2.827 1.00 0.00 C ATOM 615 OG SER A 170 -13.415 0.277 3.761 1.00 0.00 O ATOM 0 H SER A 170 -11.864 1.391 4.623 1.00 0.00 H new ATOM 0 HA SER A 170 -10.495 -0.850 3.206 1.00 0.00 H new ATOM 0 HB2 SER A 170 -12.797 -0.033 1.813 1.00 0.00 H new ATOM 0 HB3 SER A 170 -12.650 -1.424 2.870 1.00 0.00 H new ATOM 0 HG SER A 170 -14.340 0.026 3.557 1.00 0.00 H new ATOM 621 N THR A 171 -9.593 1.776 2.406 1.00 0.00 N ATOM 622 CA THR A 171 -9.024 2.730 1.425 1.00 0.00 C ATOM 623 C THR A 171 -7.511 2.536 1.319 1.00 0.00 C ATOM 624 O THR A 171 -6.922 1.691 1.962 1.00 0.00 O ATOM 625 CB THR A 171 -9.311 4.162 1.881 1.00 0.00 C ATOM 626 OG1 THR A 171 -8.570 4.436 3.061 1.00 0.00 O ATOM 627 CG2 THR A 171 -10.805 4.326 2.165 1.00 0.00 C ATOM 0 H THR A 171 -9.166 1.803 3.332 1.00 0.00 H new ATOM 0 HA THR A 171 -9.481 2.549 0.452 1.00 0.00 H new ATOM 0 HB THR A 171 -9.018 4.858 1.095 1.00 0.00 H new ATOM 0 HG1 THR A 171 -8.750 5.353 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 171 -11.004 5.347 2.489 1.00 0.00 H new ATOM 0 HG22 THR A 171 -11.373 4.116 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 171 -11.105 3.631 2.950 1.00 0.00 H new ATOM 635 N CYS A 172 -6.895 3.337 0.506 1.00 0.00 N ATOM 636 CA CYS A 172 -5.422 3.271 0.306 1.00 0.00 C ATOM 637 C CYS A 172 -4.735 3.818 1.568 1.00 0.00 C ATOM 638 O CYS A 172 -5.170 4.812 2.114 1.00 0.00 O ATOM 639 CB CYS A 172 -5.132 4.164 -0.898 1.00 0.00 C ATOM 640 SG CYS A 172 -3.397 4.133 -1.371 1.00 0.00 S ATOM 0 H CYS A 172 -7.362 4.057 -0.046 1.00 0.00 H new ATOM 0 HA CYS A 172 -5.059 2.258 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 172 -5.742 3.841 -1.742 1.00 0.00 H new ATOM 0 HB3 CYS A 172 -5.425 5.188 -0.666 1.00 0.00 H new ATOM 645 N PRO A 173 -3.702 3.142 2.021 1.00 0.00 N ATOM 646 CA PRO A 173 -2.979 3.544 3.245 1.00 0.00 C ATOM 647 C PRO A 173 -2.095 4.764 3.049 1.00 0.00 C ATOM 648 O PRO A 173 -1.709 5.400 4.009 1.00 0.00 O ATOM 649 CB PRO A 173 -2.108 2.335 3.573 1.00 0.00 C ATOM 650 CG PRO A 173 -1.959 1.535 2.264 1.00 0.00 C ATOM 651 CD PRO A 173 -3.147 1.932 1.369 1.00 0.00 C ATOM 0 HA PRO A 173 -3.681 3.821 4.031 1.00 0.00 H new ATOM 0 HB2 PRO A 173 -1.134 2.649 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 173 -2.568 1.725 4.350 1.00 0.00 H new ATOM 0 HG2 PRO A 173 -1.012 1.764 1.775 1.00 0.00 H new ATOM 0 HG3 PRO A 173 -1.964 0.463 2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 173 -2.825 2.141 0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 173 -3.888 1.134 1.313 1.00 0.00 H new ATOM 659 N LEU A 174 -1.723 5.099 1.853 1.00 0.00 N ATOM 660 CA LEU A 174 -0.827 6.267 1.732 1.00 0.00 C ATOM 661 C LEU A 174 -1.608 7.535 1.386 1.00 0.00 C ATOM 662 O LEU A 174 -1.340 8.593 1.921 1.00 0.00 O ATOM 663 CB LEU A 174 0.231 6.003 0.659 1.00 0.00 C ATOM 664 CG LEU A 174 1.215 7.173 0.616 1.00 0.00 C ATOM 665 CD1 LEU A 174 2.136 7.109 1.835 1.00 0.00 C ATOM 666 CD2 LEU A 174 2.053 7.087 -0.661 1.00 0.00 C ATOM 0 H LEU A 174 -1.989 4.634 0.985 1.00 0.00 H new ATOM 0 HA LEU A 174 -0.342 6.420 2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 174 0.761 5.076 0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -0.245 5.878 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 174 0.663 8.113 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 174 2.838 7.943 1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 174 1.539 7.169 2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 174 2.688 6.169 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 174 2.755 7.921 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 174 2.605 6.147 -0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 174 1.397 7.132 -1.530 1.00 0.00 H new ATOM 678 N CYS A 175 -2.578 7.457 0.520 1.00 0.00 N ATOM 679 CA CYS A 175 -3.350 8.684 0.198 1.00 0.00 C ATOM 680 C CYS A 175 -4.738 8.574 0.843 1.00 0.00 C ATOM 681 O CYS A 175 -5.197 9.507 1.466 1.00 0.00 O ATOM 682 CB CYS A 175 -3.429 8.875 -1.318 1.00 0.00 C ATOM 683 SG CYS A 175 -4.503 7.629 -2.046 1.00 0.00 S ATOM 0 H CYS A 175 -2.865 6.611 0.029 1.00 0.00 H new ATOM 0 HA CYS A 175 -2.852 9.566 0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 175 -3.808 9.871 -1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 175 -2.432 8.805 -1.753 1.00 0.00 H new ATOM 688 N ARG A 176 -5.377 7.423 0.722 1.00 0.00 N ATOM 689 CA ARG A 176 -6.720 7.178 1.354 1.00 0.00 C ATOM 690 C ARG A 176 -7.844 7.325 0.336 1.00 0.00 C ATOM 691 O ARG A 176 -8.959 7.661 0.681 1.00 0.00 O ATOM 692 CB ARG A 176 -6.975 8.118 2.540 1.00 0.00 C ATOM 693 CG ARG A 176 -5.853 7.957 3.572 1.00 0.00 C ATOM 694 CD ARG A 176 -6.178 8.789 4.813 1.00 0.00 C ATOM 695 NE ARG A 176 -7.439 8.289 5.430 1.00 0.00 N ATOM 696 CZ ARG A 176 -7.848 8.781 6.568 1.00 0.00 C ATOM 697 NH1 ARG A 176 -7.126 8.624 7.643 1.00 0.00 N ATOM 698 NH2 ARG A 176 -8.978 9.429 6.630 1.00 0.00 N ATOM 0 H ARG A 176 -5.012 6.627 0.199 1.00 0.00 H new ATOM 0 HA ARG A 176 -6.707 6.153 1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 176 -7.021 9.151 2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 176 -7.938 7.891 2.997 1.00 0.00 H new ATOM 0 HG2 ARG A 176 -5.742 6.907 3.844 1.00 0.00 H new ATOM 0 HG3 ARG A 176 -4.903 8.278 3.145 1.00 0.00 H new ATOM 0 HD2 ARG A 176 -5.360 8.726 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 176 -6.285 9.839 4.542 1.00 0.00 H new ATOM 0 HE ARG A 176 -7.982 7.563 4.963 1.00 0.00 H new ATOM 0 HH11 ARG A 176 -6.242 8.117 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 176 -7.445 9.008 8.532 1.00 0.00 H new ATOM 0 HH21 ARG A 176 -9.542 9.551 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 176 -9.297 9.813 7.519 1.00 0.00 H new ATOM 712 N LEU A 177 -7.585 7.040 -0.908 1.00 0.00 N ATOM 713 CA LEU A 177 -8.669 7.127 -1.910 1.00 0.00 C ATOM 714 C LEU A 177 -9.537 5.872 -1.762 1.00 0.00 C ATOM 715 O LEU A 177 -9.252 4.843 -2.340 1.00 0.00 O ATOM 716 CB LEU A 177 -8.066 7.176 -3.317 1.00 0.00 C ATOM 717 CG LEU A 177 -7.185 8.413 -3.472 1.00 0.00 C ATOM 718 CD1 LEU A 177 -6.087 8.129 -4.500 1.00 0.00 C ATOM 719 CD2 LEU A 177 -8.047 9.573 -3.968 1.00 0.00 C ATOM 0 H LEU A 177 -6.675 6.753 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 177 -9.265 8.026 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 177 -7.478 6.277 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 177 -8.862 7.193 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 177 -6.731 8.666 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU A 177 -5.457 9.011 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 177 -5.480 7.290 -4.161 1.00 0.00 H new ATOM 0 HD13 LEU A 177 -6.542 7.884 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 177 -7.428 10.463 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 177 -8.489 9.312 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 177 -8.839 9.772 -3.246 1.00 0.00 H new ATOM 731 N THR A 178 -10.578 5.933 -0.974 1.00 0.00 N ATOM 732 CA THR A 178 -11.433 4.723 -0.791 1.00 0.00 C ATOM 733 C THR A 178 -11.696 4.071 -2.138 1.00 0.00 C ATOM 734 O THR A 178 -11.806 4.731 -3.145 1.00 0.00 O ATOM 735 CB THR A 178 -12.764 5.096 -0.146 1.00 0.00 C ATOM 736 OG1 THR A 178 -13.778 4.223 -0.624 1.00 0.00 O ATOM 737 CG2 THR A 178 -13.122 6.545 -0.482 1.00 0.00 C ATOM 0 H THR A 178 -10.871 6.760 -0.454 1.00 0.00 H new ATOM 0 HA THR A 178 -10.907 4.026 -0.139 1.00 0.00 H new ATOM 0 HB THR A 178 -12.681 4.999 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 178 -14.635 4.459 -0.210 1.00 0.00 H new ATOM 0 HG21 THR A 178 -14.074 6.802 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 178 -12.344 7.209 -0.106 1.00 0.00 H new ATOM 0 HG23 THR A 178 -13.204 6.658 -1.563 1.00 0.00 H new ATOM 745 N VAL A 179 -11.797 2.776 -2.160 1.00 0.00 N ATOM 746 CA VAL A 179 -12.047 2.076 -3.451 1.00 0.00 C ATOM 747 C VAL A 179 -13.423 1.406 -3.414 1.00 0.00 C ATOM 748 O VAL A 179 -13.965 1.026 -4.432 1.00 0.00 O ATOM 749 CB VAL A 179 -10.963 1.016 -3.681 1.00 0.00 C ATOM 750 CG1 VAL A 179 -10.708 0.866 -5.181 1.00 0.00 C ATOM 751 CG2 VAL A 179 -9.668 1.435 -2.978 1.00 0.00 C ATOM 0 H VAL A 179 -11.718 2.170 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 179 -12.021 2.800 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 179 -11.299 0.063 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 179 -9.938 0.113 -5.346 1.00 0.00 H new ATOM 0 HG12 VAL A 179 -11.628 0.558 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 179 -10.376 1.820 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 179 -8.902 0.678 -3.145 1.00 0.00 H new ATOM 0 HG22 VAL A 179 -9.328 2.390 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 179 -9.851 1.536 -1.908 1.00 0.00 H new ATOM 761 N VAL A 180 -13.993 1.262 -2.248 1.00 0.00 N ATOM 762 CA VAL A 180 -15.333 0.621 -2.152 1.00 0.00 C ATOM 763 C VAL A 180 -16.376 1.674 -1.771 1.00 0.00 C ATOM 764 O VAL A 180 -16.398 2.166 -0.660 1.00 0.00 O ATOM 765 CB VAL A 180 -15.303 -0.475 -1.084 1.00 0.00 C ATOM 766 CG1 VAL A 180 -14.909 -1.805 -1.727 1.00 0.00 C ATOM 767 CG2 VAL A 180 -14.285 -0.114 0.001 1.00 0.00 C ATOM 0 H VAL A 180 -13.589 1.560 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 180 -15.593 0.181 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 180 -16.292 -0.565 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -14.888 -2.585 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -15.636 -2.067 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -13.921 -1.712 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -14.268 -0.897 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -13.295 -0.019 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -14.566 0.832 0.464 1.00 0.00 H new ATOM 777 N VAL A 181 -17.239 2.024 -2.684 1.00 0.00 N ATOM 778 CA VAL A 181 -18.280 3.045 -2.374 1.00 0.00 C ATOM 779 C VAL A 181 -19.572 2.343 -1.953 1.00 0.00 C ATOM 780 O VAL A 181 -20.318 2.929 -1.187 1.00 0.00 O ATOM 781 CB VAL A 181 -18.544 3.896 -3.617 1.00 0.00 C ATOM 782 CG1 VAL A 181 -19.117 3.014 -4.727 1.00 0.00 C ATOM 783 CG2 VAL A 181 -19.547 5.000 -3.275 1.00 0.00 C ATOM 784 OXT VAL A 181 -19.793 1.231 -2.404 1.00 0.00 O ATOM 0 H VAL A 181 -17.269 1.647 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 181 -17.933 3.684 -1.562 1.00 0.00 H new ATOM 0 HB VAL A 181 -17.610 4.345 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -19.305 3.620 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 181 -18.404 2.227 -4.971 1.00 0.00 H new ATOM 0 HG13 VAL A 181 -20.051 2.565 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -19.736 5.607 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -20.481 4.551 -2.937 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -19.140 5.629 -2.484 1.00 0.00 H new TER 794 VAL A 181 HETATM 795 ZN ZN A 182 4.900 -3.903 3.625 1.00 0.00 ZN HETATM 796 ZN ZN A 183 -3.205 5.891 -2.832 1.00 0.00 ZN