USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 456 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: X 118 HIS HD1 : X 118 HIS ND1 : X 2 ZNZN :(H bumps) USER MOD NoAdj-H: X 154 HIS HD1 : X 154 HIS ND1 : X 1 ZNZN :(H bumps) USER MOD Single : X 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 148 ASN : amide:sc= -3.14! C(o=-3.1!,f=-5.9!) USER MOD Single : X 150 LYS NZ :NH3+ 171:sc= 1.87 (180deg=1.75) USER MOD Single : X 152 THR OG1 : rot 130:sc= 0 USER MOD Single : X 153 CYS SG : rot 24:sc= -0.773 USER MOD Single : X 155 SER OG : rot 87:sc= 0.448 USER MOD Single : X 159 SER OG : rot 180:sc= 0 USER MOD Single : X 162 GLN : amide:sc= 0.576 K(o=0.58,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO X 108 23.910 -19.591 -4.064 1.00 0.00 N ATOM 2 CA PRO X 108 24.956 -20.453 -3.454 1.00 0.00 C ATOM 3 C PRO X 108 24.659 -20.844 -2.002 1.00 0.00 C ATOM 4 O PRO X 108 24.299 -21.983 -1.746 1.00 0.00 O ATOM 5 CB PRO X 108 26.264 -19.692 -3.618 1.00 0.00 C ATOM 6 CG PRO X 108 26.025 -19.008 -4.965 1.00 0.00 C ATOM 7 CD PRO X 108 24.536 -18.594 -4.961 1.00 0.00 C ATOM 0 HA PRO X 108 25.001 -21.419 -3.957 1.00 0.00 H new ATOM 0 HB2 PRO X 108 26.430 -18.976 -2.813 1.00 0.00 H new ATOM 0 HB3 PRO X 108 27.129 -20.355 -3.638 1.00 0.00 H new ATOM 0 HG2 PRO X 108 26.673 -18.140 -5.084 1.00 0.00 H new ATOM 0 HG3 PRO X 108 26.242 -19.684 -5.792 1.00 0.00 H new ATOM 0 HD2 PRO X 108 24.402 -17.578 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO X 108 24.106 -18.627 -5.962 1.00 0.00 H new ATOM 15 N ARG X 109 24.811 -19.916 -1.061 1.00 0.00 N ATOM 16 CA ARG X 109 24.530 -20.191 0.352 1.00 0.00 C ATOM 17 C ARG X 109 23.081 -20.640 0.480 1.00 0.00 C ATOM 18 O ARG X 109 22.791 -21.705 1.018 1.00 0.00 O ATOM 19 CB ARG X 109 24.796 -18.942 1.207 1.00 0.00 C ATOM 20 CG ARG X 109 24.337 -19.085 2.655 1.00 0.00 C ATOM 21 CD ARG X 109 25.176 -20.120 3.393 1.00 0.00 C ATOM 22 NE ARG X 109 24.737 -20.277 4.780 1.00 0.00 N ATOM 23 CZ ARG X 109 23.751 -21.073 5.160 1.00 0.00 C ATOM 24 NH1 ARG X 109 23.097 -21.794 4.285 1.00 0.00 N ATOM 25 NH2 ARG X 109 23.422 -21.147 6.421 1.00 0.00 N ATOM 0 H ARG X 109 25.127 -18.965 -1.248 1.00 0.00 H new ATOM 0 HA ARG X 109 25.188 -20.981 0.714 1.00 0.00 H new ATOM 0 HB2 ARG X 109 25.864 -18.723 1.193 1.00 0.00 H new ATOM 0 HB3 ARG X 109 24.289 -18.089 0.756 1.00 0.00 H new ATOM 0 HG2 ARG X 109 24.412 -18.123 3.161 1.00 0.00 H new ATOM 0 HG3 ARG X 109 23.287 -19.377 2.680 1.00 0.00 H new ATOM 0 HD2 ARG X 109 25.108 -21.078 2.878 1.00 0.00 H new ATOM 0 HD3 ARG X 109 26.224 -19.821 3.374 1.00 0.00 H new ATOM 0 HE ARG X 109 25.221 -19.739 5.499 1.00 0.00 H new ATOM 0 HH11 ARG X 109 23.346 -21.746 3.297 1.00 0.00 H new ATOM 0 HH12 ARG X 109 22.339 -22.404 4.591 1.00 0.00 H new ATOM 0 HH21 ARG X 109 23.925 -20.591 7.113 1.00 0.00 H new ATOM 0 HH22 ARG X 109 22.662 -21.761 6.715 1.00 0.00 H new ATOM 39 N VAL X 110 22.178 -19.801 0.002 1.00 0.00 N ATOM 40 CA VAL X 110 20.745 -20.095 0.038 1.00 0.00 C ATOM 41 C VAL X 110 20.390 -20.570 -1.372 1.00 0.00 C ATOM 42 O VAL X 110 20.995 -20.107 -2.335 1.00 0.00 O ATOM 43 CB VAL X 110 19.916 -18.826 0.402 1.00 0.00 C ATOM 44 CG1 VAL X 110 18.440 -19.163 0.547 1.00 0.00 C ATOM 45 CG2 VAL X 110 20.422 -18.230 1.706 1.00 0.00 C ATOM 0 H VAL X 110 22.409 -18.902 -0.420 1.00 0.00 H new ATOM 0 HA VAL X 110 20.516 -20.844 0.796 1.00 0.00 H new ATOM 0 HB VAL X 110 20.035 -18.104 -0.406 1.00 0.00 H new ATOM 0 HG11 VAL X 110 17.884 -18.261 0.801 1.00 0.00 H new ATOM 0 HG12 VAL X 110 18.065 -19.568 -0.393 1.00 0.00 H new ATOM 0 HG13 VAL X 110 18.312 -19.903 1.337 1.00 0.00 H new ATOM 0 HG21 VAL X 110 19.837 -17.344 1.952 1.00 0.00 H new ATOM 0 HG22 VAL X 110 20.322 -18.965 2.505 1.00 0.00 H new ATOM 0 HG23 VAL X 110 21.471 -17.954 1.597 1.00 0.00 H new ATOM 55 N LEU X 111 19.440 -21.486 -1.513 1.00 0.00 N ATOM 56 CA LEU X 111 19.047 -21.971 -2.843 1.00 0.00 C ATOM 57 C LEU X 111 18.647 -20.792 -3.749 1.00 0.00 C ATOM 58 O LEU X 111 19.268 -20.533 -4.774 1.00 0.00 O ATOM 59 CB LEU X 111 17.885 -22.968 -2.713 1.00 0.00 C ATOM 60 CG LEU X 111 17.191 -23.389 -4.019 1.00 0.00 C ATOM 61 CD1 LEU X 111 18.160 -24.082 -4.953 1.00 0.00 C ATOM 62 CD2 LEU X 111 16.059 -24.327 -3.686 1.00 0.00 C ATOM 0 H LEU X 111 18.929 -21.908 -0.737 1.00 0.00 H new ATOM 0 HA LEU X 111 19.897 -22.479 -3.299 1.00 0.00 H new ATOM 0 HB2 LEU X 111 18.260 -23.866 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU X 111 17.135 -22.533 -2.053 1.00 0.00 H new ATOM 0 HG LEU X 111 16.814 -22.497 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU X 111 17.642 -24.368 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU X 111 18.978 -23.404 -5.196 1.00 0.00 H new ATOM 0 HD13 LEU X 111 18.559 -24.973 -4.468 1.00 0.00 H new ATOM 0 HD21 LEU X 111 15.558 -24.633 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU X 111 16.453 -25.207 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU X 111 15.346 -23.820 -3.036 1.00 0.00 H new ATOM 74 N ALA X 112 17.614 -20.069 -3.339 1.00 0.00 N ATOM 75 CA ALA X 112 17.118 -18.908 -4.081 1.00 0.00 C ATOM 76 C ALA X 112 17.793 -17.612 -3.609 1.00 0.00 C ATOM 77 O ALA X 112 17.144 -16.593 -3.455 1.00 0.00 O ATOM 78 CB ALA X 112 15.605 -18.810 -3.918 1.00 0.00 C ATOM 0 H ALA X 112 17.094 -20.267 -2.484 1.00 0.00 H new ATOM 0 HA ALA X 112 17.363 -19.040 -5.135 1.00 0.00 H new ATOM 0 HB1 ALA X 112 15.235 -17.946 -4.470 1.00 0.00 H new ATOM 0 HB2 ALA X 112 15.138 -19.715 -4.305 1.00 0.00 H new ATOM 0 HB3 ALA X 112 15.359 -18.698 -2.862 1.00 0.00 H new ATOM 84 N GLU X 113 19.090 -17.670 -3.355 1.00 0.00 N ATOM 85 CA GLU X 113 19.856 -16.508 -2.878 1.00 0.00 C ATOM 86 C GLU X 113 19.749 -15.270 -3.772 1.00 0.00 C ATOM 87 O GLU X 113 19.713 -14.148 -3.275 1.00 0.00 O ATOM 88 CB GLU X 113 21.320 -16.916 -2.701 1.00 0.00 C ATOM 89 CG GLU X 113 22.271 -15.813 -2.262 1.00 0.00 C ATOM 90 CD GLU X 113 23.669 -16.362 -2.038 1.00 0.00 C ATOM 91 OE1 GLU X 113 23.788 -17.606 -2.095 1.00 0.00 O ATOM 92 OE2 GLU X 113 24.573 -15.591 -1.697 1.00 0.00 O ATOM 0 H GLU X 113 19.649 -18.516 -3.470 1.00 0.00 H new ATOM 0 HA GLU X 113 19.416 -16.210 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU X 113 21.366 -17.721 -1.968 1.00 0.00 H new ATOM 0 HB3 GLU X 113 21.680 -17.324 -3.646 1.00 0.00 H new ATOM 0 HG2 GLU X 113 22.300 -15.030 -3.019 1.00 0.00 H new ATOM 0 HG3 GLU X 113 21.904 -15.355 -1.344 1.00 0.00 H new ATOM 99 N ARG X 114 19.698 -15.476 -5.082 1.00 0.00 N ATOM 100 CA ARG X 114 19.611 -14.364 -6.041 1.00 0.00 C ATOM 101 C ARG X 114 18.456 -13.410 -5.705 1.00 0.00 C ATOM 102 O ARG X 114 17.347 -13.836 -5.375 1.00 0.00 O ATOM 103 CB ARG X 114 19.459 -14.907 -7.473 1.00 0.00 C ATOM 104 CG ARG X 114 18.136 -15.641 -7.751 1.00 0.00 C ATOM 105 CD ARG X 114 18.093 -16.224 -9.157 1.00 0.00 C ATOM 106 NE ARG X 114 18.152 -15.179 -10.173 1.00 0.00 N ATOM 107 CZ ARG X 114 18.054 -15.391 -11.471 1.00 0.00 C ATOM 108 NH1 ARG X 114 17.875 -16.600 -11.932 1.00 0.00 N ATOM 109 NH2 ARG X 114 18.137 -14.393 -12.299 1.00 0.00 N ATOM 0 H ARG X 114 19.715 -16.401 -5.512 1.00 0.00 H new ATOM 0 HA ARG X 114 20.537 -13.794 -5.971 1.00 0.00 H new ATOM 0 HB2 ARG X 114 19.550 -14.076 -8.173 1.00 0.00 H new ATOM 0 HB3 ARG X 114 20.285 -15.588 -7.677 1.00 0.00 H new ATOM 0 HG2 ARG X 114 18.005 -16.441 -7.022 1.00 0.00 H new ATOM 0 HG3 ARG X 114 17.303 -14.950 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG X 114 18.928 -16.911 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG X 114 17.179 -16.804 -9.283 1.00 0.00 H new ATOM 0 HE ARG X 114 18.278 -14.217 -9.858 1.00 0.00 H new ATOM 0 HH11 ARG X 114 17.810 -17.387 -11.287 1.00 0.00 H new ATOM 0 HH12 ARG X 114 17.800 -16.757 -12.937 1.00 0.00 H new ATOM 0 HH21 ARG X 114 18.278 -13.447 -11.945 1.00 0.00 H new ATOM 0 HH22 ARG X 114 18.061 -14.556 -13.303 1.00 0.00 H new ATOM 123 N GLY X 115 18.747 -12.118 -5.752 1.00 0.00 N ATOM 124 CA GLY X 115 17.756 -11.098 -5.445 1.00 0.00 C ATOM 125 C GLY X 115 17.863 -9.893 -6.358 1.00 0.00 C ATOM 126 O GLY X 115 18.201 -8.813 -5.913 1.00 0.00 O ATOM 0 H GLY X 115 19.665 -11.751 -6.001 1.00 0.00 H new ATOM 0 HA2 GLY X 115 16.758 -11.528 -5.531 1.00 0.00 H new ATOM 0 HA3 GLY X 115 17.877 -10.778 -4.410 1.00 0.00 H new ATOM 130 N GLU X 116 17.604 -10.084 -7.643 1.00 0.00 N ATOM 131 CA GLU X 116 17.683 -9.001 -8.636 1.00 0.00 C ATOM 132 C GLU X 116 16.586 -7.938 -8.448 1.00 0.00 C ATOM 133 O GLU X 116 16.512 -6.957 -9.182 1.00 0.00 O ATOM 134 CB GLU X 116 17.573 -9.581 -10.055 1.00 0.00 C ATOM 135 CG GLU X 116 18.776 -10.427 -10.490 1.00 0.00 C ATOM 136 CD GLU X 116 18.725 -11.891 -10.030 1.00 0.00 C ATOM 137 OE1 GLU X 116 17.788 -12.290 -9.302 1.00 0.00 O ATOM 138 OE2 GLU X 116 19.566 -12.653 -10.540 1.00 0.00 O ATOM 0 H GLU X 116 17.334 -10.986 -8.034 1.00 0.00 H new ATOM 0 HA GLU X 116 18.648 -8.514 -8.491 1.00 0.00 H new ATOM 0 HB2 GLU X 116 16.673 -10.193 -10.115 1.00 0.00 H new ATOM 0 HB3 GLU X 116 17.448 -8.760 -10.761 1.00 0.00 H new ATOM 0 HG2 GLU X 116 18.846 -10.403 -11.577 1.00 0.00 H new ATOM 0 HG3 GLU X 116 19.686 -9.969 -10.102 1.00 0.00 H new ATOM 145 N GLY X 117 15.732 -8.153 -7.463 1.00 0.00 N ATOM 146 CA GLY X 117 14.651 -7.240 -7.161 1.00 0.00 C ATOM 147 C GLY X 117 13.925 -7.868 -6.001 1.00 0.00 C ATOM 148 O GLY X 117 14.334 -8.945 -5.564 1.00 0.00 O ATOM 0 H GLY X 117 15.771 -8.968 -6.851 1.00 0.00 H new ATOM 0 HA2 GLY X 117 15.030 -6.251 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY X 117 13.990 -7.113 -8.018 1.00 0.00 H new ATOM 152 N HIS X 118 12.862 -7.247 -5.509 1.00 0.00 N ATOM 153 CA HIS X 118 12.116 -7.824 -4.390 1.00 0.00 C ATOM 154 C HIS X 118 11.696 -9.254 -4.626 1.00 0.00 C ATOM 155 O HIS X 118 10.953 -9.531 -5.564 1.00 0.00 O ATOM 156 CB HIS X 118 10.794 -7.129 -4.159 1.00 0.00 C ATOM 157 CG HIS X 118 10.884 -5.723 -3.690 1.00 0.00 C ATOM 158 ND1 HIS X 118 11.401 -5.363 -2.454 1.00 0.00 N ATOM 159 CD2 HIS X 118 10.410 -4.585 -4.274 1.00 0.00 C ATOM 160 CE1 HIS X 118 11.228 -4.029 -2.360 1.00 0.00 C ATOM 161 NE2 HIS X 118 10.655 -3.546 -3.448 1.00 0.00 N ATOM 0 H HIS X 118 12.498 -6.360 -5.856 1.00 0.00 H new ATOM 0 HA HIS X 118 12.813 -7.723 -3.558 1.00 0.00 H new ATOM 0 HB2 HIS X 118 10.226 -7.148 -5.089 1.00 0.00 H new ATOM 0 HB3 HIS X 118 10.225 -7.702 -3.427 1.00 0.00 H new ATOM 0 HD2 HIS X 118 9.921 -4.525 -5.235 1.00 0.00 H new ATOM 0 HE1 HIS X 118 11.520 -3.434 -1.507 1.00 0.00 H new ATOM 0 HE2 HIS X 118 10.437 -2.566 -3.631 1.00 0.00 H new ATOM 169 N ARG X 119 12.135 -10.171 -3.779 1.00 0.00 N ATOM 170 CA ARG X 119 11.719 -11.554 -3.956 1.00 0.00 C ATOM 171 C ARG X 119 10.214 -11.737 -3.750 1.00 0.00 C ATOM 172 O ARG X 119 9.607 -12.527 -4.453 1.00 0.00 O ATOM 173 CB ARG X 119 12.587 -12.496 -3.137 1.00 0.00 C ATOM 174 CG ARG X 119 12.539 -12.300 -1.639 1.00 0.00 C ATOM 175 CD ARG X 119 13.542 -13.234 -0.970 1.00 0.00 C ATOM 176 NE ARG X 119 14.915 -12.856 -1.333 1.00 0.00 N ATOM 177 CZ ARG X 119 15.692 -13.501 -2.186 1.00 0.00 C ATOM 178 NH1 ARG X 119 15.282 -14.579 -2.787 1.00 0.00 N ATOM 179 NH2 ARG X 119 16.887 -13.047 -2.428 1.00 0.00 N ATOM 0 H ARG X 119 12.756 -9.995 -2.990 1.00 0.00 H new ATOM 0 HA ARG X 119 11.885 -11.831 -4.997 1.00 0.00 H new ATOM 0 HB2 ARG X 119 12.289 -13.520 -3.360 1.00 0.00 H new ATOM 0 HB3 ARG X 119 13.620 -12.386 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG X 119 12.769 -11.264 -1.390 1.00 0.00 H new ATOM 0 HG3 ARG X 119 11.534 -12.502 -1.267 1.00 0.00 H new ATOM 0 HD2 ARG X 119 13.421 -13.193 0.112 1.00 0.00 H new ATOM 0 HD3 ARG X 119 13.349 -14.263 -1.274 1.00 0.00 H new ATOM 0 HE ARG X 119 15.302 -12.024 -0.888 1.00 0.00 H new ATOM 0 HH11 ARG X 119 14.346 -14.941 -2.603 1.00 0.00 H new ATOM 0 HH12 ARG X 119 15.896 -15.063 -3.442 1.00 0.00 H new ATOM 0 HH21 ARG X 119 17.216 -12.202 -1.961 1.00 0.00 H new ATOM 0 HH22 ARG X 119 17.495 -13.536 -3.084 1.00 0.00 H new ATOM 193 N PHE X 120 9.621 -11.012 -2.796 1.00 0.00 N ATOM 194 CA PHE X 120 8.182 -11.096 -2.530 1.00 0.00 C ATOM 195 C PHE X 120 7.734 -12.531 -2.265 1.00 0.00 C ATOM 196 O PHE X 120 6.913 -13.073 -2.978 1.00 0.00 O ATOM 197 CB PHE X 120 7.327 -10.462 -3.647 1.00 0.00 C ATOM 198 CG PHE X 120 7.386 -8.964 -3.714 1.00 0.00 C ATOM 199 CD1 PHE X 120 6.974 -8.197 -2.632 1.00 0.00 C ATOM 200 CD2 PHE X 120 7.769 -8.320 -4.874 1.00 0.00 C ATOM 201 CE1 PHE X 120 6.979 -6.818 -2.701 1.00 0.00 C ATOM 202 CE2 PHE X 120 7.758 -6.936 -4.950 1.00 0.00 C ATOM 203 CZ PHE X 120 7.372 -6.187 -3.858 1.00 0.00 C ATOM 0 H PHE X 120 10.119 -10.357 -2.193 1.00 0.00 H new ATOM 0 HA PHE X 120 8.016 -10.512 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE X 120 7.650 -10.867 -4.606 1.00 0.00 H new ATOM 0 HB3 PHE X 120 6.289 -10.764 -3.506 1.00 0.00 H new ATOM 0 HD1 PHE X 120 6.646 -8.685 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE X 120 8.080 -8.900 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE X 120 6.674 -6.234 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE X 120 8.052 -6.444 -5.865 1.00 0.00 H new ATOM 0 HZ PHE X 120 7.378 -5.108 -3.911 1.00 0.00 H new ATOM 213 N VAL X 121 8.303 -13.158 -1.254 1.00 0.00 N ATOM 214 CA VAL X 121 7.925 -14.559 -0.946 1.00 0.00 C ATOM 215 C VAL X 121 6.489 -14.675 -0.401 1.00 0.00 C ATOM 216 O VAL X 121 6.171 -14.181 0.678 1.00 0.00 O ATOM 217 CB VAL X 121 8.946 -15.305 -0.036 1.00 0.00 C ATOM 218 CG1 VAL X 121 10.200 -15.620 -0.831 1.00 0.00 C ATOM 219 CG2 VAL X 121 9.350 -14.485 1.179 1.00 0.00 C ATOM 0 H VAL X 121 9.008 -12.752 -0.639 1.00 0.00 H new ATOM 0 HA VAL X 121 7.954 -15.073 -1.907 1.00 0.00 H new ATOM 0 HB VAL X 121 8.456 -16.215 0.311 1.00 0.00 H new ATOM 0 HG11 VAL X 121 10.914 -16.142 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL X 121 9.943 -16.252 -1.681 1.00 0.00 H new ATOM 0 HG13 VAL X 121 10.645 -14.692 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL X 121 10.062 -15.051 1.779 1.00 0.00 H new ATOM 0 HG22 VAL X 121 9.811 -13.553 0.852 1.00 0.00 H new ATOM 0 HG23 VAL X 121 8.467 -14.263 1.778 1.00 0.00 H new ATOM 229 N GLU X 122 5.615 -15.295 -1.179 1.00 0.00 N ATOM 230 CA GLU X 122 4.202 -15.470 -0.817 1.00 0.00 C ATOM 231 C GLU X 122 3.901 -16.205 0.497 1.00 0.00 C ATOM 232 O GLU X 122 4.422 -17.285 0.776 1.00 0.00 O ATOM 233 CB GLU X 122 3.436 -16.141 -1.976 1.00 0.00 C ATOM 234 CG GLU X 122 3.868 -17.579 -2.349 1.00 0.00 C ATOM 235 CD GLU X 122 5.117 -17.655 -3.236 1.00 0.00 C ATOM 236 OE1 GLU X 122 5.650 -16.587 -3.615 1.00 0.00 O ATOM 237 OE2 GLU X 122 5.536 -18.797 -3.516 1.00 0.00 O ATOM 0 H GLU X 122 5.859 -15.695 -2.085 1.00 0.00 H new ATOM 0 HA GLU X 122 3.857 -14.452 -0.635 1.00 0.00 H new ATOM 0 HB2 GLU X 122 2.377 -16.159 -1.719 1.00 0.00 H new ATOM 0 HB3 GLU X 122 3.539 -15.514 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU X 122 4.054 -18.139 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU X 122 3.042 -18.072 -2.862 1.00 0.00 H new ATOM 244 N LEU X 123 3.044 -15.609 1.314 1.00 0.00 N ATOM 245 CA LEU X 123 2.646 -16.237 2.570 1.00 0.00 C ATOM 246 C LEU X 123 1.495 -17.212 2.297 1.00 0.00 C ATOM 247 O LEU X 123 0.503 -16.865 1.661 1.00 0.00 O ATOM 248 CB LEU X 123 2.354 -15.207 3.688 1.00 0.00 C ATOM 249 CG LEU X 123 1.273 -14.107 3.631 1.00 0.00 C ATOM 250 CD1 LEU X 123 -0.155 -14.571 3.472 1.00 0.00 C ATOM 251 CD2 LEU X 123 1.361 -13.345 4.936 1.00 0.00 C ATOM 0 H LEU X 123 2.614 -14.702 1.135 1.00 0.00 H new ATOM 0 HA LEU X 123 3.482 -16.813 2.967 1.00 0.00 H new ATOM 0 HB2 LEU X 123 2.136 -15.792 4.581 1.00 0.00 H new ATOM 0 HB3 LEU X 123 3.296 -14.689 3.868 1.00 0.00 H new ATOM 0 HG LEU X 123 1.484 -13.524 2.735 1.00 0.00 H new ATOM 0 HD11 LEU X 123 -0.818 -13.706 3.445 1.00 0.00 H new ATOM 0 HD12 LEU X 123 -0.254 -15.133 2.543 1.00 0.00 H new ATOM 0 HD13 LEU X 123 -0.426 -15.210 4.313 1.00 0.00 H new ATOM 0 HD21 LEU X 123 0.613 -12.552 4.945 1.00 0.00 H new ATOM 0 HD22 LEU X 123 1.179 -14.026 5.768 1.00 0.00 H new ATOM 0 HD23 LEU X 123 2.355 -12.908 5.036 1.00 0.00 H new ATOM 263 N ALA X 124 1.641 -18.455 2.722 1.00 0.00 N ATOM 264 CA ALA X 124 0.579 -19.431 2.507 1.00 0.00 C ATOM 265 C ALA X 124 -0.695 -18.975 3.238 1.00 0.00 C ATOM 266 O ALA X 124 -0.681 -18.791 4.452 1.00 0.00 O ATOM 267 CB ALA X 124 1.021 -20.800 3.007 1.00 0.00 C ATOM 0 H ALA X 124 2.464 -18.810 3.208 1.00 0.00 H new ATOM 0 HA ALA X 124 0.366 -19.506 1.441 1.00 0.00 H new ATOM 0 HB1 ALA X 124 0.222 -21.523 2.843 1.00 0.00 H new ATOM 0 HB2 ALA X 124 1.912 -21.115 2.465 1.00 0.00 H new ATOM 0 HB3 ALA X 124 1.245 -20.743 4.072 1.00 0.00 H new ATOM 273 N LEU X 125 -1.802 -18.842 2.516 1.00 0.00 N ATOM 274 CA LEU X 125 -3.078 -18.425 3.127 1.00 0.00 C ATOM 275 C LEU X 125 -3.623 -19.496 4.080 1.00 0.00 C ATOM 276 O LEU X 125 -4.589 -19.283 4.802 1.00 0.00 O ATOM 277 CB LEU X 125 -4.109 -18.106 2.037 1.00 0.00 C ATOM 278 CG LEU X 125 -3.808 -16.875 1.166 1.00 0.00 C ATOM 279 CD1 LEU X 125 -4.910 -16.722 0.149 1.00 0.00 C ATOM 280 CD2 LEU X 125 -3.722 -15.608 1.993 1.00 0.00 C ATOM 0 H LEU X 125 -1.851 -19.014 1.512 1.00 0.00 H new ATOM 0 HA LEU X 125 -2.889 -17.525 3.713 1.00 0.00 H new ATOM 0 HB2 LEU X 125 -4.200 -18.975 1.385 1.00 0.00 H new ATOM 0 HB3 LEU X 125 -5.079 -17.962 2.513 1.00 0.00 H new ATOM 0 HG LEU X 125 -2.844 -17.027 0.681 1.00 0.00 H new ATOM 0 HD11 LEU X 125 -4.710 -15.852 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU X 125 -4.956 -17.615 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU X 125 -5.862 -16.589 0.662 1.00 0.00 H new ATOM 0 HD21 LEU X 125 -3.508 -14.761 1.341 1.00 0.00 H new ATOM 0 HD22 LEU X 125 -4.670 -15.442 2.504 1.00 0.00 H new ATOM 0 HD23 LEU X 125 -2.926 -15.708 2.730 1.00 0.00 H new ATOM 292 N ARG X 126 -2.983 -20.660 4.074 1.00 0.00 N ATOM 293 CA ARG X 126 -3.366 -21.778 4.944 1.00 0.00 C ATOM 294 C ARG X 126 -3.176 -21.436 6.423 1.00 0.00 C ATOM 295 O ARG X 126 -3.648 -22.154 7.291 1.00 0.00 O ATOM 296 CB ARG X 126 -2.541 -23.023 4.607 1.00 0.00 C ATOM 297 CG ARG X 126 -2.787 -23.561 3.198 1.00 0.00 C ATOM 298 CD ARG X 126 -1.953 -24.809 2.929 1.00 0.00 C ATOM 299 NE ARG X 126 -2.364 -25.928 3.780 1.00 0.00 N ATOM 300 CZ ARG X 126 -1.786 -27.117 3.771 1.00 0.00 C ATOM 301 NH1 ARG X 126 -0.790 -27.357 2.962 1.00 0.00 N ATOM 302 NH2 ARG X 126 -2.207 -28.059 4.570 1.00 0.00 N ATOM 0 H ARG X 126 -2.186 -20.860 3.470 1.00 0.00 H new ATOM 0 HA ARG X 126 -4.423 -21.975 4.768 1.00 0.00 H new ATOM 0 HB2 ARG X 126 -1.482 -22.787 4.716 1.00 0.00 H new ATOM 0 HB3 ARG X 126 -2.769 -23.806 5.330 1.00 0.00 H new ATOM 0 HG2 ARG X 126 -3.845 -23.794 3.075 1.00 0.00 H new ATOM 0 HG3 ARG X 126 -2.542 -22.792 2.465 1.00 0.00 H new ATOM 0 HD2 ARG X 126 -2.051 -25.093 1.881 1.00 0.00 H new ATOM 0 HD3 ARG X 126 -0.900 -24.587 3.102 1.00 0.00 H new ATOM 0 HE ARG X 126 -3.145 -25.781 4.419 1.00 0.00 H new ATOM 0 HH11 ARG X 126 -0.455 -26.626 2.334 1.00 0.00 H new ATOM 0 HH12 ARG X 126 -0.346 -28.275 2.958 1.00 0.00 H new ATOM 0 HH21 ARG X 126 -2.985 -27.879 5.205 1.00 0.00 H new ATOM 0 HH22 ARG X 126 -1.758 -28.975 4.560 1.00 0.00 H new ATOM 316 N GLY X 127 -2.464 -20.351 6.690 1.00 0.00 N ATOM 317 CA GLY X 127 -2.200 -19.924 8.055 1.00 0.00 C ATOM 318 C GLY X 127 -3.293 -19.056 8.656 1.00 0.00 C ATOM 319 O GLY X 127 -3.126 -18.532 9.750 1.00 0.00 O ATOM 0 H GLY X 127 -2.057 -19.748 5.975 1.00 0.00 H new ATOM 0 HA2 GLY X 127 -2.066 -20.806 8.681 1.00 0.00 H new ATOM 0 HA3 GLY X 127 -1.260 -19.373 8.076 1.00 0.00 H new ATOM 323 N GLY X 128 -4.405 -18.897 7.954 1.00 0.00 N ATOM 324 CA GLY X 128 -5.482 -18.056 8.456 1.00 0.00 C ATOM 325 C GLY X 128 -5.305 -16.658 7.899 1.00 0.00 C ATOM 326 O GLY X 128 -4.589 -16.505 6.905 1.00 0.00 O ATOM 0 H GLY X 128 -4.585 -19.332 7.049 1.00 0.00 H new ATOM 0 HA2 GLY X 128 -6.449 -18.462 8.158 1.00 0.00 H new ATOM 0 HA3 GLY X 128 -5.468 -18.033 9.546 1.00 0.00 H new ATOM 330 N PRO X 129 -5.984 -15.634 8.447 1.00 0.00 N ATOM 331 CA PRO X 129 -5.789 -14.303 7.866 1.00 0.00 C ATOM 332 C PRO X 129 -4.354 -13.823 7.882 1.00 0.00 C ATOM 333 O PRO X 129 -3.517 -14.309 8.639 1.00 0.00 O ATOM 334 CB PRO X 129 -6.561 -13.399 8.831 1.00 0.00 C ATOM 335 CG PRO X 129 -7.602 -14.228 9.361 1.00 0.00 C ATOM 336 CD PRO X 129 -6.921 -15.569 9.582 1.00 0.00 C ATOM 0 HA PRO X 129 -6.102 -14.302 6.822 1.00 0.00 H new ATOM 0 HB2 PRO X 129 -5.914 -13.023 9.623 1.00 0.00 H new ATOM 0 HB3 PRO X 129 -6.971 -12.531 8.316 1.00 0.00 H new ATOM 0 HG2 PRO X 129 -8.001 -13.824 10.291 1.00 0.00 H new ATOM 0 HG3 PRO X 129 -8.438 -14.313 8.667 1.00 0.00 H new ATOM 0 HD2 PRO X 129 -6.403 -15.609 10.540 1.00 0.00 H new ATOM 0 HD3 PRO X 129 -7.633 -16.394 9.570 1.00 0.00 H new ATOM 344 N GLY X 130 -4.085 -12.820 7.073 1.00 0.00 N ATOM 345 CA GLY X 130 -2.768 -12.240 7.024 1.00 0.00 C ATOM 346 C GLY X 130 -3.084 -10.783 6.875 1.00 0.00 C ATOM 347 O GLY X 130 -4.213 -10.454 6.532 1.00 0.00 O ATOM 0 H GLY X 130 -4.763 -12.393 6.442 1.00 0.00 H new ATOM 0 HA2 GLY X 130 -2.197 -12.445 7.929 1.00 0.00 H new ATOM 0 HA3 GLY X 130 -2.184 -12.620 6.186 1.00 0.00 H new ATOM 351 N TRP X 131 -2.132 -9.915 7.130 1.00 0.00 N ATOM 352 CA TRP X 131 -2.360 -8.484 7.034 1.00 0.00 C ATOM 353 C TRP X 131 -1.341 -7.851 6.088 1.00 0.00 C ATOM 354 O TRP X 131 -0.166 -8.175 6.171 1.00 0.00 O ATOM 355 CB TRP X 131 -2.265 -7.935 8.457 1.00 0.00 C ATOM 356 CG TRP X 131 -3.418 -8.485 9.301 1.00 0.00 C ATOM 357 CD1 TRP X 131 -3.487 -9.696 9.941 1.00 0.00 C ATOM 358 CD2 TRP X 131 -4.665 -7.828 9.589 1.00 0.00 C ATOM 359 NE1 TRP X 131 -4.694 -9.841 10.574 1.00 0.00 N ATOM 360 CE2 TRP X 131 -5.434 -8.707 10.386 1.00 0.00 C ATOM 361 CE3 TRP X 131 -5.205 -6.589 9.255 1.00 0.00 C ATOM 362 CZ2 TRP X 131 -6.706 -8.374 10.844 1.00 0.00 C ATOM 363 CZ3 TRP X 131 -6.462 -6.249 9.716 1.00 0.00 C ATOM 364 CH2 TRP X 131 -7.204 -7.143 10.506 1.00 0.00 C ATOM 0 H TRP X 131 -1.185 -10.173 7.408 1.00 0.00 H new ATOM 0 HA TRP X 131 -3.339 -8.250 6.616 1.00 0.00 H new ATOM 0 HB2 TRP X 131 -1.310 -8.215 8.902 1.00 0.00 H new ATOM 0 HB3 TRP X 131 -2.302 -6.846 8.440 1.00 0.00 H new ATOM 0 HD1 TRP X 131 -2.699 -10.434 9.946 1.00 0.00 H new ATOM 0 HE1 TRP X 131 -4.992 -10.662 11.100 1.00 0.00 H new ATOM 0 HE3 TRP X 131 -4.646 -5.899 8.640 1.00 0.00 H new ATOM 0 HZ2 TRP X 131 -7.281 -9.063 11.445 1.00 0.00 H new ATOM 0 HZ3 TRP X 131 -6.879 -5.285 9.466 1.00 0.00 H new ATOM 0 HH2 TRP X 131 -8.185 -6.855 10.853 1.00 0.00 H new ATOM 375 N CYS X 132 -1.779 -6.976 5.190 1.00 0.00 N ATOM 376 CA CYS X 132 -0.856 -6.303 4.277 1.00 0.00 C ATOM 377 C CYS X 132 -0.222 -5.283 5.195 1.00 0.00 C ATOM 378 O CYS X 132 -0.890 -4.313 5.543 1.00 0.00 O ATOM 379 CB CYS X 132 -1.618 -5.643 3.131 1.00 0.00 C ATOM 380 SG CYS X 132 -0.615 -4.649 2.023 1.00 0.00 S ATOM 0 H CYS X 132 -2.758 -6.716 5.073 1.00 0.00 H new ATOM 0 HA CYS X 132 -0.135 -6.959 3.789 1.00 0.00 H new ATOM 0 HB2 CYS X 132 -2.113 -6.420 2.549 1.00 0.00 H new ATOM 0 HB3 CYS X 132 -2.401 -5.012 3.552 1.00 0.00 H new ATOM 385 N ASP X 133 1.040 -5.476 5.563 1.00 0.00 N ATOM 386 CA ASP X 133 1.714 -4.573 6.521 1.00 0.00 C ATOM 387 C ASP X 133 1.521 -3.140 6.052 1.00 0.00 C ATOM 388 O ASP X 133 1.228 -2.234 6.823 1.00 0.00 O ATOM 389 CB ASP X 133 3.206 -4.883 6.601 1.00 0.00 C ATOM 390 CG ASP X 133 3.506 -6.336 7.025 1.00 0.00 C ATOM 391 OD1 ASP X 133 2.648 -6.962 7.663 1.00 0.00 O ATOM 392 OD2 ASP X 133 4.653 -6.791 6.771 1.00 0.00 O ATOM 0 H ASP X 133 1.623 -6.240 5.222 1.00 0.00 H new ATOM 0 HA ASP X 133 1.281 -4.714 7.511 1.00 0.00 H new ATOM 0 HB2 ASP X 133 3.662 -4.694 5.629 1.00 0.00 H new ATOM 0 HB3 ASP X 133 3.674 -4.201 7.311 1.00 0.00 H new ATOM 397 N LEU X 134 1.675 -2.972 4.754 1.00 0.00 N ATOM 398 CA LEU X 134 1.487 -1.701 4.083 1.00 0.00 C ATOM 399 C LEU X 134 0.064 -1.115 4.242 1.00 0.00 C ATOM 400 O LEU X 134 -0.100 0.049 4.593 1.00 0.00 O ATOM 401 CB LEU X 134 1.800 -1.933 2.608 1.00 0.00 C ATOM 402 CG LEU X 134 1.234 -0.947 1.595 1.00 0.00 C ATOM 403 CD1 LEU X 134 1.762 0.455 1.781 1.00 0.00 C ATOM 404 CD2 LEU X 134 1.594 -1.452 0.240 1.00 0.00 C ATOM 0 H LEU X 134 1.939 -3.729 4.124 1.00 0.00 H new ATOM 0 HA LEU X 134 2.150 -0.964 4.537 1.00 0.00 H new ATOM 0 HB2 LEU X 134 2.884 -1.944 2.494 1.00 0.00 H new ATOM 0 HB3 LEU X 134 1.442 -2.928 2.343 1.00 0.00 H new ATOM 0 HG LEU X 134 0.154 -0.882 1.730 1.00 0.00 H new ATOM 0 HD11 LEU X 134 1.323 1.112 1.030 1.00 0.00 H new ATOM 0 HD12 LEU X 134 1.499 0.814 2.776 1.00 0.00 H new ATOM 0 HD13 LEU X 134 2.846 0.453 1.671 1.00 0.00 H new ATOM 0 HD21 LEU X 134 1.205 -0.771 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU X 134 2.679 -1.513 0.151 1.00 0.00 H new ATOM 0 HD23 LEU X 134 1.162 -2.442 0.094 1.00 0.00 H new ATOM 416 N CYS X 135 -0.956 -1.913 3.942 1.00 0.00 N ATOM 417 CA CYS X 135 -2.346 -1.441 4.029 1.00 0.00 C ATOM 418 C CYS X 135 -2.953 -1.368 5.432 1.00 0.00 C ATOM 419 O CYS X 135 -3.859 -0.577 5.689 1.00 0.00 O ATOM 420 CB CYS X 135 -3.259 -2.352 3.191 1.00 0.00 C ATOM 421 SG CYS X 135 -3.140 -2.149 1.429 1.00 0.00 S ATOM 0 H CYS X 135 -0.855 -2.882 3.639 1.00 0.00 H new ATOM 0 HA CYS X 135 -2.293 -0.417 3.659 1.00 0.00 H new ATOM 0 HB2 CYS X 135 -3.030 -3.389 3.435 1.00 0.00 H new ATOM 0 HB3 CYS X 135 -4.292 -2.175 3.490 1.00 0.00 H new ATOM 426 N GLY X 136 -2.501 -2.247 6.308 1.00 0.00 N ATOM 427 CA GLY X 136 -3.035 -2.322 7.657 1.00 0.00 C ATOM 428 C GLY X 136 -4.327 -3.126 7.649 1.00 0.00 C ATOM 429 O GLY X 136 -4.955 -3.337 8.678 1.00 0.00 O ATOM 0 H GLY X 136 -1.762 -2.922 6.109 1.00 0.00 H new ATOM 0 HA2 GLY X 136 -2.308 -2.789 8.322 1.00 0.00 H new ATOM 0 HA3 GLY X 136 -3.221 -1.319 8.042 1.00 0.00 H new ATOM 433 N ARG X 137 -4.734 -3.557 6.458 1.00 0.00 N ATOM 434 CA ARG X 137 -5.958 -4.333 6.263 1.00 0.00 C ATOM 435 C ARG X 137 -5.647 -5.804 5.987 1.00 0.00 C ATOM 436 O ARG X 137 -4.498 -6.165 5.768 1.00 0.00 O ATOM 437 CB ARG X 137 -6.672 -3.723 5.067 1.00 0.00 C ATOM 438 CG ARG X 137 -7.098 -2.287 5.332 1.00 0.00 C ATOM 439 CD ARG X 137 -7.636 -1.639 4.097 1.00 0.00 C ATOM 440 NE ARG X 137 -6.599 -1.390 3.093 1.00 0.00 N ATOM 441 CZ ARG X 137 -6.823 -0.842 1.914 1.00 0.00 C ATOM 442 NH1 ARG X 137 -8.033 -0.493 1.572 1.00 0.00 N ATOM 443 NH2 ARG X 137 -5.839 -0.647 1.083 1.00 0.00 N ATOM 0 H ARG X 137 -4.221 -3.377 5.595 1.00 0.00 H new ATOM 0 HA ARG X 137 -6.574 -4.300 7.162 1.00 0.00 H new ATOM 0 HB2 ARG X 137 -6.014 -3.752 4.198 1.00 0.00 H new ATOM 0 HB3 ARG X 137 -7.549 -4.323 4.823 1.00 0.00 H new ATOM 0 HG2 ARG X 137 -7.858 -2.270 6.114 1.00 0.00 H new ATOM 0 HG3 ARG X 137 -6.247 -1.716 5.702 1.00 0.00 H new ATOM 0 HD2 ARG X 137 -8.409 -2.275 3.665 1.00 0.00 H new ATOM 0 HD3 ARG X 137 -8.112 -0.695 4.364 1.00 0.00 H new ATOM 0 HE ARG X 137 -5.641 -1.658 3.320 1.00 0.00 H new ATOM 0 HH11 ARG X 137 -8.809 -0.644 2.217 1.00 0.00 H new ATOM 0 HH12 ARG X 137 -8.203 -0.070 0.660 1.00 0.00 H new ATOM 0 HH21 ARG X 137 -4.891 -0.918 1.343 1.00 0.00 H new ATOM 0 HH22 ARG X 137 -6.017 -0.223 0.172 1.00 0.00 H new ATOM 457 N GLU X 138 -6.670 -6.642 5.964 1.00 0.00 N ATOM 458 CA GLU X 138 -6.481 -8.075 5.721 1.00 0.00 C ATOM 459 C GLU X 138 -6.201 -8.443 4.272 1.00 0.00 C ATOM 460 O GLU X 138 -6.764 -7.863 3.336 1.00 0.00 O ATOM 461 CB GLU X 138 -7.736 -8.856 6.111 1.00 0.00 C ATOM 462 CG GLU X 138 -8.053 -8.839 7.578 1.00 0.00 C ATOM 463 CD GLU X 138 -9.322 -9.615 7.884 1.00 0.00 C ATOM 464 OE1 GLU X 138 -9.359 -10.813 7.520 1.00 0.00 O ATOM 465 OE2 GLU X 138 -10.284 -8.971 8.351 1.00 0.00 O ATOM 0 H GLU X 138 -7.640 -6.362 6.109 1.00 0.00 H new ATOM 0 HA GLU X 138 -5.611 -8.331 6.325 1.00 0.00 H new ATOM 0 HB2 GLU X 138 -8.586 -8.448 5.564 1.00 0.00 H new ATOM 0 HB3 GLU X 138 -7.618 -9.891 5.790 1.00 0.00 H new ATOM 0 HG2 GLU X 138 -7.220 -9.267 8.136 1.00 0.00 H new ATOM 0 HG3 GLU X 138 -8.166 -7.808 7.915 1.00 0.00 H new ATOM 472 N VAL X 139 -5.350 -9.440 4.089 1.00 0.00 N ATOM 473 CA VAL X 139 -5.023 -9.937 2.765 1.00 0.00 C ATOM 474 C VAL X 139 -5.768 -11.245 2.487 1.00 0.00 C ATOM 475 O VAL X 139 -5.267 -12.342 2.683 1.00 0.00 O ATOM 476 CB VAL X 139 -3.493 -10.146 2.576 1.00 0.00 C ATOM 477 CG1 VAL X 139 -2.798 -8.830 2.515 1.00 0.00 C ATOM 478 CG2 VAL X 139 -2.862 -10.921 3.711 1.00 0.00 C ATOM 0 H VAL X 139 -4.871 -9.923 4.849 1.00 0.00 H new ATOM 0 HA VAL X 139 -5.342 -9.178 2.050 1.00 0.00 H new ATOM 0 HB VAL X 139 -3.382 -10.709 1.650 1.00 0.00 H new ATOM 0 HG11 VAL X 139 -1.728 -8.989 2.383 1.00 0.00 H new ATOM 0 HG12 VAL X 139 -3.185 -8.252 1.676 1.00 0.00 H new ATOM 0 HG13 VAL X 139 -2.971 -8.284 3.442 1.00 0.00 H new ATOM 0 HG21 VAL X 139 -1.794 -11.036 3.524 1.00 0.00 H new ATOM 0 HG22 VAL X 139 -3.011 -10.382 4.647 1.00 0.00 H new ATOM 0 HG23 VAL X 139 -3.326 -11.905 3.782 1.00 0.00 H new ATOM 488 N LEU X 140 -6.986 -11.112 1.990 1.00 0.00 N ATOM 489 CA LEU X 140 -7.779 -12.288 1.642 1.00 0.00 C ATOM 490 C LEU X 140 -7.113 -12.860 0.395 1.00 0.00 C ATOM 491 O LEU X 140 -7.073 -14.062 0.156 1.00 0.00 O ATOM 492 CB LEU X 140 -9.240 -11.908 1.391 1.00 0.00 C ATOM 493 CG LEU X 140 -9.976 -11.344 2.619 1.00 0.00 C ATOM 494 CD1 LEU X 140 -11.418 -11.105 2.251 1.00 0.00 C ATOM 495 CD2 LEU X 140 -9.914 -12.287 3.806 1.00 0.00 C ATOM 0 H LEU X 140 -7.446 -10.218 1.819 1.00 0.00 H new ATOM 0 HA LEU X 140 -7.806 -13.023 2.447 1.00 0.00 H new ATOM 0 HB2 LEU X 140 -9.277 -11.169 0.591 1.00 0.00 H new ATOM 0 HB3 LEU X 140 -9.775 -12.789 1.036 1.00 0.00 H new ATOM 0 HG LEU X 140 -9.486 -10.415 2.910 1.00 0.00 H new ATOM 0 HD11 LEU X 140 -11.952 -10.705 3.113 1.00 0.00 H new ATOM 0 HD12 LEU X 140 -11.470 -10.392 1.429 1.00 0.00 H new ATOM 0 HD13 LEU X 140 -11.876 -12.046 1.945 1.00 0.00 H new ATOM 0 HD21 LEU X 140 -10.447 -11.847 4.649 1.00 0.00 H new ATOM 0 HD22 LEU X 140 -10.377 -13.237 3.540 1.00 0.00 H new ATOM 0 HD23 LEU X 140 -8.873 -12.456 4.083 1.00 0.00 H new ATOM 507 N ARG X 141 -6.594 -11.938 -0.403 1.00 0.00 N ATOM 508 CA ARG X 141 -5.879 -12.252 -1.637 1.00 0.00 C ATOM 509 C ARG X 141 -4.466 -12.662 -1.219 1.00 0.00 C ATOM 510 O ARG X 141 -4.028 -12.318 -0.139 1.00 0.00 O ATOM 511 CB ARG X 141 -5.883 -11.024 -2.553 1.00 0.00 C ATOM 512 CG ARG X 141 -7.310 -10.642 -2.977 1.00 0.00 C ATOM 513 CD ARG X 141 -7.374 -9.359 -3.801 1.00 0.00 C ATOM 514 NE ARG X 141 -6.723 -9.474 -5.104 1.00 0.00 N ATOM 515 CZ ARG X 141 -7.269 -10.025 -6.174 1.00 0.00 C ATOM 516 NH1 ARG X 141 -8.470 -10.535 -6.124 1.00 0.00 N ATOM 517 NH2 ARG X 141 -6.606 -10.062 -7.291 1.00 0.00 N ATOM 0 H ARG X 141 -6.657 -10.938 -0.212 1.00 0.00 H new ATOM 0 HA ARG X 141 -6.345 -13.061 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG X 141 -5.418 -10.183 -2.038 1.00 0.00 H new ATOM 0 HB3 ARG X 141 -5.281 -11.228 -3.439 1.00 0.00 H new ATOM 0 HG2 ARG X 141 -7.740 -11.459 -3.556 1.00 0.00 H new ATOM 0 HG3 ARG X 141 -7.927 -10.524 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG X 141 -8.418 -9.082 -3.948 1.00 0.00 H new ATOM 0 HD3 ARG X 141 -6.906 -8.551 -3.239 1.00 0.00 H new ATOM 0 HE ARG X 141 -5.778 -9.102 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG X 141 -8.998 -10.511 -5.252 1.00 0.00 H new ATOM 0 HH12 ARG X 141 -8.880 -10.957 -6.957 1.00 0.00 H new ATOM 0 HH21 ARG X 141 -5.667 -9.667 -7.340 1.00 0.00 H new ATOM 0 HH22 ARG X 141 -7.025 -10.487 -8.119 1.00 0.00 H new ATOM 531 N GLN X 142 -3.754 -13.383 -2.067 1.00 0.00 N ATOM 532 CA GLN X 142 -2.398 -13.828 -1.732 1.00 0.00 C ATOM 533 C GLN X 142 -1.407 -12.680 -1.528 1.00 0.00 C ATOM 534 O GLN X 142 -1.115 -11.919 -2.448 1.00 0.00 O ATOM 535 CB GLN X 142 -1.871 -14.745 -2.836 1.00 0.00 C ATOM 536 CG GLN X 142 -2.597 -16.082 -2.912 1.00 0.00 C ATOM 537 CD GLN X 142 -2.114 -16.924 -4.069 1.00 0.00 C ATOM 538 OE1 GLN X 142 -2.243 -16.543 -5.218 1.00 0.00 O ATOM 539 NE2 GLN X 142 -1.549 -18.065 -3.770 1.00 0.00 N ATOM 0 H GLN X 142 -4.082 -13.675 -2.988 1.00 0.00 H new ATOM 0 HA GLN X 142 -2.476 -14.356 -0.782 1.00 0.00 H new ATOM 0 HB2 GLN X 142 -1.963 -14.236 -3.795 1.00 0.00 H new ATOM 0 HB3 GLN X 142 -0.809 -14.926 -2.671 1.00 0.00 H new ATOM 0 HG2 GLN X 142 -2.450 -16.628 -1.980 1.00 0.00 H new ATOM 0 HG3 GLN X 142 -3.668 -15.907 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN X 142 -1.459 -18.350 -2.795 1.00 0.00 H new ATOM 0 HE22 GLN X 142 -1.198 -18.670 -4.512 1.00 0.00 H new ATOM 548 N ALA X 143 -0.901 -12.564 -0.309 1.00 0.00 N ATOM 549 CA ALA X 143 0.067 -11.531 0.035 1.00 0.00 C ATOM 550 C ALA X 143 1.490 -12.026 -0.157 1.00 0.00 C ATOM 551 O ALA X 143 1.831 -13.142 0.239 1.00 0.00 O ATOM 552 CB ALA X 143 -0.129 -11.079 1.406 1.00 0.00 C ATOM 0 H ALA X 143 -1.148 -13.179 0.466 1.00 0.00 H new ATOM 0 HA ALA X 143 -0.093 -10.688 -0.638 1.00 0.00 H new ATOM 0 HB1 ALA X 143 0.604 -10.308 1.643 1.00 0.00 H new ATOM 0 HB2 ALA X 143 -1.134 -10.671 1.514 1.00 0.00 H new ATOM 0 HB3 ALA X 143 -0.004 -11.920 2.088 1.00 0.00 H new ATOM 558 N LEU X 144 2.310 -11.203 -0.778 1.00 0.00 N ATOM 559 CA LEU X 144 3.691 -11.563 -1.049 1.00 0.00 C ATOM 560 C LEU X 144 4.647 -10.723 -0.208 1.00 0.00 C ATOM 561 O LEU X 144 4.492 -9.510 -0.125 1.00 0.00 O ATOM 562 CB LEU X 144 3.939 -11.417 -2.524 1.00 0.00 C ATOM 563 CG LEU X 144 3.031 -12.290 -3.390 1.00 0.00 C ATOM 564 CD1 LEU X 144 1.966 -11.477 -4.089 1.00 0.00 C ATOM 565 CD2 LEU X 144 3.893 -12.978 -4.397 1.00 0.00 C ATOM 0 H LEU X 144 2.044 -10.275 -1.107 1.00 0.00 H new ATOM 0 HA LEU X 144 3.875 -12.600 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU X 144 3.800 -10.373 -2.805 1.00 0.00 H new ATOM 0 HB3 LEU X 144 4.978 -11.668 -2.735 1.00 0.00 H new ATOM 0 HG LEU X 144 2.513 -13.010 -2.757 1.00 0.00 H new ATOM 0 HD11 LEU X 144 1.343 -12.136 -4.694 1.00 0.00 H new ATOM 0 HD12 LEU X 144 1.347 -10.973 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU X 144 2.439 -10.734 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU X 144 3.275 -13.611 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU X 144 4.401 -12.234 -5.010 1.00 0.00 H new ATOM 0 HD23 LEU X 144 4.633 -13.592 -3.884 1.00 0.00 H new ATOM 577 N ARG X 145 5.614 -11.365 0.441 1.00 0.00 N ATOM 578 CA ARG X 145 6.532 -10.661 1.345 1.00 0.00 C ATOM 579 C ARG X 145 7.958 -10.499 0.931 1.00 0.00 C ATOM 580 O ARG X 145 8.708 -11.466 0.943 1.00 0.00 O ATOM 581 CB ARG X 145 6.559 -11.374 2.713 1.00 0.00 C ATOM 582 CG ARG X 145 7.507 -10.673 3.737 1.00 0.00 C ATOM 583 CD ARG X 145 7.497 -11.244 5.166 1.00 0.00 C ATOM 584 NE ARG X 145 6.259 -10.978 5.906 1.00 0.00 N ATOM 585 CZ ARG X 145 5.999 -9.837 6.534 1.00 0.00 C ATOM 586 NH1 ARG X 145 6.851 -8.851 6.516 1.00 0.00 N ATOM 587 NH2 ARG X 145 4.881 -9.677 7.180 1.00 0.00 N ATOM 0 H ARG X 145 5.786 -12.367 0.362 1.00 0.00 H new ATOM 0 HA ARG X 145 6.113 -9.655 1.353 1.00 0.00 H new ATOM 0 HB2 ARG X 145 5.549 -11.406 3.122 1.00 0.00 H new ATOM 0 HB3 ARG X 145 6.880 -12.406 2.574 1.00 0.00 H new ATOM 0 HG2 ARG X 145 8.526 -10.725 3.353 1.00 0.00 H new ATOM 0 HG3 ARG X 145 7.239 -9.618 3.787 1.00 0.00 H new ATOM 0 HD2 ARG X 145 7.654 -12.321 5.117 1.00 0.00 H new ATOM 0 HD3 ARG X 145 8.337 -10.824 5.720 1.00 0.00 H new ATOM 0 HE ARG X 145 5.554 -11.715 5.940 1.00 0.00 H new ATOM 0 HH11 ARG X 145 7.734 -8.949 6.014 1.00 0.00 H new ATOM 0 HH12 ARG X 145 6.635 -7.982 7.004 1.00 0.00 H new ATOM 0 HH21 ARG X 145 4.195 -10.432 7.207 1.00 0.00 H new ATOM 0 HH22 ARG X 145 4.690 -8.797 7.659 1.00 0.00 H new ATOM 601 N CYS X 146 8.389 -9.303 0.584 1.00 0.00 N ATOM 602 CA CYS X 146 9.796 -9.182 0.258 1.00 0.00 C ATOM 603 C CYS X 146 10.523 -9.044 1.599 1.00 0.00 C ATOM 604 O CYS X 146 10.757 -7.948 2.109 1.00 0.00 O ATOM 605 CB CYS X 146 10.100 -8.066 -0.700 1.00 0.00 C ATOM 606 SG CYS X 146 11.903 -7.900 -0.886 1.00 0.00 S ATOM 0 H CYS X 146 7.830 -8.452 0.522 1.00 0.00 H new ATOM 0 HA CYS X 146 10.141 -10.062 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS X 146 9.641 -8.268 -1.668 1.00 0.00 H new ATOM 0 HB3 CYS X 146 9.674 -7.132 -0.334 1.00 0.00 H new ATOM 611 N ALA X 147 10.828 -10.191 2.177 1.00 0.00 N ATOM 612 CA ALA X 147 11.487 -10.282 3.474 1.00 0.00 C ATOM 613 C ALA X 147 12.849 -9.600 3.481 1.00 0.00 C ATOM 614 O ALA X 147 13.400 -9.317 4.532 1.00 0.00 O ATOM 615 CB ALA X 147 11.633 -11.746 3.863 1.00 0.00 C ATOM 0 H ALA X 147 10.624 -11.098 1.757 1.00 0.00 H new ATOM 0 HA ALA X 147 10.865 -9.760 4.201 1.00 0.00 H new ATOM 0 HB1 ALA X 147 12.126 -11.817 4.833 1.00 0.00 H new ATOM 0 HB2 ALA X 147 10.647 -12.207 3.922 1.00 0.00 H new ATOM 0 HB3 ALA X 147 12.231 -12.264 3.113 1.00 0.00 H new ATOM 621 N ASN X 148 13.398 -9.370 2.299 1.00 0.00 N ATOM 622 CA ASN X 148 14.701 -8.719 2.174 1.00 0.00 C ATOM 623 C ASN X 148 14.759 -7.290 2.647 1.00 0.00 C ATOM 624 O ASN X 148 15.823 -6.818 3.017 1.00 0.00 O ATOM 625 CB ASN X 148 15.242 -8.807 0.742 1.00 0.00 C ATOM 626 CG ASN X 148 15.660 -10.211 0.355 1.00 0.00 C ATOM 627 OD1 ASN X 148 16.256 -10.441 -0.683 1.00 0.00 O ATOM 628 ND2 ASN X 148 15.332 -11.161 1.183 1.00 0.00 N ATOM 0 H ASN X 148 12.965 -9.623 1.411 1.00 0.00 H new ATOM 0 HA ASN X 148 15.337 -9.286 2.854 1.00 0.00 H new ATOM 0 HB2 ASN X 148 14.478 -8.457 0.048 1.00 0.00 H new ATOM 0 HB3 ASN X 148 16.096 -8.138 0.640 1.00 0.00 H new ATOM 0 HD21 ASN X 148 15.574 -12.129 0.970 1.00 0.00 H new ATOM 0 HD22 ASN X 148 14.833 -10.937 2.044 1.00 0.00 H new ATOM 635 N CYS X 149 13.630 -6.607 2.653 1.00 0.00 N ATOM 636 CA CYS X 149 13.634 -5.229 3.072 1.00 0.00 C ATOM 637 C CYS X 149 12.296 -4.731 3.604 1.00 0.00 C ATOM 638 O CYS X 149 12.200 -4.115 4.665 1.00 0.00 O ATOM 639 CB CYS X 149 14.065 -4.399 1.841 1.00 0.00 C ATOM 640 SG CYS X 149 13.018 -4.589 0.365 1.00 0.00 S ATOM 0 H CYS X 149 12.720 -6.978 2.378 1.00 0.00 H new ATOM 0 HA CYS X 149 14.320 -5.123 3.913 1.00 0.00 H new ATOM 0 HB2 CYS X 149 14.080 -3.346 2.122 1.00 0.00 H new ATOM 0 HB3 CYS X 149 15.087 -4.674 1.579 1.00 0.00 H new ATOM 645 N LYS X 150 11.268 -4.977 2.817 1.00 0.00 N ATOM 646 CA LYS X 150 9.926 -4.509 3.126 1.00 0.00 C ATOM 647 C LYS X 150 8.922 -5.402 3.870 1.00 0.00 C ATOM 648 O LYS X 150 9.154 -5.799 5.003 1.00 0.00 O ATOM 649 CB LYS X 150 9.352 -3.877 1.857 1.00 0.00 C ATOM 650 CG LYS X 150 10.123 -2.620 1.502 1.00 0.00 C ATOM 651 CD LYS X 150 9.602 -2.041 0.247 1.00 0.00 C ATOM 652 CE LYS X 150 10.246 -0.680 -0.045 1.00 0.00 C ATOM 653 NZ LYS X 150 11.733 -0.756 -0.223 1.00 0.00 N ATOM 0 H LYS X 150 11.336 -5.505 1.947 1.00 0.00 H new ATOM 0 HA LYS X 150 10.081 -3.797 3.937 1.00 0.00 H new ATOM 0 HB2 LYS X 150 9.403 -4.588 1.033 1.00 0.00 H new ATOM 0 HB3 LYS X 150 8.299 -3.637 2.006 1.00 0.00 H new ATOM 0 HG2 LYS X 150 10.039 -1.893 2.309 1.00 0.00 H new ATOM 0 HG3 LYS X 150 11.182 -2.853 1.392 1.00 0.00 H new ATOM 0 HD2 LYS X 150 9.797 -2.724 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS X 150 8.520 -1.927 0.318 1.00 0.00 H new ATOM 0 HE2 LYS X 150 9.800 -0.260 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS X 150 10.019 0.005 0.772 1.00 0.00 H new ATOM 0 HZ1 LYS X 150 12.089 0.159 -0.566 1.00 0.00 H new ATOM 0 HZ2 LYS X 150 12.181 -0.982 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS X 150 11.962 -1.498 -0.915 1.00 0.00 H new ATOM 667 N PHE X 151 7.774 -5.653 3.259 1.00 0.00 N ATOM 668 CA PHE X 151 6.693 -6.392 3.897 1.00 0.00 C ATOM 669 C PHE X 151 5.872 -7.365 3.070 1.00 0.00 C ATOM 670 O PHE X 151 6.135 -7.547 1.887 1.00 0.00 O ATOM 671 CB PHE X 151 5.732 -5.301 4.316 1.00 0.00 C ATOM 672 CG PHE X 151 5.730 -4.102 3.412 1.00 0.00 C ATOM 673 CD1 PHE X 151 5.209 -4.176 2.131 1.00 0.00 C ATOM 674 CD2 PHE X 151 6.230 -2.891 3.861 1.00 0.00 C ATOM 675 CE1 PHE X 151 5.201 -3.067 1.313 1.00 0.00 C ATOM 676 CE2 PHE X 151 6.221 -1.783 3.046 1.00 0.00 C ATOM 677 CZ PHE X 151 5.704 -1.866 1.777 1.00 0.00 C ATOM 0 H PHE X 151 7.565 -5.351 2.308 1.00 0.00 H new ATOM 0 HA PHE X 151 7.159 -7.022 4.655 1.00 0.00 H new ATOM 0 HB2 PHE X 151 4.724 -5.715 4.354 1.00 0.00 H new ATOM 0 HB3 PHE X 151 5.983 -4.980 5.327 1.00 0.00 H new ATOM 0 HD1 PHE X 151 4.806 -5.111 1.770 1.00 0.00 H new ATOM 0 HD2 PHE X 151 6.631 -2.816 4.861 1.00 0.00 H new ATOM 0 HE1 PHE X 151 4.803 -3.136 0.312 1.00 0.00 H new ATOM 0 HE2 PHE X 151 6.621 -0.846 3.405 1.00 0.00 H new ATOM 0 HZ PHE X 151 5.690 -0.993 1.141 1.00 0.00 H new ATOM 687 N THR X 152 4.838 -7.933 3.700 1.00 0.00 N ATOM 688 CA THR X 152 3.913 -8.840 3.029 1.00 0.00 C ATOM 689 C THR X 152 2.753 -7.983 2.557 1.00 0.00 C ATOM 690 O THR X 152 1.905 -7.564 3.311 1.00 0.00 O ATOM 691 CB THR X 152 3.440 -10.049 3.914 1.00 0.00 C ATOM 692 OG1 THR X 152 2.687 -10.949 3.107 1.00 0.00 O ATOM 693 CG2 THR X 152 2.563 -9.662 5.082 1.00 0.00 C ATOM 0 H THR X 152 4.623 -7.775 4.685 1.00 0.00 H new ATOM 0 HA THR X 152 4.418 -9.328 2.195 1.00 0.00 H new ATOM 0 HB THR X 152 4.351 -10.493 4.316 1.00 0.00 H new ATOM 0 HG1 THR X 152 3.027 -11.860 3.228 1.00 0.00 H new ATOM 0 HG21 THR X 152 2.283 -10.556 5.638 1.00 0.00 H new ATOM 0 HG22 THR X 152 3.109 -8.983 5.737 1.00 0.00 H new ATOM 0 HG23 THR X 152 1.664 -9.167 4.714 1.00 0.00 H new ATOM 701 N CYS X 153 2.771 -7.640 1.293 1.00 0.00 N ATOM 702 CA CYS X 153 1.743 -6.788 0.742 1.00 0.00 C ATOM 703 C CYS X 153 0.747 -7.560 -0.124 1.00 0.00 C ATOM 704 O CYS X 153 1.095 -8.617 -0.651 1.00 0.00 O ATOM 705 CB CYS X 153 2.446 -5.745 -0.108 1.00 0.00 C ATOM 706 SG CYS X 153 3.424 -6.465 -1.409 1.00 0.00 S ATOM 0 H CYS X 153 3.484 -7.936 0.626 1.00 0.00 H new ATOM 0 HA CYS X 153 1.171 -6.342 1.556 1.00 0.00 H new ATOM 0 HB2 CYS X 153 1.703 -5.077 -0.544 1.00 0.00 H new ATOM 0 HB3 CYS X 153 3.088 -5.136 0.529 1.00 0.00 H new ATOM 0 HG CYS X 153 2.969 -7.650 -1.689 1.00 0.00 H new ATOM 712 N HIS X 154 -0.464 -7.035 -0.308 1.00 0.00 N ATOM 713 CA HIS X 154 -1.444 -7.711 -1.200 1.00 0.00 C ATOM 714 C HIS X 154 -0.762 -7.844 -2.563 1.00 0.00 C ATOM 715 O HIS X 154 0.132 -7.069 -2.886 1.00 0.00 O ATOM 716 CB HIS X 154 -2.744 -6.915 -1.500 1.00 0.00 C ATOM 717 CG HIS X 154 -3.611 -6.624 -0.312 1.00 0.00 C ATOM 718 ND1 HIS X 154 -3.388 -5.565 0.570 1.00 0.00 N ATOM 719 CD2 HIS X 154 -4.735 -7.286 0.127 1.00 0.00 C ATOM 720 CE1 HIS X 154 -4.380 -5.652 1.510 1.00 0.00 C ATOM 721 NE2 HIS X 154 -5.186 -6.668 1.254 1.00 0.00 N ATOM 0 H HIS X 154 -0.796 -6.174 0.126 1.00 0.00 H new ATOM 0 HA HIS X 154 -1.725 -8.634 -0.692 1.00 0.00 H new ATOM 0 HB2 HIS X 154 -2.470 -5.970 -1.969 1.00 0.00 H new ATOM 0 HB3 HIS X 154 -3.331 -7.474 -2.229 1.00 0.00 H new ATOM 0 HD2 HIS X 154 -5.183 -8.149 -0.342 1.00 0.00 H new ATOM 0 HE1 HIS X 154 -4.489 -4.980 2.349 1.00 0.00 H new ATOM 0 HE2 HIS X 154 -6.001 -6.941 1.803 1.00 0.00 H new ATOM 729 N SER X 155 -1.193 -8.786 -3.385 1.00 0.00 N ATOM 730 CA SER X 155 -0.599 -8.936 -4.708 1.00 0.00 C ATOM 731 C SER X 155 -0.656 -7.606 -5.472 1.00 0.00 C ATOM 732 O SER X 155 0.342 -7.150 -6.018 1.00 0.00 O ATOM 733 CB SER X 155 -1.286 -10.084 -5.458 1.00 0.00 C ATOM 734 OG SER X 155 -2.694 -9.909 -5.520 1.00 0.00 O ATOM 0 H SER X 155 -1.938 -9.448 -3.168 1.00 0.00 H new ATOM 0 HA SER X 155 0.455 -9.197 -4.614 1.00 0.00 H new ATOM 0 HB2 SER X 155 -0.884 -10.149 -6.469 1.00 0.00 H new ATOM 0 HB3 SER X 155 -1.059 -11.028 -4.963 1.00 0.00 H new ATOM 0 HG SER X 155 -2.922 -9.369 -6.305 1.00 0.00 H new ATOM 740 N GLU X 156 -1.808 -6.961 -5.478 1.00 0.00 N ATOM 741 CA GLU X 156 -1.957 -5.671 -6.153 1.00 0.00 C ATOM 742 C GLU X 156 -0.990 -4.637 -5.580 1.00 0.00 C ATOM 743 O GLU X 156 -0.427 -3.822 -6.309 1.00 0.00 O ATOM 744 CB GLU X 156 -3.389 -5.160 -5.994 1.00 0.00 C ATOM 745 CG GLU X 156 -4.410 -5.983 -6.762 1.00 0.00 C ATOM 746 CD GLU X 156 -4.555 -7.393 -6.218 1.00 0.00 C ATOM 747 OE1 GLU X 156 -4.621 -7.548 -4.980 1.00 0.00 O ATOM 748 OE2 GLU X 156 -4.470 -8.335 -7.035 1.00 0.00 O ATOM 0 H GLU X 156 -2.656 -7.303 -5.026 1.00 0.00 H new ATOM 0 HA GLU X 156 -1.730 -5.817 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU X 156 -3.653 -5.162 -4.936 1.00 0.00 H new ATOM 0 HB3 GLU X 156 -3.438 -4.125 -6.333 1.00 0.00 H new ATOM 0 HG2 GLU X 156 -5.377 -5.482 -6.724 1.00 0.00 H new ATOM 0 HG3 GLU X 156 -4.117 -6.031 -7.811 1.00 0.00 H new ATOM 755 N CYS X 157 -0.785 -4.693 -4.274 1.00 0.00 N ATOM 756 CA CYS X 157 0.113 -3.784 -3.597 1.00 0.00 C ATOM 757 C CYS X 157 1.582 -3.913 -4.054 1.00 0.00 C ATOM 758 O CYS X 157 2.293 -2.910 -4.077 1.00 0.00 O ATOM 759 CB CYS X 157 -0.014 -3.972 -2.077 1.00 0.00 C ATOM 760 SG CYS X 157 -1.621 -3.534 -1.407 1.00 0.00 S ATOM 0 H CYS X 157 -1.237 -5.369 -3.659 1.00 0.00 H new ATOM 0 HA CYS X 157 -0.188 -2.772 -3.870 1.00 0.00 H new ATOM 0 HB2 CYS X 157 0.196 -5.013 -1.833 1.00 0.00 H new ATOM 0 HB3 CYS X 157 0.748 -3.369 -1.584 1.00 0.00 H new ATOM 765 N ARG X 158 2.071 -5.111 -4.394 1.00 0.00 N ATOM 766 CA ARG X 158 3.493 -5.199 -4.813 1.00 0.00 C ATOM 767 C ARG X 158 3.771 -4.397 -6.070 1.00 0.00 C ATOM 768 O ARG X 158 4.879 -3.923 -6.279 1.00 0.00 O ATOM 769 CB ARG X 158 4.076 -6.622 -4.921 1.00 0.00 C ATOM 770 CG ARG X 158 3.499 -7.578 -5.916 1.00 0.00 C ATOM 771 CD ARG X 158 4.343 -8.851 -5.888 1.00 0.00 C ATOM 772 NE ARG X 158 3.883 -9.868 -6.835 1.00 0.00 N ATOM 773 CZ ARG X 158 4.228 -9.905 -8.110 1.00 0.00 C ATOM 774 NH1 ARG X 158 5.020 -8.994 -8.609 1.00 0.00 N ATOM 775 NH2 ARG X 158 3.779 -10.857 -8.882 1.00 0.00 N ATOM 0 H ARG X 158 1.550 -5.988 -4.393 1.00 0.00 H new ATOM 0 HA ARG X 158 4.029 -4.746 -3.979 1.00 0.00 H new ATOM 0 HB2 ARG X 158 5.139 -6.524 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG X 158 3.994 -7.085 -3.937 1.00 0.00 H new ATOM 0 HG2 ARG X 158 2.461 -7.803 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG X 158 3.503 -7.139 -6.914 1.00 0.00 H new ATOM 0 HD2 ARG X 158 5.379 -8.597 -6.112 1.00 0.00 H new ATOM 0 HD3 ARG X 158 4.327 -9.268 -4.881 1.00 0.00 H new ATOM 0 HE ARG X 158 3.256 -10.594 -6.489 1.00 0.00 H new ATOM 0 HH11 ARG X 158 5.377 -8.247 -8.013 1.00 0.00 H new ATOM 0 HH12 ARG X 158 5.282 -9.030 -9.594 1.00 0.00 H new ATOM 0 HH21 ARG X 158 3.161 -11.574 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG X 158 4.046 -10.884 -9.866 1.00 0.00 H new ATOM 789 N SER X 159 2.754 -4.245 -6.903 1.00 0.00 N ATOM 790 CA SER X 159 2.869 -3.481 -8.148 1.00 0.00 C ATOM 791 C SER X 159 3.328 -2.051 -7.856 1.00 0.00 C ATOM 792 O SER X 159 4.123 -1.469 -8.591 1.00 0.00 O ATOM 793 CB SER X 159 1.522 -3.442 -8.871 1.00 0.00 C ATOM 794 OG SER X 159 1.604 -2.674 -10.058 1.00 0.00 O ATOM 0 H SER X 159 1.828 -4.643 -6.742 1.00 0.00 H new ATOM 0 HA SER X 159 3.606 -3.972 -8.783 1.00 0.00 H new ATOM 0 HB2 SER X 159 1.205 -4.457 -9.112 1.00 0.00 H new ATOM 0 HB3 SER X 159 0.764 -3.019 -8.212 1.00 0.00 H new ATOM 0 HG SER X 159 0.731 -2.665 -10.503 1.00 0.00 H new ATOM 800 N LEU X 160 2.801 -1.491 -6.772 1.00 0.00 N ATOM 801 CA LEU X 160 3.113 -0.123 -6.353 1.00 0.00 C ATOM 802 C LEU X 160 4.575 0.126 -5.963 1.00 0.00 C ATOM 803 O LEU X 160 4.958 1.264 -5.719 1.00 0.00 O ATOM 804 CB LEU X 160 2.237 0.234 -5.144 1.00 0.00 C ATOM 805 CG LEU X 160 0.719 0.123 -5.335 1.00 0.00 C ATOM 806 CD1 LEU X 160 0.038 0.588 -4.073 1.00 0.00 C ATOM 807 CD2 LEU X 160 0.236 0.961 -6.502 1.00 0.00 C ATOM 0 H LEU X 160 2.144 -1.971 -6.156 1.00 0.00 H new ATOM 0 HA LEU X 160 2.917 0.500 -7.226 1.00 0.00 H new ATOM 0 HB2 LEU X 160 2.523 -0.412 -4.314 1.00 0.00 H new ATOM 0 HB3 LEU X 160 2.468 1.257 -4.847 1.00 0.00 H new ATOM 0 HG LEU X 160 0.475 -0.918 -5.549 1.00 0.00 H new ATOM 0 HD11 LEU X 160 -1.043 0.515 -4.194 1.00 0.00 H new ATOM 0 HD12 LEU X 160 0.353 -0.038 -3.238 1.00 0.00 H new ATOM 0 HD13 LEU X 160 0.311 1.624 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU X 160 -0.844 0.855 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU X 160 0.483 2.008 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU X 160 0.721 0.624 -7.418 1.00 0.00 H new ATOM 819 N ILE X 161 5.399 -0.915 -5.912 1.00 0.00 N ATOM 820 CA ILE X 161 6.809 -0.730 -5.549 1.00 0.00 C ATOM 821 C ILE X 161 7.673 -1.385 -6.621 1.00 0.00 C ATOM 822 O ILE X 161 7.871 -2.599 -6.650 1.00 0.00 O ATOM 823 CB ILE X 161 7.108 -1.353 -4.165 1.00 0.00 C ATOM 824 CG1 ILE X 161 6.151 -0.750 -3.120 1.00 0.00 C ATOM 825 CG2 ILE X 161 8.565 -1.042 -3.773 1.00 0.00 C ATOM 826 CD1 ILE X 161 6.412 -1.174 -1.700 1.00 0.00 C ATOM 0 H ILE X 161 5.128 -1.878 -6.112 1.00 0.00 H new ATOM 0 HA ILE X 161 7.032 0.335 -5.487 1.00 0.00 H new ATOM 0 HB ILE X 161 6.966 -2.433 -4.207 1.00 0.00 H new ATOM 0 HG12 ILE X 161 6.214 0.337 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE X 161 5.130 -1.025 -3.383 1.00 0.00 H new ATOM 0 HG21 ILE X 161 8.781 -1.479 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE X 161 9.240 -1.464 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE X 161 8.707 0.038 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE X 161 5.688 -0.698 -1.039 1.00 0.00 H new ATOM 0 HD12 ILE X 161 6.318 -2.257 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE X 161 7.419 -0.875 -1.410 1.00 0.00 H new ATOM 838 N GLN X 162 8.198 -0.555 -7.509 1.00 0.00 N ATOM 839 CA GLN X 162 9.023 -1.033 -8.613 1.00 0.00 C ATOM 840 C GLN X 162 10.503 -1.302 -8.325 1.00 0.00 C ATOM 841 O GLN X 162 11.347 -0.428 -8.472 1.00 0.00 O ATOM 842 CB GLN X 162 8.890 -0.079 -9.800 1.00 0.00 C ATOM 843 CG GLN X 162 7.481 -0.089 -10.403 1.00 0.00 C ATOM 844 CD GLN X 162 7.157 -1.406 -11.083 1.00 0.00 C ATOM 845 OE1 GLN X 162 7.929 -1.910 -11.882 1.00 0.00 O ATOM 846 NE2 GLN X 162 6.029 -1.977 -10.750 1.00 0.00 N ATOM 0 H GLN X 162 8.068 0.456 -7.488 1.00 0.00 H new ATOM 0 HA GLN X 162 8.622 -2.024 -8.828 1.00 0.00 H new ATOM 0 HB2 GLN X 162 9.138 0.933 -9.479 1.00 0.00 H new ATOM 0 HB3 GLN X 162 9.613 -0.356 -10.568 1.00 0.00 H new ATOM 0 HG2 GLN X 162 6.750 0.101 -9.617 1.00 0.00 H new ATOM 0 HG3 GLN X 162 7.391 0.722 -11.125 1.00 0.00 H new ATOM 0 HE21 GLN X 162 5.408 -1.526 -10.078 1.00 0.00 H new ATOM 0 HE22 GLN X 162 5.770 -2.873 -11.162 1.00 0.00 H new ATOM 855 N LEU X 163 10.780 -2.539 -7.928 1.00 0.00 N ATOM 856 CA LEU X 163 12.137 -3.064 -7.661 1.00 0.00 C ATOM 857 C LEU X 163 13.004 -2.395 -6.572 1.00 0.00 C ATOM 858 O LEU X 163 14.196 -2.656 -6.513 1.00 0.00 O ATOM 859 CB LEU X 163 12.934 -3.065 -8.988 1.00 0.00 C ATOM 860 CG LEU X 163 12.413 -3.965 -10.115 1.00 0.00 C ATOM 861 CD1 LEU X 163 13.360 -3.862 -11.286 1.00 0.00 C ATOM 862 CD2 LEU X 163 12.326 -5.416 -9.695 1.00 0.00 C ATOM 0 H LEU X 163 10.051 -3.236 -7.775 1.00 0.00 H new ATOM 0 HA LEU X 163 11.938 -4.051 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU X 163 12.970 -2.042 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU X 163 13.960 -3.360 -8.766 1.00 0.00 H new ATOM 0 HG LEU X 163 11.409 -3.630 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU X 163 13.005 -4.496 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU X 163 13.406 -2.828 -11.627 1.00 0.00 H new ATOM 0 HD13 LEU X 163 14.354 -4.187 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU X 163 11.952 -6.014 -10.526 1.00 0.00 H new ATOM 0 HD22 LEU X 163 13.316 -5.772 -9.409 1.00 0.00 H new ATOM 0 HD23 LEU X 163 11.647 -5.509 -8.847 1.00 0.00 H new ATOM 874 N ASP X 164 12.440 -1.562 -5.708 1.00 0.00 N ATOM 875 CA ASP X 164 13.251 -0.926 -4.646 1.00 0.00 C ATOM 876 C ASP X 164 13.547 -1.937 -3.518 1.00 0.00 C ATOM 877 O ASP X 164 12.948 -1.864 -2.448 1.00 0.00 O ATOM 878 CB ASP X 164 12.468 0.269 -4.073 1.00 0.00 C ATOM 879 CG ASP X 164 13.151 0.913 -2.862 1.00 0.00 C ATOM 880 OD1 ASP X 164 14.383 0.772 -2.719 1.00 0.00 O ATOM 881 OD2 ASP X 164 12.392 1.354 -1.967 1.00 0.00 O ATOM 0 H ASP X 164 11.452 -1.307 -5.708 1.00 0.00 H new ATOM 0 HA ASP X 164 14.198 -0.588 -5.068 1.00 0.00 H new ATOM 0 HB2 ASP X 164 12.342 1.020 -4.853 1.00 0.00 H new ATOM 0 HB3 ASP X 164 11.470 -0.063 -3.786 1.00 0.00 H new ATOM 886 N CYS X 165 14.481 -2.852 -3.737 1.00 0.00 N ATOM 887 CA CYS X 165 14.838 -3.863 -2.754 1.00 0.00 C ATOM 888 C CYS X 165 16.325 -3.706 -2.395 1.00 0.00 C ATOM 889 O CYS X 165 17.216 -4.047 -3.172 1.00 0.00 O ATOM 890 CB CYS X 165 14.546 -5.241 -3.360 1.00 0.00 C ATOM 891 SG CYS X 165 14.827 -6.662 -2.298 1.00 0.00 S ATOM 0 H CYS X 165 15.014 -2.913 -4.605 1.00 0.00 H new ATOM 0 HA CYS X 165 14.257 -3.752 -1.838 1.00 0.00 H new ATOM 0 HB2 CYS X 165 13.505 -5.258 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS X 165 15.159 -5.357 -4.254 1.00 0.00 H new ATOM 896 N ARG X 166 16.557 -3.140 -1.222 1.00 0.00 N ATOM 897 CA ARG X 166 17.903 -2.889 -0.713 1.00 0.00 C ATOM 898 C ARG X 166 18.315 -3.966 0.287 1.00 0.00 C ATOM 899 O ARG X 166 17.461 -4.860 0.431 1.00 0.00 O ATOM 900 CB ARG X 166 17.957 -1.486 -0.079 1.00 0.00 C ATOM 901 CG ARG X 166 17.106 -1.270 1.202 1.00 0.00 C ATOM 902 CD ARG X 166 15.597 -1.115 0.938 1.00 0.00 C ATOM 903 NE ARG X 166 15.288 0.036 0.083 1.00 0.00 N ATOM 904 CZ ARG X 166 15.173 1.276 0.513 1.00 0.00 C ATOM 905 NH1 ARG X 166 15.342 1.564 1.775 1.00 0.00 N ATOM 906 NH2 ARG X 166 14.886 2.221 -0.329 1.00 0.00 N ATOM 907 OXT ARG X 166 19.158 -3.622 1.142 1.00 0.00 O ATOM 0 H ARG X 166 15.815 -2.839 -0.590 1.00 0.00 H new ATOM 0 HA ARG X 166 18.612 -2.927 -1.540 1.00 0.00 H new ATOM 0 HB2 ARG X 166 18.996 -1.260 0.160 1.00 0.00 H new ATOM 0 HB3 ARG X 166 17.637 -0.761 -0.827 1.00 0.00 H new ATOM 0 HG2 ARG X 166 17.261 -2.114 1.874 1.00 0.00 H new ATOM 0 HG3 ARG X 166 17.466 -0.380 1.719 1.00 0.00 H new ATOM 0 HD2 ARG X 166 15.219 -2.023 0.468 1.00 0.00 H new ATOM 0 HD3 ARG X 166 15.075 -1.007 1.889 1.00 0.00 H new ATOM 0 HE ARG X 166 15.153 -0.135 -0.913 1.00 0.00 H new ATOM 0 HH11 ARG X 166 15.566 0.825 2.441 1.00 0.00 H new ATOM 0 HH12 ARG X 166 15.250 2.528 2.095 1.00 0.00 H new ATOM 0 HH21 ARG X 166 14.751 2.001 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG X 166 14.795 3.184 -0.004 1.00 0.00 H new TER 921 ARG X 166 HETATM 922 ZN ZN X 1 -2.054 -3.817 0.680 1.00 0.00 ZN HETATM 923 ZN ZN X 2 13.117 -6.030 -1.246 1.00 0.00 ZN