USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 139 HIS HD1 : A 139 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD NoAdj-H: A 173 HIS HD1 : A 173 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 140 ASN : amide:sc= -0.0435 X(o=-0.043,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -135:sc= -0.204 (180deg=-1.05) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.6!) USER MOD Single : A 166 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.2) USER MOD Single : A 167 THR OG1 : rot 61:sc= 1.28 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 165:sc= 0.106 (180deg=0.0646) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 177 SER OG : rot -100:sc= 0.664 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 182 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 183 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 -5.584 -16.454 -2.569 1.00 0.00 N ATOM 2 CA LEU A 136 -6.611 -16.089 -1.551 1.00 0.00 C ATOM 3 C LEU A 136 -6.117 -14.884 -0.743 1.00 0.00 C ATOM 4 O LEU A 136 -6.725 -13.830 -0.752 1.00 0.00 O ATOM 5 CB LEU A 136 -6.844 -17.282 -0.612 1.00 0.00 C ATOM 6 CG LEU A 136 -8.202 -17.925 -0.916 1.00 0.00 C ATOM 7 CD1 LEU A 136 -8.162 -18.576 -2.300 1.00 0.00 C ATOM 8 CD2 LEU A 136 -8.504 -18.990 0.139 1.00 0.00 C ATOM 0 HA LEU A 136 -7.547 -15.833 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.048 -18.016 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.812 -16.951 0.426 1.00 0.00 H new ATOM 0 HG LEU A 136 -8.979 -17.161 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -9.128 -19.033 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.943 -17.818 -3.052 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -7.386 -19.341 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.469 -19.450 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.726 -19.753 0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.532 -18.527 1.125 1.00 0.00 H new ATOM 22 N THR A 137 -5.022 -15.037 -0.044 1.00 0.00 N ATOM 23 CA THR A 137 -4.483 -13.908 0.773 1.00 0.00 C ATOM 24 C THR A 137 -2.966 -13.815 0.587 1.00 0.00 C ATOM 25 O THR A 137 -2.264 -14.806 0.639 1.00 0.00 O ATOM 26 CB THR A 137 -4.801 -14.154 2.250 1.00 0.00 C ATOM 27 OG1 THR A 137 -4.170 -13.158 3.043 1.00 0.00 O ATOM 28 CG2 THR A 137 -4.286 -15.536 2.661 1.00 0.00 C ATOM 0 H THR A 137 -4.476 -15.898 -0.004 1.00 0.00 H new ATOM 0 HA THR A 137 -4.944 -12.975 0.449 1.00 0.00 H new ATOM 0 HB THR A 137 -5.880 -14.109 2.401 1.00 0.00 H new ATOM 0 HG1 THR A 137 -4.375 -13.314 3.989 1.00 0.00 H new ATOM 0 HG21 THR A 137 -4.513 -15.711 3.713 1.00 0.00 H new ATOM 0 HG22 THR A 137 -4.771 -16.300 2.054 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.208 -15.582 2.510 1.00 0.00 H new ATOM 36 N THR A 138 -2.456 -12.627 0.372 1.00 0.00 N ATOM 37 CA THR A 138 -0.981 -12.457 0.184 1.00 0.00 C ATOM 38 C THR A 138 -0.653 -10.957 0.025 1.00 0.00 C ATOM 39 O THR A 138 -0.443 -10.266 1.002 1.00 0.00 O ATOM 40 CB THR A 138 -0.493 -13.274 -1.039 1.00 0.00 C ATOM 41 OG1 THR A 138 0.691 -12.688 -1.565 1.00 0.00 O ATOM 42 CG2 THR A 138 -1.566 -13.320 -2.138 1.00 0.00 C ATOM 0 H THR A 138 -2.999 -11.765 0.318 1.00 0.00 H new ATOM 0 HA THR A 138 -0.457 -12.836 1.061 1.00 0.00 H new ATOM 0 HB THR A 138 -0.291 -14.293 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 138 0.998 -13.208 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 138 -1.196 -13.900 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 138 -2.469 -13.787 -1.745 1.00 0.00 H new ATOM 0 HG23 THR A 138 -1.795 -12.306 -2.466 1.00 0.00 H new ATOM 50 N HIS A 139 -0.604 -10.446 -1.188 1.00 0.00 N ATOM 51 CA HIS A 139 -0.285 -8.993 -1.390 1.00 0.00 C ATOM 52 C HIS A 139 1.124 -8.720 -0.859 1.00 0.00 C ATOM 53 O HIS A 139 1.819 -9.617 -0.422 1.00 0.00 O ATOM 54 CB HIS A 139 -1.303 -8.127 -0.623 1.00 0.00 C ATOM 55 CG HIS A 139 -1.994 -7.125 -1.531 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.634 -6.898 -2.888 1.00 0.00 N ATOM 57 CD2 HIS A 139 -3.051 -6.279 -1.281 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.490 -5.957 -3.342 1.00 0.00 C ATOM 59 NE2 HIS A 139 -3.353 -5.564 -2.404 1.00 0.00 N ATOM 0 H HIS A 139 -0.771 -10.973 -2.045 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.337 -8.747 -2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.050 -8.771 -0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.794 -7.597 0.182 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.566 -6.194 -0.335 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -2.477 -5.567 -4.349 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -4.092 -4.868 -2.506 1.00 0.00 H new ATOM 67 N ASN A 140 1.536 -7.488 -0.894 1.00 0.00 N ATOM 68 CA ASN A 140 2.888 -7.120 -0.398 1.00 0.00 C ATOM 69 C ASN A 140 2.883 -5.630 -0.081 1.00 0.00 C ATOM 70 O ASN A 140 2.258 -4.849 -0.775 1.00 0.00 O ATOM 71 CB ASN A 140 3.933 -7.420 -1.479 1.00 0.00 C ATOM 72 CG ASN A 140 5.188 -8.013 -0.834 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.236 -7.397 -0.837 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.127 -9.191 -0.277 1.00 0.00 N ATOM 0 H ASN A 140 0.985 -6.707 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 140 3.136 -7.695 0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.524 -8.118 -2.210 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.186 -6.506 -2.017 1.00 0.00 H new ATOM 0 HD21 ASN A 140 5.958 -9.594 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 140 4.248 -9.709 -0.274 1.00 0.00 H new ATOM 81 N PHE A 141 3.560 -5.227 0.958 1.00 0.00 N ATOM 82 CA PHE A 141 3.580 -3.783 1.312 1.00 0.00 C ATOM 83 C PHE A 141 4.941 -3.416 1.893 1.00 0.00 C ATOM 84 O PHE A 141 5.335 -3.898 2.938 1.00 0.00 O ATOM 85 CB PHE A 141 2.478 -3.490 2.333 1.00 0.00 C ATOM 86 CG PHE A 141 1.126 -3.595 1.659 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.864 -2.868 0.490 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.136 -4.426 2.199 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.380 -2.973 -0.135 1.00 0.00 C ATOM 90 CE2 PHE A 141 -1.112 -4.528 1.574 1.00 0.00 C ATOM 91 CZ PHE A 141 -1.370 -3.803 0.406 1.00 0.00 C ATOM 0 H PHE A 141 4.099 -5.835 1.575 1.00 0.00 H new ATOM 0 HA PHE A 141 3.404 -3.187 0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.539 -4.195 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.611 -2.493 2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.625 -2.226 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.336 -4.989 3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.579 -2.413 -1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.876 -5.166 1.993 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.332 -3.883 -0.078 1.00 0.00 H new ATOM 101 N ALA A 142 5.653 -2.556 1.220 1.00 0.00 N ATOM 102 CA ALA A 142 6.988 -2.127 1.713 1.00 0.00 C ATOM 103 C ALA A 142 6.939 -0.624 1.953 1.00 0.00 C ATOM 104 O ALA A 142 6.424 0.119 1.137 1.00 0.00 O ATOM 105 CB ALA A 142 8.054 -2.447 0.660 1.00 0.00 C ATOM 0 H ALA A 142 5.362 -2.129 0.341 1.00 0.00 H new ATOM 0 HA ALA A 142 7.239 -2.651 2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.032 -2.131 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.067 -3.520 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.823 -1.917 -0.264 1.00 0.00 H new ATOM 111 N ARG A 143 7.443 -0.173 3.068 1.00 0.00 N ATOM 112 CA ARG A 143 7.403 1.284 3.370 1.00 0.00 C ATOM 113 C ARG A 143 8.598 1.987 2.718 1.00 0.00 C ATOM 114 O ARG A 143 9.542 2.373 3.384 1.00 0.00 O ATOM 115 CB ARG A 143 7.452 1.491 4.887 1.00 0.00 C ATOM 116 CG ARG A 143 7.262 2.973 5.208 1.00 0.00 C ATOM 117 CD ARG A 143 7.922 3.293 6.549 1.00 0.00 C ATOM 118 NE ARG A 143 7.400 4.594 7.057 1.00 0.00 N ATOM 119 CZ ARG A 143 7.664 4.970 8.278 1.00 0.00 C ATOM 120 NH1 ARG A 143 8.893 4.944 8.717 1.00 0.00 N ATOM 121 NH2 ARG A 143 6.701 5.377 9.058 1.00 0.00 N ATOM 0 H ARG A 143 7.882 -0.752 3.784 1.00 0.00 H new ATOM 0 HA ARG A 143 6.481 1.707 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 143 6.673 0.901 5.370 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.407 1.143 5.281 1.00 0.00 H new ATOM 0 HG2 ARG A 143 7.700 3.586 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A 143 6.200 3.214 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 143 7.716 2.500 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.005 3.343 6.432 1.00 0.00 H new ATOM 0 HE ARG A 143 6.837 5.190 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 143 9.646 4.630 8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 143 9.100 5.238 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 143 5.741 5.401 8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 143 6.908 5.671 10.013 1.00 0.00 H new ATOM 135 N LYS A 144 8.556 2.167 1.424 1.00 0.00 N ATOM 136 CA LYS A 144 9.678 2.860 0.727 1.00 0.00 C ATOM 137 C LYS A 144 9.096 3.905 -0.223 1.00 0.00 C ATOM 138 O LYS A 144 7.905 4.161 -0.211 1.00 0.00 O ATOM 139 CB LYS A 144 10.524 1.847 -0.052 1.00 0.00 C ATOM 140 CG LYS A 144 9.658 1.093 -1.063 1.00 0.00 C ATOM 141 CD LYS A 144 10.528 0.088 -1.826 1.00 0.00 C ATOM 142 CE LYS A 144 11.570 0.836 -2.663 1.00 0.00 C ATOM 143 NZ LYS A 144 12.875 0.842 -1.942 1.00 0.00 N ATOM 0 H LYS A 144 7.792 1.864 0.820 1.00 0.00 H new ATOM 0 HA LYS A 144 10.321 3.348 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.334 2.362 -0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.985 1.141 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.848 0.574 -0.550 1.00 0.00 H new ATOM 0 HG3 LYS A 144 9.197 1.794 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 144 11.024 -0.583 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.905 -0.530 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 144 11.682 0.358 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.239 1.858 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 13.289 1.795 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 12.724 0.571 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 13.523 0.164 -2.391 1.00 0.00 H new ATOM 157 N THR A 145 9.918 4.522 -1.033 1.00 0.00 N ATOM 158 CA THR A 145 9.395 5.561 -1.968 1.00 0.00 C ATOM 159 C THR A 145 9.651 5.166 -3.415 1.00 0.00 C ATOM 160 O THR A 145 10.520 4.374 -3.721 1.00 0.00 O ATOM 161 CB THR A 145 10.051 6.914 -1.678 1.00 0.00 C ATOM 162 OG1 THR A 145 9.754 7.818 -2.733 1.00 0.00 O ATOM 163 CG2 THR A 145 11.564 6.743 -1.566 1.00 0.00 C ATOM 0 H THR A 145 10.922 4.352 -1.087 1.00 0.00 H new ATOM 0 HA THR A 145 8.319 5.643 -1.815 1.00 0.00 H new ATOM 0 HB THR A 145 9.664 7.307 -0.738 1.00 0.00 H new ATOM 0 HG1 THR A 145 10.172 8.685 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 145 12.025 7.709 -1.360 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.793 6.051 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.956 6.347 -2.503 1.00 0.00 H new ATOM 171 N PHE A 146 8.873 5.721 -4.299 1.00 0.00 N ATOM 172 CA PHE A 146 9.018 5.404 -5.752 1.00 0.00 C ATOM 173 C PHE A 146 10.081 6.315 -6.366 1.00 0.00 C ATOM 174 O PHE A 146 10.154 7.490 -6.053 1.00 0.00 O ATOM 175 CB PHE A 146 7.690 5.643 -6.498 1.00 0.00 C ATOM 176 CG PHE A 146 6.498 5.249 -5.649 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.020 3.936 -5.683 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.869 6.204 -4.841 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.911 3.578 -4.906 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.762 5.844 -4.064 1.00 0.00 C ATOM 181 CZ PHE A 146 4.283 4.531 -4.096 1.00 0.00 C ATOM 0 H PHE A 146 8.134 6.388 -4.078 1.00 0.00 H new ATOM 0 HA PHE A 146 9.304 4.356 -5.847 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.610 6.695 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.684 5.069 -7.425 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.505 3.199 -6.307 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.238 7.219 -4.817 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.540 2.564 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.278 6.580 -3.440 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.429 4.252 -3.496 1.00 0.00 H new ATOM 191 N LEU A 147 10.889 5.792 -7.255 1.00 0.00 N ATOM 192 CA LEU A 147 11.930 6.641 -7.908 1.00 0.00 C ATOM 193 C LEU A 147 11.233 7.709 -8.760 1.00 0.00 C ATOM 194 O LEU A 147 11.760 8.783 -8.982 1.00 0.00 O ATOM 195 CB LEU A 147 12.833 5.776 -8.796 1.00 0.00 C ATOM 196 CG LEU A 147 11.976 4.916 -9.738 1.00 0.00 C ATOM 197 CD1 LEU A 147 12.571 4.944 -11.148 1.00 0.00 C ATOM 198 CD2 LEU A 147 11.946 3.470 -9.232 1.00 0.00 C ATOM 0 H LEU A 147 10.872 4.817 -7.555 1.00 0.00 H new ATOM 0 HA LEU A 147 12.545 7.118 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 147 13.501 6.411 -9.377 1.00 0.00 H new ATOM 0 HB3 LEU A 147 13.461 5.136 -8.176 1.00 0.00 H new ATOM 0 HG LEU A 147 10.962 5.316 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 147 11.960 4.333 -11.813 1.00 0.00 H new ATOM 0 HD12 LEU A 147 12.591 5.970 -11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.586 4.549 -11.122 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.338 2.863 -9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 147 12.961 3.073 -9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.518 3.444 -8.230 1.00 0.00 H new ATOM 210 N LYS A 148 10.041 7.422 -9.228 1.00 0.00 N ATOM 211 CA LYS A 148 9.284 8.404 -10.052 1.00 0.00 C ATOM 212 C LYS A 148 7.962 8.712 -9.339 1.00 0.00 C ATOM 213 O LYS A 148 7.793 8.380 -8.181 1.00 0.00 O ATOM 214 CB LYS A 148 9.015 7.798 -11.435 1.00 0.00 C ATOM 215 CG LYS A 148 10.310 7.799 -12.252 1.00 0.00 C ATOM 216 CD LYS A 148 9.980 8.007 -13.732 1.00 0.00 C ATOM 217 CE LYS A 148 9.587 6.668 -14.359 1.00 0.00 C ATOM 218 NZ LYS A 148 8.939 6.910 -15.679 1.00 0.00 N ATOM 0 H LYS A 148 9.559 6.537 -9.069 1.00 0.00 H new ATOM 0 HA LYS A 148 9.854 9.324 -10.178 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.638 6.780 -11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.246 8.371 -11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.973 8.590 -11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.839 6.856 -12.116 1.00 0.00 H new ATOM 0 HD2 LYS A 148 9.165 8.723 -13.837 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.841 8.426 -14.252 1.00 0.00 H new ATOM 0 HE2 LYS A 148 10.469 6.040 -14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 148 8.905 6.132 -13.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 8.671 6.000 -16.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 8.089 7.494 -15.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 9.604 7.405 -16.307 1.00 0.00 H new ATOM 232 N LEU A 149 7.030 9.346 -10.005 1.00 0.00 N ATOM 233 CA LEU A 149 5.729 9.671 -9.347 1.00 0.00 C ATOM 234 C LEU A 149 4.822 8.435 -9.343 1.00 0.00 C ATOM 235 O LEU A 149 4.760 7.694 -10.306 1.00 0.00 O ATOM 236 CB LEU A 149 5.044 10.807 -10.111 1.00 0.00 C ATOM 237 CG LEU A 149 4.303 11.714 -9.127 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.316 12.502 -8.293 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.415 12.690 -9.904 1.00 0.00 C ATOM 0 H LEU A 149 7.114 9.652 -10.974 1.00 0.00 H new ATOM 0 HA LEU A 149 5.914 9.980 -8.318 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.784 11.384 -10.666 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.345 10.398 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 149 3.686 11.105 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.787 13.148 -7.592 1.00 0.00 H new ATOM 0 HD12 LEU A 149 5.950 11.809 -7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.934 13.111 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.886 13.337 -9.204 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.034 13.298 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 149 2.692 12.130 -10.498 1.00 0.00 H new ATOM 251 N ALA A 150 4.107 8.222 -8.266 1.00 0.00 N ATOM 252 CA ALA A 150 3.183 7.052 -8.179 1.00 0.00 C ATOM 253 C ALA A 150 1.765 7.586 -7.986 1.00 0.00 C ATOM 254 O ALA A 150 1.525 8.751 -8.220 1.00 0.00 O ATOM 255 CB ALA A 150 3.578 6.169 -6.994 1.00 0.00 C ATOM 0 H ALA A 150 4.125 8.815 -7.436 1.00 0.00 H new ATOM 0 HA ALA A 150 3.238 6.453 -9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.901 5.317 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.599 5.813 -7.130 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.515 6.748 -6.072 1.00 0.00 H new ATOM 261 N PHE A 151 0.824 6.762 -7.571 1.00 0.00 N ATOM 262 CA PHE A 151 -0.576 7.265 -7.383 1.00 0.00 C ATOM 263 C PHE A 151 -1.352 6.379 -6.404 1.00 0.00 C ATOM 264 O PHE A 151 -1.534 5.198 -6.628 1.00 0.00 O ATOM 265 CB PHE A 151 -1.300 7.258 -8.729 1.00 0.00 C ATOM 266 CG PHE A 151 -0.771 8.367 -9.606 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.250 9.673 -9.454 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.201 8.086 -10.573 1.00 0.00 C ATOM 269 CE1 PHE A 151 -0.756 10.699 -10.268 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.694 9.111 -11.387 1.00 0.00 C ATOM 271 CZ PHE A 151 0.215 10.418 -11.235 1.00 0.00 C ATOM 0 H PHE A 151 0.965 5.775 -7.357 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.525 8.276 -6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.160 6.296 -9.221 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.372 7.385 -8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.001 9.889 -8.709 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.570 7.078 -10.691 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.124 11.707 -10.150 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.444 8.894 -12.133 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.595 11.209 -11.864 1.00 0.00 H new ATOM 281 N CYS A 152 -1.825 6.952 -5.324 1.00 0.00 N ATOM 282 CA CYS A 152 -2.607 6.158 -4.324 1.00 0.00 C ATOM 283 C CYS A 152 -3.903 5.627 -4.967 1.00 0.00 C ATOM 284 O CYS A 152 -4.780 6.387 -5.340 1.00 0.00 O ATOM 285 CB CYS A 152 -2.957 7.053 -3.147 1.00 0.00 C ATOM 286 SG CYS A 152 -3.758 6.050 -1.886 1.00 0.00 S ATOM 0 H CYS A 152 -1.703 7.938 -5.091 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.008 5.313 -3.985 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.058 7.519 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.618 7.858 -3.467 1.00 0.00 H new ATOM 291 N ASP A 153 -4.030 4.325 -5.073 1.00 0.00 N ATOM 292 CA ASP A 153 -5.257 3.726 -5.702 1.00 0.00 C ATOM 293 C ASP A 153 -6.505 3.885 -4.816 1.00 0.00 C ATOM 294 O ASP A 153 -7.601 3.548 -5.225 1.00 0.00 O ATOM 295 CB ASP A 153 -5.005 2.241 -5.957 1.00 0.00 C ATOM 296 CG ASP A 153 -4.182 2.076 -7.236 1.00 0.00 C ATOM 297 OD1 ASP A 153 -3.003 2.390 -7.203 1.00 0.00 O ATOM 298 OD2 ASP A 153 -4.743 1.636 -8.227 1.00 0.00 O ATOM 0 H ASP A 153 -3.338 3.649 -4.752 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.449 4.256 -6.635 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.476 1.801 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -5.953 1.711 -6.051 1.00 0.00 H new ATOM 303 N ILE A 154 -6.360 4.383 -3.618 1.00 0.00 N ATOM 304 CA ILE A 154 -7.542 4.552 -2.714 1.00 0.00 C ATOM 305 C ILE A 154 -7.931 6.026 -2.633 1.00 0.00 C ATOM 306 O ILE A 154 -9.049 6.360 -2.284 1.00 0.00 O ATOM 307 CB ILE A 154 -7.149 4.062 -1.317 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.695 2.588 -1.436 1.00 0.00 C ATOM 309 CG2 ILE A 154 -8.317 4.212 -0.326 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.899 1.675 -1.690 1.00 0.00 C ATOM 0 H ILE A 154 -5.469 4.683 -3.221 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.387 3.983 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.332 4.668 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -5.976 2.487 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -6.186 2.283 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -8.008 3.856 0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.604 5.261 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -9.167 3.625 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.561 0.642 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -8.603 1.763 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.390 1.970 -2.617 1.00 0.00 H new ATOM 322 N CYS A 155 -7.008 6.906 -2.909 1.00 0.00 N ATOM 323 CA CYS A 155 -7.316 8.360 -2.797 1.00 0.00 C ATOM 324 C CYS A 155 -7.713 8.973 -4.152 1.00 0.00 C ATOM 325 O CYS A 155 -8.876 8.983 -4.500 1.00 0.00 O ATOM 326 CB CYS A 155 -6.101 9.061 -2.217 1.00 0.00 C ATOM 327 SG CYS A 155 -6.117 8.877 -0.427 1.00 0.00 S ATOM 0 H CYS A 155 -6.058 6.683 -3.206 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.175 8.492 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.187 8.635 -2.631 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.111 10.117 -2.487 1.00 0.00 H new ATOM 332 N GLN A 156 -6.770 9.494 -4.908 1.00 0.00 N ATOM 333 CA GLN A 156 -7.103 10.121 -6.229 1.00 0.00 C ATOM 334 C GLN A 156 -5.864 10.802 -6.833 1.00 0.00 C ATOM 335 O GLN A 156 -5.802 11.004 -8.033 1.00 0.00 O ATOM 336 CB GLN A 156 -8.212 11.180 -6.066 1.00 0.00 C ATOM 337 CG GLN A 156 -9.560 10.615 -6.535 1.00 0.00 C ATOM 338 CD GLN A 156 -10.283 11.649 -7.404 1.00 0.00 C ATOM 339 OE1 GLN A 156 -9.894 11.893 -8.530 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.326 12.273 -6.927 1.00 0.00 N ATOM 0 H GLN A 156 -5.780 9.511 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.448 9.327 -6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.281 11.486 -5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -7.962 12.070 -6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.403 9.697 -7.101 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.176 10.356 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -11.654 12.070 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -11.813 12.963 -7.499 1.00 0.00 H new ATOM 349 N LYS A 157 -4.889 11.180 -6.030 1.00 0.00 N ATOM 350 CA LYS A 157 -3.699 11.861 -6.591 1.00 0.00 C ATOM 351 C LYS A 157 -2.451 11.030 -6.308 1.00 0.00 C ATOM 352 O LYS A 157 -2.507 9.976 -5.709 1.00 0.00 O ATOM 353 CB LYS A 157 -3.560 13.241 -5.939 1.00 0.00 C ATOM 354 CG LYS A 157 -3.481 13.093 -4.409 1.00 0.00 C ATOM 355 CD LYS A 157 -4.700 13.759 -3.747 1.00 0.00 C ATOM 356 CE LYS A 157 -4.264 15.023 -2.998 1.00 0.00 C ATOM 357 NZ LYS A 157 -4.599 16.223 -3.815 1.00 0.00 N ATOM 0 H LYS A 157 -4.877 11.042 -5.019 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.814 11.974 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -2.665 13.740 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.410 13.867 -6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.443 12.037 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -2.563 13.549 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.442 14.013 -4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.175 13.062 -3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.764 15.077 -2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -3.192 14.991 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -4.304 17.082 -3.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -4.102 16.172 -4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -5.625 16.255 -3.981 1.00 0.00 H new ATOM 371 N PHE A 158 -1.332 11.508 -6.767 1.00 0.00 N ATOM 372 CA PHE A 158 -0.030 10.801 -6.590 1.00 0.00 C ATOM 373 C PHE A 158 0.144 10.212 -5.162 1.00 0.00 C ATOM 374 O PHE A 158 -0.471 10.657 -4.212 1.00 0.00 O ATOM 375 CB PHE A 158 1.088 11.829 -6.851 1.00 0.00 C ATOM 376 CG PHE A 158 1.223 12.722 -5.638 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.147 13.521 -5.240 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.389 12.685 -4.877 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.242 14.294 -4.085 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.485 13.451 -3.719 1.00 0.00 C ATOM 381 CZ PHE A 158 1.412 14.260 -3.318 1.00 0.00 C ATOM 0 H PHE A 158 -1.261 12.390 -7.275 1.00 0.00 H new ATOM 0 HA PHE A 158 0.009 9.962 -7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.030 11.319 -7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.855 12.424 -7.734 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.758 13.539 -5.828 1.00 0.00 H new ATOM 0 HD2 PHE A 158 3.217 12.063 -5.185 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.586 14.918 -3.782 1.00 0.00 H new ATOM 0 HE2 PHE A 158 3.388 13.422 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.488 14.855 -2.420 1.00 0.00 H new ATOM 391 N LEU A 159 1.040 9.268 -5.017 1.00 0.00 N ATOM 392 CA LEU A 159 1.349 8.692 -3.669 1.00 0.00 C ATOM 393 C LEU A 159 2.861 8.846 -3.463 1.00 0.00 C ATOM 394 O LEU A 159 3.644 8.530 -4.341 1.00 0.00 O ATOM 395 CB LEU A 159 0.916 7.210 -3.608 1.00 0.00 C ATOM 396 CG LEU A 159 1.519 6.432 -2.398 1.00 0.00 C ATOM 397 CD1 LEU A 159 1.775 7.315 -1.160 1.00 0.00 C ATOM 398 CD2 LEU A 159 0.547 5.331 -1.996 1.00 0.00 C ATOM 0 H LEU A 159 1.578 8.866 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 159 0.805 9.209 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -0.172 7.160 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.214 6.715 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 159 2.483 6.041 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.194 6.706 -0.359 1.00 0.00 H new ATOM 0 HD12 LEU A 159 2.476 8.108 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 159 0.835 7.756 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.954 4.777 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.408 5.774 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 159 0.398 4.653 -2.836 1.00 0.00 H new ATOM 410 N LEU A 160 3.275 9.374 -2.336 1.00 0.00 N ATOM 411 CA LEU A 160 4.722 9.600 -2.103 1.00 0.00 C ATOM 412 C LEU A 160 5.235 8.808 -0.892 1.00 0.00 C ATOM 413 O LEU A 160 4.729 8.937 0.206 1.00 0.00 O ATOM 414 CB LEU A 160 4.919 11.093 -1.856 1.00 0.00 C ATOM 415 CG LEU A 160 4.238 11.529 -0.546 1.00 0.00 C ATOM 416 CD1 LEU A 160 5.277 11.594 0.575 1.00 0.00 C ATOM 417 CD2 LEU A 160 3.606 12.911 -0.722 1.00 0.00 C ATOM 0 H LEU A 160 2.665 9.657 -1.569 1.00 0.00 H new ATOM 0 HA LEU A 160 5.284 9.260 -2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.984 11.320 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.508 11.661 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 160 3.464 10.805 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 160 4.793 11.903 1.502 1.00 0.00 H new ATOM 0 HD12 LEU A 160 5.728 10.611 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 160 6.051 12.315 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 160 3.126 13.213 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 160 4.379 13.634 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 160 2.862 12.872 -1.518 1.00 0.00 H new ATOM 429 N ASN A 161 6.262 8.014 -1.095 1.00 0.00 N ATOM 430 CA ASN A 161 6.871 7.214 0.019 1.00 0.00 C ATOM 431 C ASN A 161 5.786 6.555 0.891 1.00 0.00 C ATOM 432 O ASN A 161 5.646 6.868 2.061 1.00 0.00 O ATOM 433 CB ASN A 161 7.732 8.141 0.883 1.00 0.00 C ATOM 434 CG ASN A 161 8.595 7.302 1.829 1.00 0.00 C ATOM 435 OD1 ASN A 161 9.616 6.778 1.433 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.225 7.153 3.071 1.00 0.00 N ATOM 0 H ASN A 161 6.711 7.885 -2.001 1.00 0.00 H new ATOM 0 HA ASN A 161 7.482 6.422 -0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.366 8.761 0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 161 7.096 8.816 1.456 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.794 6.596 3.709 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.367 7.593 3.404 1.00 0.00 H new ATOM 443 N GLY A 162 5.017 5.655 0.331 1.00 0.00 N ATOM 444 CA GLY A 162 3.945 4.997 1.133 1.00 0.00 C ATOM 445 C GLY A 162 4.197 3.494 1.196 1.00 0.00 C ATOM 446 O GLY A 162 5.307 3.047 1.416 1.00 0.00 O ATOM 0 H GLY A 162 5.085 5.350 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 162 3.923 5.414 2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 162 2.971 5.193 0.686 1.00 0.00 H new ATOM 450 N PHE A 163 3.170 2.716 0.998 1.00 0.00 N ATOM 451 CA PHE A 163 3.322 1.237 1.040 1.00 0.00 C ATOM 452 C PHE A 163 2.932 0.667 -0.322 1.00 0.00 C ATOM 453 O PHE A 163 1.783 0.731 -0.711 1.00 0.00 O ATOM 454 CB PHE A 163 2.373 0.659 2.094 1.00 0.00 C ATOM 455 CG PHE A 163 3.050 0.621 3.444 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.932 -0.421 3.755 1.00 0.00 C ATOM 457 CD2 PHE A 163 2.787 1.621 4.387 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.551 -0.462 5.010 1.00 0.00 C ATOM 459 CE2 PHE A 163 3.405 1.580 5.642 1.00 0.00 C ATOM 460 CZ PHE A 163 4.288 0.538 5.954 1.00 0.00 C ATOM 0 H PHE A 163 2.224 3.046 0.807 1.00 0.00 H new ATOM 0 HA PHE A 163 4.353 0.980 1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.468 1.265 2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.066 -0.346 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.135 -1.193 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.107 2.425 4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.232 -1.265 5.250 1.00 0.00 H new ATOM 0 HE2 PHE A 163 3.201 2.351 6.370 1.00 0.00 H new ATOM 0 HZ PHE A 163 4.766 0.506 6.922 1.00 0.00 H new ATOM 470 N ARG A 164 3.866 0.122 -1.056 1.00 0.00 N ATOM 471 CA ARG A 164 3.523 -0.432 -2.408 1.00 0.00 C ATOM 472 C ARG A 164 3.805 -1.936 -2.482 1.00 0.00 C ATOM 473 O ARG A 164 4.750 -2.444 -1.909 1.00 0.00 O ATOM 474 CB ARG A 164 4.335 0.267 -3.522 1.00 0.00 C ATOM 475 CG ARG A 164 5.664 0.828 -2.990 1.00 0.00 C ATOM 476 CD ARG A 164 6.696 0.876 -4.124 1.00 0.00 C ATOM 477 NE ARG A 164 6.858 -0.482 -4.733 1.00 0.00 N ATOM 478 CZ ARG A 164 7.098 -1.537 -3.987 1.00 0.00 C ATOM 479 NH1 ARG A 164 7.671 -1.412 -2.816 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.757 -2.718 -4.414 1.00 0.00 N ATOM 0 H ARG A 164 4.845 0.035 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 164 2.459 -0.250 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.535 -0.442 -4.326 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.744 1.076 -3.950 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.511 1.827 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.033 0.205 -2.176 1.00 0.00 H new ATOM 0 HD2 ARG A 164 6.378 1.588 -4.885 1.00 0.00 H new ATOM 0 HD3 ARG A 164 7.654 1.227 -3.739 1.00 0.00 H new ATOM 0 HE ARG A 164 6.781 -0.590 -5.744 1.00 0.00 H new ATOM 0 HH11 ARG A 164 7.936 -0.488 -2.474 1.00 0.00 H new ATOM 0 HH12 ARG A 164 7.852 -2.238 -2.246 1.00 0.00 H new ATOM 0 HH21 ARG A 164 6.306 -2.821 -5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.941 -3.541 -3.840 1.00 0.00 H new ATOM 494 N CYS A 165 2.972 -2.637 -3.212 1.00 0.00 N ATOM 495 CA CYS A 165 3.137 -4.111 -3.383 1.00 0.00 C ATOM 496 C CYS A 165 4.012 -4.356 -4.616 1.00 0.00 C ATOM 497 O CYS A 165 3.759 -3.810 -5.679 1.00 0.00 O ATOM 498 CB CYS A 165 1.752 -4.742 -3.582 1.00 0.00 C ATOM 499 SG CYS A 165 1.879 -6.543 -3.725 1.00 0.00 S ATOM 0 H CYS A 165 2.171 -2.241 -3.704 1.00 0.00 H new ATOM 0 HA CYS A 165 3.609 -4.556 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.106 -4.484 -2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.287 -4.334 -4.479 1.00 0.00 H new ATOM 504 N GLN A 166 5.050 -5.150 -4.471 1.00 0.00 N ATOM 505 CA GLN A 166 5.981 -5.415 -5.617 1.00 0.00 C ATOM 506 C GLN A 166 5.525 -6.633 -6.437 1.00 0.00 C ATOM 507 O GLN A 166 6.284 -7.167 -7.223 1.00 0.00 O ATOM 508 CB GLN A 166 7.392 -5.682 -5.067 1.00 0.00 C ATOM 509 CG GLN A 166 8.431 -4.861 -5.850 1.00 0.00 C ATOM 510 CD GLN A 166 9.318 -4.082 -4.874 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.530 -4.505 -3.755 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.848 -2.952 -5.254 1.00 0.00 N ATOM 0 H GLN A 166 5.293 -5.628 -3.603 1.00 0.00 H new ATOM 0 HA GLN A 166 5.981 -4.541 -6.268 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.433 -5.421 -4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.625 -6.744 -5.143 1.00 0.00 H new ATOM 0 HG2 GLN A 166 9.043 -5.522 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 166 7.928 -4.172 -6.528 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.671 -2.596 -6.193 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.440 -2.425 -4.612 1.00 0.00 H new ATOM 521 N THR A 167 4.304 -7.065 -6.274 1.00 0.00 N ATOM 522 CA THR A 167 3.812 -8.236 -7.060 1.00 0.00 C ATOM 523 C THR A 167 2.696 -7.761 -7.988 1.00 0.00 C ATOM 524 O THR A 167 2.604 -8.180 -9.127 1.00 0.00 O ATOM 525 CB THR A 167 3.287 -9.333 -6.121 1.00 0.00 C ATOM 526 OG1 THR A 167 3.296 -8.870 -4.777 1.00 0.00 O ATOM 527 CG2 THR A 167 4.172 -10.580 -6.235 1.00 0.00 C ATOM 0 H THR A 167 3.625 -6.659 -5.631 1.00 0.00 H new ATOM 0 HA THR A 167 4.631 -8.656 -7.644 1.00 0.00 H new ATOM 0 HB THR A 167 2.266 -9.583 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 167 2.711 -8.088 -4.697 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.796 -11.355 -5.567 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.155 -10.946 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.195 -10.327 -5.957 1.00 0.00 H new ATOM 535 N CYS A 168 1.860 -6.875 -7.513 1.00 0.00 N ATOM 536 CA CYS A 168 0.761 -6.350 -8.369 1.00 0.00 C ATOM 537 C CYS A 168 1.053 -4.889 -8.741 1.00 0.00 C ATOM 538 O CYS A 168 0.467 -4.357 -9.665 1.00 0.00 O ATOM 539 CB CYS A 168 -0.574 -6.449 -7.624 1.00 0.00 C ATOM 540 SG CYS A 168 -0.470 -5.588 -6.038 1.00 0.00 S ATOM 0 H CYS A 168 1.893 -6.493 -6.568 1.00 0.00 H new ATOM 0 HA CYS A 168 0.698 -6.944 -9.280 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.370 -6.015 -8.230 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.831 -7.496 -7.462 1.00 0.00 H new ATOM 545 N GLY A 169 1.951 -4.231 -8.032 1.00 0.00 N ATOM 546 CA GLY A 169 2.266 -2.812 -8.359 1.00 0.00 C ATOM 547 C GLY A 169 1.195 -1.920 -7.745 1.00 0.00 C ATOM 548 O GLY A 169 0.480 -1.224 -8.441 1.00 0.00 O ATOM 0 H GLY A 169 2.472 -4.621 -7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.249 -2.544 -7.971 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.301 -2.672 -9.439 1.00 0.00 H new ATOM 552 N TYR A 170 1.077 -1.946 -6.445 1.00 0.00 N ATOM 553 CA TYR A 170 0.039 -1.104 -5.773 1.00 0.00 C ATOM 554 C TYR A 170 0.726 -0.074 -4.871 1.00 0.00 C ATOM 555 O TYR A 170 1.927 -0.094 -4.714 1.00 0.00 O ATOM 556 CB TYR A 170 -0.881 -2.007 -4.940 1.00 0.00 C ATOM 557 CG TYR A 170 -2.301 -1.919 -5.460 1.00 0.00 C ATOM 558 CD1 TYR A 170 -3.154 -0.921 -4.984 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.763 -2.841 -6.407 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.472 -0.843 -5.451 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.081 -2.762 -6.876 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.934 -1.763 -6.397 1.00 0.00 C ATOM 563 OH TYR A 170 -6.234 -1.686 -6.858 1.00 0.00 O ATOM 0 H TYR A 170 1.651 -2.511 -5.819 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.556 -0.579 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.531 -3.038 -4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.849 -1.706 -3.893 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.797 -0.209 -4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.104 -3.613 -6.776 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -5.132 -0.072 -5.080 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -4.438 -3.472 -7.607 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.392 -2.399 -7.512 1.00 0.00 H new ATOM 573 N LYS A 171 -0.030 0.824 -4.286 1.00 0.00 N ATOM 574 CA LYS A 171 0.572 1.862 -3.391 1.00 0.00 C ATOM 575 C LYS A 171 -0.538 2.398 -2.475 1.00 0.00 C ATOM 576 O LYS A 171 -1.680 2.471 -2.886 1.00 0.00 O ATOM 577 CB LYS A 171 1.173 2.979 -4.254 1.00 0.00 C ATOM 578 CG LYS A 171 0.137 3.484 -5.270 1.00 0.00 C ATOM 579 CD LYS A 171 0.678 3.305 -6.693 1.00 0.00 C ATOM 580 CE LYS A 171 0.384 1.882 -7.176 1.00 0.00 C ATOM 581 NZ LYS A 171 0.162 1.886 -8.651 1.00 0.00 N ATOM 0 H LYS A 171 -1.043 0.883 -4.391 1.00 0.00 H new ATOM 0 HA LYS A 171 1.370 1.444 -2.777 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.501 3.802 -3.619 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.055 2.609 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.797 2.935 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.086 4.535 -5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 171 0.216 4.030 -7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 171 1.752 3.492 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 171 1.216 1.224 -6.926 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -0.497 1.490 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.216 0.912 -9.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -0.777 2.282 -8.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 0.892 2.467 -9.110 1.00 0.00 H new ATOM 595 N PHE A 172 -0.240 2.725 -1.230 1.00 0.00 N ATOM 596 CA PHE A 172 -1.330 3.185 -0.302 1.00 0.00 C ATOM 597 C PHE A 172 -0.833 4.135 0.821 1.00 0.00 C ATOM 598 O PHE A 172 0.210 3.921 1.406 1.00 0.00 O ATOM 599 CB PHE A 172 -1.842 1.944 0.421 1.00 0.00 C ATOM 600 CG PHE A 172 -2.543 0.972 -0.494 1.00 0.00 C ATOM 601 CD1 PHE A 172 -3.587 1.386 -1.325 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.158 -0.373 -0.472 1.00 0.00 C ATOM 603 CE1 PHE A 172 -4.242 0.452 -2.137 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.815 -1.303 -1.276 1.00 0.00 C ATOM 605 CZ PHE A 172 -3.853 -0.894 -2.106 1.00 0.00 C ATOM 0 H PHE A 172 0.695 2.693 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 172 -2.068 3.713 -0.906 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -1.004 1.440 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.528 2.249 1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -3.888 2.423 -1.341 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.350 -0.691 0.170 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -5.045 0.768 -2.786 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -2.518 -2.341 -1.254 1.00 0.00 H new ATOM 0 HZ PHE A 172 -4.361 -1.616 -2.729 1.00 0.00 H new ATOM 615 N HIS A 173 -1.625 5.138 1.180 1.00 0.00 N ATOM 616 CA HIS A 173 -1.260 6.041 2.320 1.00 0.00 C ATOM 617 C HIS A 173 -1.667 5.333 3.663 1.00 0.00 C ATOM 618 O HIS A 173 -1.186 4.257 3.954 1.00 0.00 O ATOM 619 CB HIS A 173 -2.027 7.366 2.199 1.00 0.00 C ATOM 620 CG HIS A 173 -1.760 8.078 0.930 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.800 8.594 0.160 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.614 8.450 0.323 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.230 9.252 -0.857 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.900 9.189 -0.793 1.00 0.00 N ATOM 0 H HIS A 173 -2.510 5.363 0.725 1.00 0.00 H new ATOM 0 HA HIS A 173 -0.189 6.244 2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -3.096 7.169 2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -1.758 8.012 3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.380 8.202 0.666 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.778 9.768 -1.631 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.233 9.606 -1.442 1.00 0.00 H new ATOM 632 N GLU A 174 -2.557 5.917 4.480 1.00 0.00 N ATOM 633 CA GLU A 174 -2.982 5.263 5.769 1.00 0.00 C ATOM 634 C GLU A 174 -4.347 4.573 5.578 1.00 0.00 C ATOM 635 O GLU A 174 -4.491 3.389 5.813 1.00 0.00 O ATOM 636 CB GLU A 174 -3.102 6.327 6.866 1.00 0.00 C ATOM 637 CG GLU A 174 -1.717 6.890 7.194 1.00 0.00 C ATOM 638 CD GLU A 174 -1.830 7.878 8.356 1.00 0.00 C ATOM 639 OE1 GLU A 174 -2.240 7.460 9.426 1.00 0.00 O ATOM 640 OE2 GLU A 174 -1.503 9.036 8.157 1.00 0.00 O ATOM 0 H GLU A 174 -2.998 6.818 4.296 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.238 4.520 6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -3.762 7.129 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -3.549 5.892 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -1.036 6.080 7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -1.298 7.387 6.319 1.00 0.00 H new ATOM 647 N HIS A 175 -5.342 5.302 5.109 1.00 0.00 N ATOM 648 CA HIS A 175 -6.702 4.695 4.849 1.00 0.00 C ATOM 649 C HIS A 175 -6.636 3.751 3.656 1.00 0.00 C ATOM 650 O HIS A 175 -7.608 3.116 3.294 1.00 0.00 O ATOM 651 CB HIS A 175 -7.667 5.795 4.399 1.00 0.00 C ATOM 652 CG HIS A 175 -8.236 6.514 5.590 1.00 0.00 C ATOM 653 ND1 HIS A 175 -7.419 7.079 6.585 1.00 0.00 N ATOM 654 CD2 HIS A 175 -9.528 6.775 5.970 1.00 0.00 C ATOM 655 CE1 HIS A 175 -8.245 7.637 7.489 1.00 0.00 C ATOM 656 NE2 HIS A 175 -9.531 7.473 7.151 1.00 0.00 N ATOM 0 H HIS A 175 -5.272 6.297 4.893 1.00 0.00 H new ATOM 0 HA HIS A 175 -7.017 4.191 5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -7.146 6.503 3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -8.474 5.360 3.809 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -10.410 6.476 5.422 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -7.912 8.153 8.377 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -10.347 7.801 7.667 1.00 0.00 H new ATOM 664 N CYS A 176 -5.535 3.748 2.991 1.00 0.00 N ATOM 665 CA CYS A 176 -5.390 2.979 1.756 1.00 0.00 C ATOM 666 C CYS A 176 -4.694 1.638 2.052 1.00 0.00 C ATOM 667 O CYS A 176 -4.668 0.750 1.220 1.00 0.00 O ATOM 668 CB CYS A 176 -4.595 3.888 0.785 1.00 0.00 C ATOM 669 SG CYS A 176 -5.031 5.661 1.085 1.00 0.00 S ATOM 0 H CYS A 176 -4.701 4.267 3.266 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.345 2.713 1.303 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -3.525 3.738 0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -4.821 3.618 -0.247 1.00 0.00 H new ATOM 674 N SER A 177 -4.166 1.471 3.245 1.00 0.00 N ATOM 675 CA SER A 177 -3.517 0.184 3.620 1.00 0.00 C ATOM 676 C SER A 177 -4.395 -0.490 4.677 1.00 0.00 C ATOM 677 O SER A 177 -5.037 0.177 5.467 1.00 0.00 O ATOM 678 CB SER A 177 -2.127 0.454 4.195 1.00 0.00 C ATOM 679 OG SER A 177 -2.115 1.735 4.812 1.00 0.00 O ATOM 0 H SER A 177 -4.160 2.182 3.977 1.00 0.00 H new ATOM 0 HA SER A 177 -3.410 -0.459 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 177 -1.866 -0.315 4.922 1.00 0.00 H new ATOM 0 HB3 SER A 177 -1.379 0.412 3.403 1.00 0.00 H new ATOM 0 HG SER A 177 -1.705 2.386 4.205 1.00 0.00 H new ATOM 685 N THR A 178 -4.451 -1.800 4.690 1.00 0.00 N ATOM 686 CA THR A 178 -5.318 -2.506 5.689 1.00 0.00 C ATOM 687 C THR A 178 -6.781 -2.074 5.495 1.00 0.00 C ATOM 688 O THR A 178 -7.596 -2.192 6.390 1.00 0.00 O ATOM 689 CB THR A 178 -4.862 -2.151 7.110 1.00 0.00 C ATOM 690 OG1 THR A 178 -3.471 -2.406 7.234 1.00 0.00 O ATOM 691 CG2 THR A 178 -5.632 -3.002 8.121 1.00 0.00 C ATOM 0 H THR A 178 -3.936 -2.410 4.055 1.00 0.00 H new ATOM 0 HA THR A 178 -5.235 -3.583 5.542 1.00 0.00 H new ATOM 0 HB THR A 178 -5.057 -1.096 7.304 1.00 0.00 H new ATOM 0 HG1 THR A 178 -3.176 -2.178 8.141 1.00 0.00 H new ATOM 0 HG21 THR A 178 -5.308 -2.750 9.131 1.00 0.00 H new ATOM 0 HG22 THR A 178 -6.700 -2.806 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.438 -4.058 7.931 1.00 0.00 H new ATOM 699 N LYS A 179 -7.115 -1.579 4.327 1.00 0.00 N ATOM 700 CA LYS A 179 -8.515 -1.140 4.052 1.00 0.00 C ATOM 701 C LYS A 179 -8.868 -1.505 2.610 1.00 0.00 C ATOM 702 O LYS A 179 -9.918 -2.051 2.332 1.00 0.00 O ATOM 703 CB LYS A 179 -8.620 0.375 4.235 1.00 0.00 C ATOM 704 CG LYS A 179 -10.061 0.749 4.593 1.00 0.00 C ATOM 705 CD LYS A 179 -10.818 1.143 3.324 1.00 0.00 C ATOM 706 CE LYS A 179 -10.619 2.635 3.053 1.00 0.00 C ATOM 707 NZ LYS A 179 -11.849 3.195 2.425 1.00 0.00 N ATOM 0 H LYS A 179 -6.469 -1.460 3.547 1.00 0.00 H new ATOM 0 HA LYS A 179 -9.202 -1.633 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -7.942 0.705 5.022 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -8.318 0.884 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.556 -0.092 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.067 1.575 5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -10.459 0.558 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -11.879 0.922 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -10.403 3.159 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -9.762 2.785 2.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -11.714 4.210 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -12.036 2.702 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -12.657 3.065 3.067 1.00 0.00 H new ATOM 721 N VAL A 180 -7.980 -1.214 1.692 1.00 0.00 N ATOM 722 CA VAL A 180 -8.219 -1.541 0.254 1.00 0.00 C ATOM 723 C VAL A 180 -8.570 -3.048 0.113 1.00 0.00 C ATOM 724 O VAL A 180 -7.764 -3.884 0.467 1.00 0.00 O ATOM 725 CB VAL A 180 -6.933 -1.213 -0.525 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.741 -1.954 0.098 1.00 0.00 C ATOM 727 CG2 VAL A 180 -7.080 -1.621 -1.995 1.00 0.00 C ATOM 0 H VAL A 180 -7.088 -0.758 1.882 1.00 0.00 H new ATOM 0 HA VAL A 180 -9.052 -0.959 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.759 -0.138 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.834 -1.717 -0.459 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -5.621 -1.643 1.136 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -5.920 -3.028 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -6.162 -1.382 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -7.269 -2.693 -2.058 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -7.913 -1.079 -2.442 1.00 0.00 H new ATOM 737 N PRO A 181 -9.761 -3.366 -0.387 1.00 0.00 N ATOM 738 CA PRO A 181 -10.188 -4.773 -0.547 1.00 0.00 C ATOM 739 C PRO A 181 -9.513 -5.408 -1.767 1.00 0.00 C ATOM 740 O PRO A 181 -8.683 -4.798 -2.412 1.00 0.00 O ATOM 741 CB PRO A 181 -11.703 -4.676 -0.743 1.00 0.00 C ATOM 742 CG PRO A 181 -11.989 -3.244 -1.249 1.00 0.00 C ATOM 743 CD PRO A 181 -10.781 -2.384 -0.840 1.00 0.00 C ATOM 0 HA PRO A 181 -9.917 -5.398 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -12.049 -5.418 -1.462 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -12.228 -4.869 0.192 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -12.123 -3.235 -2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -12.908 -2.855 -0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -10.415 -1.790 -1.677 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.042 -1.687 -0.044 1.00 0.00 H new ATOM 751 N THR A 182 -9.859 -6.637 -2.079 1.00 0.00 N ATOM 752 CA THR A 182 -9.236 -7.331 -3.251 1.00 0.00 C ATOM 753 C THR A 182 -7.729 -7.464 -3.014 1.00 0.00 C ATOM 754 O THR A 182 -6.999 -6.489 -3.034 1.00 0.00 O ATOM 755 CB THR A 182 -9.492 -6.529 -4.534 1.00 0.00 C ATOM 756 OG1 THR A 182 -10.660 -5.735 -4.371 1.00 0.00 O ATOM 757 CG2 THR A 182 -9.687 -7.492 -5.707 1.00 0.00 C ATOM 0 H THR A 182 -10.549 -7.190 -1.570 1.00 0.00 H new ATOM 0 HA THR A 182 -9.678 -8.321 -3.362 1.00 0.00 H new ATOM 0 HB THR A 182 -8.639 -5.881 -4.735 1.00 0.00 H new ATOM 0 HG1 THR A 182 -10.823 -5.221 -5.189 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.869 -6.923 -6.619 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.791 -8.100 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 182 -10.540 -8.140 -5.508 1.00 0.00 H new ATOM 765 N MET A 183 -7.259 -8.663 -2.773 1.00 0.00 N ATOM 766 CA MET A 183 -5.803 -8.862 -2.513 1.00 0.00 C ATOM 767 C MET A 183 -5.103 -9.394 -3.769 1.00 0.00 C ATOM 768 O MET A 183 -5.712 -9.590 -4.803 1.00 0.00 O ATOM 769 CB MET A 183 -5.628 -9.865 -1.362 1.00 0.00 C ATOM 770 CG MET A 183 -4.613 -9.323 -0.351 1.00 0.00 C ATOM 771 SD MET A 183 -5.478 -8.408 0.950 1.00 0.00 S ATOM 772 CE MET A 183 -4.512 -9.028 2.348 1.00 0.00 C ATOM 0 H MET A 183 -7.823 -9.512 -2.745 1.00 0.00 H new ATOM 0 HA MET A 183 -5.356 -7.905 -2.243 1.00 0.00 H new ATOM 0 HB2 MET A 183 -6.585 -10.040 -0.871 1.00 0.00 H new ATOM 0 HB3 MET A 183 -5.289 -10.825 -1.752 1.00 0.00 H new ATOM 0 HG2 MET A 183 -4.045 -10.145 0.085 1.00 0.00 H new ATOM 0 HG3 MET A 183 -3.897 -8.672 -0.853 1.00 0.00 H new ATOM 0 HE1 MET A 183 -4.883 -8.584 3.272 1.00 0.00 H new ATOM 0 HE2 MET A 183 -4.606 -10.113 2.403 1.00 0.00 H new ATOM 0 HE3 MET A 183 -3.464 -8.761 2.213 1.00 0.00 H new ATOM 782 N CYS A 184 -3.820 -9.623 -3.669 1.00 0.00 N ATOM 783 CA CYS A 184 -3.037 -10.143 -4.830 1.00 0.00 C ATOM 784 C CYS A 184 -3.567 -11.527 -5.223 1.00 0.00 C ATOM 785 O CYS A 184 -4.258 -12.177 -4.462 1.00 0.00 O ATOM 786 CB CYS A 184 -1.564 -10.257 -4.403 1.00 0.00 C ATOM 787 SG CYS A 184 -0.512 -9.174 -5.407 1.00 0.00 S ATOM 0 H CYS A 184 -3.274 -9.470 -2.821 1.00 0.00 H new ATOM 0 HA CYS A 184 -3.131 -9.471 -5.683 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -1.465 -9.992 -3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 184 -1.231 -11.290 -4.505 1.00 0.00 H new ATOM 792 N VAL A 185 -3.236 -11.984 -6.406 1.00 0.00 N ATOM 793 CA VAL A 185 -3.700 -13.328 -6.866 1.00 0.00 C ATOM 794 C VAL A 185 -5.228 -13.421 -6.778 1.00 0.00 C ATOM 795 O VAL A 185 -5.776 -13.813 -5.764 1.00 0.00 O ATOM 796 CB VAL A 185 -3.068 -14.404 -5.981 1.00 0.00 C ATOM 797 CG1 VAL A 185 -3.442 -15.793 -6.509 1.00 0.00 C ATOM 798 CG2 VAL A 185 -1.545 -14.250 -5.999 1.00 0.00 C ATOM 0 H VAL A 185 -2.659 -11.478 -7.078 1.00 0.00 H new ATOM 0 HA VAL A 185 -3.400 -13.477 -7.903 1.00 0.00 H new ATOM 0 HB VAL A 185 -3.436 -14.292 -4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -2.990 -16.557 -5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -4.526 -15.907 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -3.076 -15.905 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -1.094 -15.016 -5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -1.180 -14.360 -7.020 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -1.275 -13.264 -5.621 1.00 0.00 H new ATOM 808 N ASP A 186 -5.914 -13.067 -7.834 1.00 0.00 N ATOM 809 CA ASP A 186 -7.405 -13.140 -7.822 1.00 0.00 C ATOM 810 C ASP A 186 -7.838 -14.607 -7.786 1.00 0.00 C ATOM 811 O ASP A 186 -7.016 -15.502 -7.749 1.00 0.00 O ATOM 812 CB ASP A 186 -7.967 -12.469 -9.081 1.00 0.00 C ATOM 813 CG ASP A 186 -7.261 -13.012 -10.331 1.00 0.00 C ATOM 814 OD1 ASP A 186 -6.721 -14.105 -10.263 1.00 0.00 O ATOM 815 OD2 ASP A 186 -7.275 -12.322 -11.337 1.00 0.00 O ATOM 0 H ASP A 186 -5.505 -12.730 -8.705 1.00 0.00 H new ATOM 0 HA ASP A 186 -7.787 -12.624 -6.941 1.00 0.00 H new ATOM 0 HB2 ASP A 186 -9.039 -12.652 -9.152 1.00 0.00 H new ATOM 0 HB3 ASP A 186 -7.831 -11.389 -9.018 1.00 0.00 H new ATOM 820 N TRP A 187 -9.124 -14.858 -7.795 1.00 0.00 N ATOM 821 CA TRP A 187 -9.625 -16.268 -7.761 1.00 0.00 C ATOM 822 C TRP A 187 -9.160 -16.945 -6.470 1.00 0.00 C ATOM 823 O TRP A 187 -8.778 -16.234 -5.555 1.00 0.00 O ATOM 824 CB TRP A 187 -9.083 -17.046 -8.966 1.00 0.00 C ATOM 825 CG TRP A 187 -9.363 -16.290 -10.228 1.00 0.00 C ATOM 826 CD1 TRP A 187 -8.449 -16.019 -11.187 1.00 0.00 C ATOM 827 CD2 TRP A 187 -10.619 -15.707 -10.684 1.00 0.00 C ATOM 828 NE1 TRP A 187 -9.062 -15.305 -12.200 1.00 0.00 N ATOM 829 CE2 TRP A 187 -10.399 -15.087 -11.937 1.00 0.00 C ATOM 830 CE3 TRP A 187 -11.916 -15.654 -10.138 1.00 0.00 C ATOM 831 CZ2 TRP A 187 -11.426 -14.439 -12.623 1.00 0.00 C ATOM 832 CZ3 TRP A 187 -12.952 -15.000 -10.827 1.00 0.00 C ATOM 833 CH2 TRP A 187 -12.706 -14.396 -12.067 1.00 0.00 C ATOM 834 OXT TRP A 187 -9.192 -18.164 -6.418 1.00 0.00 O ATOM 0 H TRP A 187 -9.852 -14.144 -7.825 1.00 0.00 H new ATOM 0 HA TRP A 187 -10.714 -16.259 -7.800 1.00 0.00 H new ATOM 0 HB2 TRP A 187 -8.010 -17.203 -8.856 1.00 0.00 H new ATOM 0 HB3 TRP A 187 -9.546 -18.032 -9.012 1.00 0.00 H new ATOM 0 HD1 TRP A 187 -7.410 -16.312 -11.165 1.00 0.00 H new ATOM 0 HE1 TRP A 187 -8.584 -14.979 -13.040 1.00 0.00 H new ATOM 0 HE3 TRP A 187 -12.116 -16.119 -9.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 -11.232 -13.973 -13.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 -13.943 -14.963 -10.398 1.00 0.00 H new ATOM 0 HH2 TRP A 187 -13.507 -13.897 -12.593 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -4.365 7.424 -0.198 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -0.257 -7.141 -4.349 1.00 0.00 ZN