USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, 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 173 HIS HD1 : A 173 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 138 THR OG1 : rot -19:sc= 0.825 USER MOD Single : A 139 HIS : no HE2:sc= -9.13! C(o=-8.9!,f=-18!) USER MOD Single : A 140 ASN : amide:sc= -3.55 K(o=-3.6,f=-10!) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.348 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= -3.96 K(o=-4,f=-4.8!) USER MOD Single : A 166 GLN : amide:sc= -0.0745 K(o=-0.075,f=-0.87) USER MOD Single : A 167 THR OG1 : rot -110:sc= -1.11 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 175:sc= -0.218 (180deg=-0.273) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 177 SER OG : rot 180:sc= 0 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 97:sc= -0.0852 USER MOD Single : A 183 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 136 5.994 -13.610 -8.832 1.00 0.00 N ATOM 2 CA LEU A 136 5.947 -12.158 -8.500 1.00 0.00 C ATOM 3 C LEU A 136 4.603 -11.578 -8.949 1.00 0.00 C ATOM 4 O LEU A 136 4.541 -10.525 -9.558 1.00 0.00 O ATOM 5 CB LEU A 136 7.092 -11.431 -9.216 1.00 0.00 C ATOM 6 CG LEU A 136 7.063 -11.763 -10.720 1.00 0.00 C ATOM 7 CD1 LEU A 136 7.179 -10.474 -11.537 1.00 0.00 C ATOM 8 CD2 LEU A 136 8.235 -12.684 -11.071 1.00 0.00 C ATOM 0 HA LEU A 136 6.056 -12.025 -7.424 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.999 -10.355 -9.070 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.049 -11.729 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 136 6.122 -12.262 -10.953 1.00 0.00 H new ATOM 0 HD11 LEU A 136 7.158 -10.714 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 136 6.345 -9.815 -11.297 1.00 0.00 H new ATOM 0 HD13 LEU A 136 8.117 -9.974 -11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 136 8.210 -12.916 -12.136 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.174 -12.186 -10.830 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.157 -13.607 -10.497 1.00 0.00 H new ATOM 22 N THR A 137 3.524 -12.260 -8.654 1.00 0.00 N ATOM 23 CA THR A 137 2.179 -11.758 -9.061 1.00 0.00 C ATOM 24 C THR A 137 1.128 -12.234 -8.056 1.00 0.00 C ATOM 25 O THR A 137 0.529 -13.279 -8.226 1.00 0.00 O ATOM 26 CB THR A 137 1.832 -12.296 -10.450 1.00 0.00 C ATOM 27 OG1 THR A 137 3.010 -12.363 -11.240 1.00 0.00 O ATOM 28 CG2 THR A 137 0.819 -11.366 -11.117 1.00 0.00 C ATOM 0 H THR A 137 3.519 -13.145 -8.147 1.00 0.00 H new ATOM 0 HA THR A 137 2.193 -10.668 -9.084 1.00 0.00 H new ATOM 0 HB THR A 137 1.402 -13.293 -10.358 1.00 0.00 H new ATOM 0 HG1 THR A 137 2.788 -12.709 -12.130 1.00 0.00 H new ATOM 0 HG21 THR A 137 0.571 -11.748 -12.107 1.00 0.00 H new ATOM 0 HG22 THR A 137 -0.085 -11.317 -10.510 1.00 0.00 H new ATOM 0 HG23 THR A 137 1.248 -10.368 -11.210 1.00 0.00 H new ATOM 36 N THR A 138 0.896 -11.472 -7.014 1.00 0.00 N ATOM 37 CA THR A 138 -0.121 -11.880 -6.001 1.00 0.00 C ATOM 38 C THR A 138 -0.560 -10.656 -5.177 1.00 0.00 C ATOM 39 O THR A 138 -1.562 -10.033 -5.478 1.00 0.00 O ATOM 40 CB THR A 138 0.477 -12.967 -5.092 1.00 0.00 C ATOM 41 OG1 THR A 138 0.837 -14.089 -5.886 1.00 0.00 O ATOM 42 CG2 THR A 138 -0.553 -13.401 -4.045 1.00 0.00 C ATOM 0 H THR A 138 1.367 -10.588 -6.824 1.00 0.00 H new ATOM 0 HA THR A 138 -1.000 -12.285 -6.502 1.00 0.00 H new ATOM 0 HB THR A 138 1.356 -12.569 -4.585 1.00 0.00 H new ATOM 0 HG1 THR A 138 0.366 -14.047 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 138 -0.120 -14.171 -3.406 1.00 0.00 H new ATOM 0 HG22 THR A 138 -0.837 -12.542 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 138 -1.435 -13.799 -4.546 1.00 0.00 H new ATOM 50 N HIS A 139 0.167 -10.309 -4.136 1.00 0.00 N ATOM 51 CA HIS A 139 -0.228 -9.134 -3.291 1.00 0.00 C ATOM 52 C HIS A 139 0.793 -8.973 -2.151 1.00 0.00 C ATOM 53 O HIS A 139 1.073 -9.907 -1.425 1.00 0.00 O ATOM 54 CB HIS A 139 -1.632 -9.388 -2.724 1.00 0.00 C ATOM 55 CG HIS A 139 -2.523 -8.180 -2.918 1.00 0.00 C ATOM 56 ND1 HIS A 139 -2.286 -7.207 -3.912 1.00 0.00 N ATOM 57 CD2 HIS A 139 -3.678 -7.793 -2.289 1.00 0.00 C ATOM 58 CE1 HIS A 139 -3.297 -6.322 -3.835 1.00 0.00 C ATOM 59 NE2 HIS A 139 -4.156 -6.640 -2.862 1.00 0.00 N ATOM 0 H HIS A 139 1.016 -10.789 -3.837 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.241 -8.219 -3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.075 -10.254 -3.216 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -1.562 -9.626 -1.663 1.00 0.00 H new ATOM 0 HD1 HIS A 139 -1.501 -7.180 -4.563 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -4.142 -8.316 -1.466 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -3.401 -5.462 -4.480 1.00 0.00 H new ATOM 67 N ASN A 140 1.370 -7.802 -2.013 1.00 0.00 N ATOM 68 CA ASN A 140 2.403 -7.578 -0.946 1.00 0.00 C ATOM 69 C ASN A 140 2.543 -6.082 -0.638 1.00 0.00 C ATOM 70 O ASN A 140 1.988 -5.261 -1.310 1.00 0.00 O ATOM 71 CB ASN A 140 3.746 -8.085 -1.480 1.00 0.00 C ATOM 72 CG ASN A 140 4.257 -9.227 -0.602 1.00 0.00 C ATOM 73 OD1 ASN A 140 3.977 -9.265 0.579 1.00 0.00 O ATOM 74 ND2 ASN A 140 4.999 -10.163 -1.128 1.00 0.00 N ATOM 0 H ASN A 140 1.170 -6.988 -2.595 1.00 0.00 H new ATOM 0 HA ASN A 140 2.106 -8.102 -0.038 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.632 -8.428 -2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.472 -7.272 -1.494 1.00 0.00 H new ATOM 0 HD21 ASN A 140 5.344 -10.927 -0.547 1.00 0.00 H new ATOM 0 HD22 ASN A 140 5.234 -10.130 -2.120 1.00 0.00 H new ATOM 81 N PHE A 141 3.329 -5.720 0.341 1.00 0.00 N ATOM 82 CA PHE A 141 3.546 -4.263 0.617 1.00 0.00 C ATOM 83 C PHE A 141 4.836 -4.056 1.408 1.00 0.00 C ATOM 84 O PHE A 141 4.987 -4.535 2.515 1.00 0.00 O ATOM 85 CB PHE A 141 2.367 -3.592 1.353 1.00 0.00 C ATOM 86 CG PHE A 141 1.553 -4.545 2.205 1.00 0.00 C ATOM 87 CD1 PHE A 141 2.138 -5.649 2.838 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.190 -4.280 2.380 1.00 0.00 C ATOM 89 CE1 PHE A 141 1.355 -6.486 3.645 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.593 -5.118 3.182 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.009 -6.220 3.816 1.00 0.00 C ATOM 0 H PHE A 141 3.828 -6.361 0.958 1.00 0.00 H new ATOM 0 HA PHE A 141 3.623 -3.780 -0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.754 -2.794 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 141 1.711 -3.126 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 141 3.190 -5.855 2.705 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -0.259 -3.426 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 141 1.804 -7.337 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.646 -4.914 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.611 -6.866 4.438 1.00 0.00 H new ATOM 101 N ALA A 142 5.756 -3.321 0.842 1.00 0.00 N ATOM 102 CA ALA A 142 7.041 -3.038 1.538 1.00 0.00 C ATOM 103 C ALA A 142 7.153 -1.527 1.728 1.00 0.00 C ATOM 104 O ALA A 142 7.088 -0.772 0.777 1.00 0.00 O ATOM 105 CB ALA A 142 8.214 -3.542 0.691 1.00 0.00 C ATOM 0 H ALA A 142 5.669 -2.901 -0.083 1.00 0.00 H new ATOM 0 HA ALA A 142 7.067 -3.545 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.151 -3.332 1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.117 -4.617 0.538 1.00 0.00 H new ATOM 0 HB3 ALA A 142 8.209 -3.036 -0.275 1.00 0.00 H new ATOM 111 N ARG A 143 7.302 -1.078 2.948 1.00 0.00 N ATOM 112 CA ARG A 143 7.398 0.399 3.203 1.00 0.00 C ATOM 113 C ARG A 143 8.570 0.977 2.408 1.00 0.00 C ATOM 114 O ARG A 143 9.714 0.870 2.809 1.00 0.00 O ATOM 115 CB ARG A 143 7.635 0.685 4.697 1.00 0.00 C ATOM 116 CG ARG A 143 6.790 -0.246 5.575 1.00 0.00 C ATOM 117 CD ARG A 143 7.674 -1.342 6.185 1.00 0.00 C ATOM 118 NE ARG A 143 7.410 -1.433 7.648 1.00 0.00 N ATOM 119 CZ ARG A 143 8.297 -0.995 8.499 1.00 0.00 C ATOM 120 NH1 ARG A 143 9.538 -1.390 8.407 1.00 0.00 N ATOM 121 NH2 ARG A 143 7.945 -0.163 9.439 1.00 0.00 N ATOM 0 H ARG A 143 7.362 -1.665 3.780 1.00 0.00 H new ATOM 0 HA ARG A 143 6.459 0.859 2.895 1.00 0.00 H new ATOM 0 HB2 ARG A 143 8.691 0.554 4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 143 7.386 1.723 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 143 6.309 0.327 6.368 1.00 0.00 H new ATOM 0 HG3 ARG A 143 5.996 -0.698 4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 143 7.467 -2.299 5.707 1.00 0.00 H new ATOM 0 HD3 ARG A 143 8.726 -1.117 6.007 1.00 0.00 H new ATOM 0 HE ARG A 143 6.536 -1.838 7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 143 9.813 -2.040 7.671 1.00 0.00 H new ATOM 0 HH12 ARG A 143 10.232 -1.049 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 143 6.976 0.146 9.510 1.00 0.00 H new ATOM 0 HH22 ARG A 143 8.639 0.179 10.104 1.00 0.00 H new ATOM 135 N LYS A 144 8.291 1.587 1.288 1.00 0.00 N ATOM 136 CA LYS A 144 9.380 2.176 0.459 1.00 0.00 C ATOM 137 C LYS A 144 8.799 3.289 -0.414 1.00 0.00 C ATOM 138 O LYS A 144 7.690 3.738 -0.197 1.00 0.00 O ATOM 139 CB LYS A 144 10.006 1.078 -0.415 1.00 0.00 C ATOM 140 CG LYS A 144 8.951 0.498 -1.364 1.00 0.00 C ATOM 141 CD LYS A 144 9.312 -0.944 -1.747 1.00 0.00 C ATOM 142 CE LYS A 144 10.676 -0.978 -2.446 1.00 0.00 C ATOM 143 NZ LYS A 144 10.825 -2.263 -3.188 1.00 0.00 N ATOM 0 H LYS A 144 7.351 1.703 0.910 1.00 0.00 H new ATOM 0 HA LYS A 144 10.154 2.596 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.837 1.488 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.413 0.288 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 144 7.971 0.520 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.882 1.113 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.336 -1.570 -0.855 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.547 -1.356 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.765 -0.137 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.475 -0.875 -1.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 11.751 -2.285 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.758 -3.059 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.070 -2.343 -3.899 1.00 0.00 H new ATOM 157 N THR A 145 9.543 3.739 -1.390 1.00 0.00 N ATOM 158 CA THR A 145 9.033 4.829 -2.270 1.00 0.00 C ATOM 159 C THR A 145 9.278 4.489 -3.740 1.00 0.00 C ATOM 160 O THR A 145 10.002 3.568 -4.069 1.00 0.00 O ATOM 161 CB THR A 145 9.743 6.136 -1.924 1.00 0.00 C ATOM 162 OG1 THR A 145 9.347 7.148 -2.840 1.00 0.00 O ATOM 163 CG2 THR A 145 11.252 5.932 -2.009 1.00 0.00 C ATOM 0 H THR A 145 10.478 3.400 -1.615 1.00 0.00 H new ATOM 0 HA THR A 145 7.960 4.937 -2.109 1.00 0.00 H new ATOM 0 HB THR A 145 9.475 6.439 -0.912 1.00 0.00 H new ATOM 0 HG1 THR A 145 9.801 7.987 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.760 6.864 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.555 5.157 -1.305 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.522 5.629 -3.021 1.00 0.00 H new ATOM 171 N PHE A 146 8.672 5.239 -4.620 1.00 0.00 N ATOM 172 CA PHE A 146 8.844 4.991 -6.082 1.00 0.00 C ATOM 173 C PHE A 146 9.983 5.866 -6.608 1.00 0.00 C ATOM 174 O PHE A 146 10.231 6.942 -6.098 1.00 0.00 O ATOM 175 CB PHE A 146 7.554 5.360 -6.829 1.00 0.00 C ATOM 176 CG PHE A 146 6.358 4.741 -6.148 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.775 5.379 -5.047 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.826 3.535 -6.621 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.663 4.813 -4.420 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.710 2.971 -5.992 1.00 0.00 C ATOM 181 CZ PHE A 146 4.129 3.610 -4.891 1.00 0.00 C ATOM 0 H PHE A 146 8.059 6.020 -4.387 1.00 0.00 H new ATOM 0 HA PHE A 146 9.071 3.937 -6.243 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.442 6.444 -6.861 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.612 5.015 -7.861 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.185 6.309 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.276 3.041 -7.469 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.215 5.306 -3.570 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.297 2.042 -6.357 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.268 3.174 -4.405 1.00 0.00 H new ATOM 191 N LEU A 147 10.665 5.422 -7.634 1.00 0.00 N ATOM 192 CA LEU A 147 11.778 6.237 -8.204 1.00 0.00 C ATOM 193 C LEU A 147 11.197 7.532 -8.779 1.00 0.00 C ATOM 194 O LEU A 147 11.833 8.568 -8.766 1.00 0.00 O ATOM 195 CB LEU A 147 12.473 5.448 -9.314 1.00 0.00 C ATOM 196 CG LEU A 147 13.352 4.360 -8.695 1.00 0.00 C ATOM 197 CD1 LEU A 147 13.375 3.137 -9.613 1.00 0.00 C ATOM 198 CD2 LEU A 147 14.775 4.893 -8.519 1.00 0.00 C ATOM 0 H LEU A 147 10.498 4.530 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 147 12.504 6.471 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 147 11.731 4.999 -9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 147 13.080 6.117 -9.925 1.00 0.00 H new ATOM 0 HG LEU A 147 12.947 4.076 -7.724 1.00 0.00 H new ATOM 0 HD11 LEU A 147 14.002 2.362 -9.171 1.00 0.00 H new ATOM 0 HD12 LEU A 147 12.361 2.757 -9.738 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.779 3.419 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 147 15.402 4.118 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 147 15.180 5.178 -9.490 1.00 0.00 H new ATOM 0 HD23 LEU A 147 14.759 5.764 -7.863 1.00 0.00 H new ATOM 210 N LYS A 148 9.986 7.474 -9.274 1.00 0.00 N ATOM 211 CA LYS A 148 9.340 8.690 -9.845 1.00 0.00 C ATOM 212 C LYS A 148 8.085 9.015 -9.025 1.00 0.00 C ATOM 213 O LYS A 148 7.932 8.552 -7.911 1.00 0.00 O ATOM 214 CB LYS A 148 8.957 8.426 -11.305 1.00 0.00 C ATOM 215 CG LYS A 148 10.188 7.956 -12.082 1.00 0.00 C ATOM 216 CD LYS A 148 11.084 9.157 -12.397 1.00 0.00 C ATOM 217 CE LYS A 148 12.554 8.733 -12.341 1.00 0.00 C ATOM 218 NZ LYS A 148 13.038 8.440 -13.720 1.00 0.00 N ATOM 0 H LYS A 148 9.415 6.629 -9.306 1.00 0.00 H new ATOM 0 HA LYS A 148 10.030 9.533 -9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.173 7.671 -11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.555 9.333 -11.756 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.741 7.220 -11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 148 9.882 7.465 -13.006 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.847 9.551 -13.385 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.899 9.958 -11.682 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.155 9.524 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.666 7.852 -11.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.037 8.152 -13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 12.471 7.671 -14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 12.945 9.292 -14.309 1.00 0.00 H new ATOM 232 N LEU A 149 7.190 9.806 -9.564 1.00 0.00 N ATOM 233 CA LEU A 149 5.949 10.159 -8.812 1.00 0.00 C ATOM 234 C LEU A 149 4.834 9.170 -9.166 1.00 0.00 C ATOM 235 O LEU A 149 4.657 8.805 -10.313 1.00 0.00 O ATOM 236 CB LEU A 149 5.515 11.581 -9.188 1.00 0.00 C ATOM 237 CG LEU A 149 5.942 12.559 -8.090 1.00 0.00 C ATOM 238 CD1 LEU A 149 5.942 13.985 -8.645 1.00 0.00 C ATOM 239 CD2 LEU A 149 4.958 12.469 -6.922 1.00 0.00 C ATOM 0 H LEU A 149 7.266 10.222 -10.492 1.00 0.00 H new ATOM 0 HA LEU A 149 6.146 10.110 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.963 11.869 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.434 11.618 -9.321 1.00 0.00 H new ATOM 0 HG LEU A 149 6.944 12.304 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 149 6.246 14.680 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.640 14.051 -9.480 1.00 0.00 H new ATOM 0 HD13 LEU A 149 4.940 14.242 -8.989 1.00 0.00 H new ATOM 0 HD21 LEU A 149 5.259 13.164 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.957 12.725 -7.269 1.00 0.00 H new ATOM 0 HD23 LEU A 149 4.956 11.454 -6.525 1.00 0.00 H new ATOM 251 N ALA A 150 4.078 8.741 -8.185 1.00 0.00 N ATOM 252 CA ALA A 150 2.965 7.784 -8.450 1.00 0.00 C ATOM 253 C ALA A 150 1.640 8.437 -8.039 1.00 0.00 C ATOM 254 O ALA A 150 1.560 9.644 -7.904 1.00 0.00 O ATOM 255 CB ALA A 150 3.195 6.498 -7.649 1.00 0.00 C ATOM 0 H ALA A 150 4.187 9.015 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 150 2.930 7.534 -9.510 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.382 5.798 -7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.141 6.047 -7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.226 6.733 -6.585 1.00 0.00 H new ATOM 261 N PHE A 151 0.598 7.661 -7.857 1.00 0.00 N ATOM 262 CA PHE A 151 -0.723 8.252 -7.471 1.00 0.00 C ATOM 263 C PHE A 151 -1.581 7.201 -6.760 1.00 0.00 C ATOM 264 O PHE A 151 -1.807 6.128 -7.279 1.00 0.00 O ATOM 265 CB PHE A 151 -1.463 8.715 -8.727 1.00 0.00 C ATOM 266 CG PHE A 151 -0.652 9.729 -9.507 1.00 0.00 C ATOM 267 CD1 PHE A 151 0.236 9.299 -10.500 1.00 0.00 C ATOM 268 CD2 PHE A 151 -0.803 11.098 -9.250 1.00 0.00 C ATOM 269 CE1 PHE A 151 0.979 10.236 -11.230 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.058 12.034 -9.979 1.00 0.00 C ATOM 271 CZ PHE A 151 0.832 11.602 -10.969 1.00 0.00 C ATOM 0 H PHE A 151 0.605 6.646 -7.959 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.547 9.096 -6.804 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.679 7.855 -9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.421 9.152 -8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 151 0.348 8.244 -10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 151 -1.494 11.432 -8.490 1.00 0.00 H new ATOM 0 HE1 PHE A 151 1.665 9.903 -11.995 1.00 0.00 H new ATOM 0 HE2 PHE A 151 -0.170 13.089 -9.777 1.00 0.00 H new ATOM 0 HZ PHE A 151 1.405 12.324 -11.532 1.00 0.00 H new ATOM 281 N CYS A 152 -2.055 7.502 -5.574 1.00 0.00 N ATOM 282 CA CYS A 152 -2.897 6.513 -4.821 1.00 0.00 C ATOM 283 C CYS A 152 -4.285 6.355 -5.446 1.00 0.00 C ATOM 284 O CYS A 152 -5.133 7.225 -5.330 1.00 0.00 O ATOM 285 CB CYS A 152 -3.082 6.990 -3.392 1.00 0.00 C ATOM 286 SG CYS A 152 -3.868 5.678 -2.423 1.00 0.00 S ATOM 0 H CYS A 152 -1.896 8.388 -5.094 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.381 5.554 -4.856 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.118 7.253 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.696 7.890 -3.373 1.00 0.00 H new ATOM 291 N ASP A 153 -4.535 5.231 -6.060 1.00 0.00 N ATOM 292 CA ASP A 153 -5.881 4.985 -6.666 1.00 0.00 C ATOM 293 C ASP A 153 -6.979 4.960 -5.578 1.00 0.00 C ATOM 294 O ASP A 153 -8.151 5.082 -5.880 1.00 0.00 O ATOM 295 CB ASP A 153 -5.866 3.641 -7.395 1.00 0.00 C ATOM 296 CG ASP A 153 -6.799 3.705 -8.604 1.00 0.00 C ATOM 297 OD1 ASP A 153 -7.968 3.998 -8.411 1.00 0.00 O ATOM 298 OD2 ASP A 153 -6.330 3.462 -9.704 1.00 0.00 O ATOM 0 H ASP A 153 -3.866 4.469 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.101 5.793 -7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -4.853 3.401 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.182 2.846 -6.720 1.00 0.00 H new ATOM 303 N ILE A 154 -6.616 4.793 -4.324 1.00 0.00 N ATOM 304 CA ILE A 154 -7.649 4.749 -3.230 1.00 0.00 C ATOM 305 C ILE A 154 -8.021 6.160 -2.789 1.00 0.00 C ATOM 306 O ILE A 154 -9.134 6.408 -2.360 1.00 0.00 O ATOM 307 CB ILE A 154 -7.080 4.012 -1.997 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.702 2.559 -2.414 1.00 0.00 C ATOM 309 CG2 ILE A 154 -8.097 4.058 -0.821 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.777 1.537 -2.002 1.00 0.00 C ATOM 0 H ILE A 154 -5.651 4.685 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.526 4.232 -3.620 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.177 4.506 -1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.559 2.518 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.751 2.287 -1.956 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.681 3.535 0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.297 5.096 -0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -9.026 3.576 -1.125 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.469 0.539 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.902 1.556 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.723 1.791 -2.481 1.00 0.00 H new ATOM 322 N CYS A 155 -7.085 7.061 -2.824 1.00 0.00 N ATOM 323 CA CYS A 155 -7.368 8.425 -2.331 1.00 0.00 C ATOM 324 C CYS A 155 -7.810 9.346 -3.467 1.00 0.00 C ATOM 325 O CYS A 155 -8.991 9.536 -3.669 1.00 0.00 O ATOM 326 CB CYS A 155 -6.118 8.926 -1.635 1.00 0.00 C ATOM 327 SG CYS A 155 -5.869 7.933 -0.129 1.00 0.00 S ATOM 0 H CYS A 155 -6.139 6.909 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.198 8.413 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.255 8.839 -2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.221 9.981 -1.382 1.00 0.00 H new ATOM 332 N GLN A 156 -6.888 9.905 -4.215 1.00 0.00 N ATOM 333 CA GLN A 156 -7.265 10.819 -5.356 1.00 0.00 C ATOM 334 C GLN A 156 -6.038 11.583 -5.870 1.00 0.00 C ATOM 335 O GLN A 156 -6.044 12.078 -6.983 1.00 0.00 O ATOM 336 CB GLN A 156 -8.330 11.850 -4.922 1.00 0.00 C ATOM 337 CG GLN A 156 -9.712 11.428 -5.438 1.00 0.00 C ATOM 338 CD GLN A 156 -10.021 12.168 -6.741 1.00 0.00 C ATOM 339 OE1 GLN A 156 -9.868 11.622 -7.816 1.00 0.00 O ATOM 340 NE2 GLN A 156 -10.452 13.399 -6.692 1.00 0.00 N ATOM 0 H GLN A 156 -5.885 9.771 -4.088 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.671 10.188 -6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.348 11.931 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.073 12.835 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.736 10.351 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.474 11.652 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -10.581 13.859 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -10.660 13.901 -7.555 1.00 0.00 H new ATOM 349 N LYS A 157 -5.003 11.713 -5.075 1.00 0.00 N ATOM 350 CA LYS A 157 -3.810 12.477 -5.537 1.00 0.00 C ATOM 351 C LYS A 157 -2.578 11.575 -5.568 1.00 0.00 C ATOM 352 O LYS A 157 -2.651 10.390 -5.338 1.00 0.00 O ATOM 353 CB LYS A 157 -3.557 13.644 -4.580 1.00 0.00 C ATOM 354 CG LYS A 157 -4.757 14.591 -4.602 1.00 0.00 C ATOM 355 CD LYS A 157 -4.852 15.261 -5.974 1.00 0.00 C ATOM 356 CE LYS A 157 -5.899 16.376 -5.932 1.00 0.00 C ATOM 357 NZ LYS A 157 -7.193 15.864 -6.464 1.00 0.00 N ATOM 0 H LYS A 157 -4.936 11.325 -4.134 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.998 12.852 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.394 13.270 -3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.653 14.178 -4.872 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -5.673 14.040 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.652 15.346 -3.823 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -3.882 15.670 -6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -5.121 14.525 -6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.029 16.729 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -5.562 17.228 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -7.904 16.622 -6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -7.064 15.548 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.515 15.064 -5.882 1.00 0.00 H new ATOM 371 N PHE A 158 -1.454 12.153 -5.886 1.00 0.00 N ATOM 372 CA PHE A 158 -0.166 11.403 -5.988 1.00 0.00 C ATOM 373 C PHE A 158 0.056 10.422 -4.814 1.00 0.00 C ATOM 374 O PHE A 158 -0.680 10.391 -3.847 1.00 0.00 O ATOM 375 CB PHE A 158 0.972 12.433 -6.000 1.00 0.00 C ATOM 376 CG PHE A 158 0.996 13.174 -4.681 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.114 14.237 -4.452 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.878 12.769 -3.676 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.119 14.894 -3.220 1.00 0.00 C ATOM 380 CE2 PHE A 158 1.885 13.430 -2.447 1.00 0.00 C ATOM 381 CZ PHE A 158 1.006 14.492 -2.216 1.00 0.00 C ATOM 0 H PHE A 158 -1.371 13.150 -6.087 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.191 10.805 -6.899 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.927 11.934 -6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.832 13.136 -6.822 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.570 14.549 -5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.554 11.945 -3.850 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.562 15.713 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.571 13.120 -1.673 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.012 15.001 -1.264 1.00 0.00 H new ATOM 391 N LEU A 159 1.115 9.656 -4.907 1.00 0.00 N ATOM 392 CA LEU A 159 1.488 8.685 -3.827 1.00 0.00 C ATOM 393 C LEU A 159 2.870 9.115 -3.320 1.00 0.00 C ATOM 394 O LEU A 159 3.757 9.402 -4.101 1.00 0.00 O ATOM 395 CB LEU A 159 1.577 7.267 -4.423 1.00 0.00 C ATOM 396 CG LEU A 159 1.447 6.173 -3.342 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.450 6.393 -2.206 1.00 0.00 C ATOM 398 CD2 LEU A 159 0.035 6.167 -2.764 1.00 0.00 C ATOM 0 H LEU A 159 1.752 9.662 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 159 0.752 8.677 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.790 7.137 -5.166 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.528 7.152 -4.942 1.00 0.00 H new ATOM 0 HG LEU A 159 1.657 5.215 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.334 5.606 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.464 6.367 -2.606 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.268 7.362 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.043 5.391 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.179 7.137 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.683 5.968 -3.560 1.00 0.00 H new ATOM 410 N LEU A 160 3.044 9.221 -2.022 1.00 0.00 N ATOM 411 CA LEU A 160 4.347 9.703 -1.479 1.00 0.00 C ATOM 412 C LEU A 160 5.016 8.681 -0.557 1.00 0.00 C ATOM 413 O LEU A 160 4.682 8.588 0.607 1.00 0.00 O ATOM 414 CB LEU A 160 4.096 10.977 -0.678 1.00 0.00 C ATOM 415 CG LEU A 160 2.894 10.799 0.268 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.085 11.667 1.512 1.00 0.00 C ATOM 417 CD2 LEU A 160 1.606 11.217 -0.447 1.00 0.00 C ATOM 0 H LEU A 160 2.339 8.994 -1.320 1.00 0.00 H new ATOM 0 HA LEU A 160 5.013 9.876 -2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 160 4.985 11.230 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.910 11.809 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 160 2.823 9.752 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.233 11.539 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 160 3.998 11.368 2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.161 12.714 1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.758 11.089 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.678 12.263 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.463 10.597 -1.332 1.00 0.00 H new ATOM 429 N ASN A 161 5.999 7.958 -1.061 1.00 0.00 N ATOM 430 CA ASN A 161 6.769 6.956 -0.231 1.00 0.00 C ATOM 431 C ASN A 161 5.867 6.250 0.796 1.00 0.00 C ATOM 432 O ASN A 161 6.009 6.439 1.991 1.00 0.00 O ATOM 433 CB ASN A 161 7.903 7.685 0.506 1.00 0.00 C ATOM 434 CG ASN A 161 7.332 8.837 1.335 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.045 9.895 0.813 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.165 8.680 2.621 1.00 0.00 N ATOM 0 H ASN A 161 6.307 8.021 -2.031 1.00 0.00 H new ATOM 0 HA ASN A 161 7.170 6.196 -0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.434 6.988 1.154 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.628 8.067 -0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 161 6.794 9.445 3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.405 7.792 3.062 1.00 0.00 H new ATOM 443 N GLY A 162 4.929 5.463 0.343 1.00 0.00 N ATOM 444 CA GLY A 162 4.014 4.778 1.297 1.00 0.00 C ATOM 445 C GLY A 162 4.203 3.270 1.218 1.00 0.00 C ATOM 446 O GLY A 162 5.293 2.755 1.380 1.00 0.00 O ATOM 0 H GLY A 162 4.758 5.266 -0.643 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.210 5.123 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 162 2.980 5.034 1.068 1.00 0.00 H new ATOM 450 N PHE A 163 3.136 2.564 0.982 1.00 0.00 N ATOM 451 CA PHE A 163 3.207 1.084 0.902 1.00 0.00 C ATOM 452 C PHE A 163 2.767 0.623 -0.490 1.00 0.00 C ATOM 453 O PHE A 163 1.595 0.672 -0.823 1.00 0.00 O ATOM 454 CB PHE A 163 2.249 0.474 1.929 1.00 0.00 C ATOM 455 CG PHE A 163 2.839 0.556 3.316 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.160 1.800 3.875 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.051 -0.616 4.051 1.00 0.00 C ATOM 458 CE1 PHE A 163 3.699 1.868 5.166 1.00 0.00 C ATOM 459 CE2 PHE A 163 3.588 -0.547 5.341 1.00 0.00 C ATOM 460 CZ PHE A 163 3.912 0.695 5.897 1.00 0.00 C ATOM 0 H PHE A 163 2.205 2.956 0.839 1.00 0.00 H new ATOM 0 HA PHE A 163 4.231 0.767 1.099 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.294 1.000 1.902 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.047 -0.566 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 163 2.992 2.706 3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.800 -1.575 3.622 1.00 0.00 H new ATOM 0 HE1 PHE A 163 3.950 2.826 5.597 1.00 0.00 H new ATOM 0 HE2 PHE A 163 3.752 -1.452 5.907 1.00 0.00 H new ATOM 0 HZ PHE A 163 4.327 0.748 6.893 1.00 0.00 H new ATOM 470 N ARG A 164 3.685 0.156 -1.294 1.00 0.00 N ATOM 471 CA ARG A 164 3.308 -0.342 -2.650 1.00 0.00 C ATOM 472 C ARG A 164 3.677 -1.816 -2.757 1.00 0.00 C ATOM 473 O ARG A 164 4.728 -2.229 -2.302 1.00 0.00 O ATOM 474 CB ARG A 164 4.035 0.415 -3.786 1.00 0.00 C ATOM 475 CG ARG A 164 5.405 0.983 -3.364 1.00 0.00 C ATOM 476 CD ARG A 164 6.505 -0.050 -3.631 1.00 0.00 C ATOM 477 NE ARG A 164 6.522 -0.406 -5.080 1.00 0.00 N ATOM 478 CZ ARG A 164 7.469 0.052 -5.855 1.00 0.00 C ATOM 479 NH1 ARG A 164 7.848 1.297 -5.755 1.00 0.00 N ATOM 480 NH2 ARG A 164 8.035 -0.734 -6.729 1.00 0.00 N ATOM 0 H ARG A 164 4.679 0.098 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 164 2.236 -0.181 -2.765 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.174 -0.259 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.402 1.232 -4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.614 1.900 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.389 1.245 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.474 0.352 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.332 -0.943 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 164 5.794 -1.007 -5.466 1.00 0.00 H new ATOM 0 HH11 ARG A 164 7.405 1.912 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 164 8.587 1.655 -6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.738 -1.707 -6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.774 -0.376 -7.334 1.00 0.00 H new ATOM 494 N CYS A 165 2.842 -2.613 -3.381 1.00 0.00 N ATOM 495 CA CYS A 165 3.190 -4.038 -3.539 1.00 0.00 C ATOM 496 C CYS A 165 4.246 -4.115 -4.626 1.00 0.00 C ATOM 497 O CYS A 165 3.992 -3.737 -5.761 1.00 0.00 O ATOM 498 CB CYS A 165 2.007 -4.898 -4.001 1.00 0.00 C ATOM 499 SG CYS A 165 0.400 -4.346 -3.370 1.00 0.00 S ATOM 0 H CYS A 165 1.946 -2.331 -3.780 1.00 0.00 H new ATOM 0 HA CYS A 165 3.521 -4.415 -2.571 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.976 -4.900 -5.091 1.00 0.00 H new ATOM 0 HB3 CYS A 165 2.175 -5.928 -3.685 1.00 0.00 H new ATOM 504 N GLN A 166 5.408 -4.610 -4.293 1.00 0.00 N ATOM 505 CA GLN A 166 6.491 -4.739 -5.301 1.00 0.00 C ATOM 506 C GLN A 166 6.228 -5.961 -6.197 1.00 0.00 C ATOM 507 O GLN A 166 6.974 -6.221 -7.123 1.00 0.00 O ATOM 508 CB GLN A 166 7.823 -4.925 -4.573 1.00 0.00 C ATOM 509 CG GLN A 166 7.720 -6.111 -3.607 1.00 0.00 C ATOM 510 CD GLN A 166 9.043 -6.877 -3.587 1.00 0.00 C ATOM 511 OE1 GLN A 166 10.090 -6.313 -3.842 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.042 -8.148 -3.292 1.00 0.00 N ATOM 0 H GLN A 166 5.652 -4.932 -3.356 1.00 0.00 H new ATOM 0 HA GLN A 166 6.523 -3.842 -5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 166 8.622 -5.099 -5.294 1.00 0.00 H new ATOM 0 HB3 GLN A 166 8.079 -4.018 -4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.479 -5.756 -2.605 1.00 0.00 H new ATOM 0 HG3 GLN A 166 6.910 -6.773 -3.914 1.00 0.00 H new ATOM 0 HE21 GLN A 166 8.164 -8.621 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 166 9.919 -8.668 -3.275 1.00 0.00 H new ATOM 521 N THR A 167 5.181 -6.718 -5.932 1.00 0.00 N ATOM 522 CA THR A 167 4.889 -7.914 -6.764 1.00 0.00 C ATOM 523 C THR A 167 3.567 -7.713 -7.509 1.00 0.00 C ATOM 524 O THR A 167 3.523 -7.814 -8.721 1.00 0.00 O ATOM 525 CB THR A 167 4.789 -9.148 -5.866 1.00 0.00 C ATOM 526 OG1 THR A 167 4.350 -8.754 -4.573 1.00 0.00 O ATOM 527 CG2 THR A 167 6.160 -9.819 -5.758 1.00 0.00 C ATOM 0 H THR A 167 4.522 -6.550 -5.172 1.00 0.00 H new ATOM 0 HA THR A 167 5.692 -8.056 -7.488 1.00 0.00 H new ATOM 0 HB THR A 167 4.077 -9.853 -6.295 1.00 0.00 H new ATOM 0 HG1 THR A 167 5.086 -8.854 -3.933 1.00 0.00 H new ATOM 0 HG21 THR A 167 6.086 -10.698 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 167 6.497 -10.120 -6.750 1.00 0.00 H new ATOM 0 HG23 THR A 167 6.876 -9.117 -5.329 1.00 0.00 H new ATOM 535 N CYS A 168 2.489 -7.425 -6.807 1.00 0.00 N ATOM 536 CA CYS A 168 1.193 -7.220 -7.520 1.00 0.00 C ATOM 537 C CYS A 168 1.209 -5.843 -8.210 1.00 0.00 C ATOM 538 O CYS A 168 0.520 -5.632 -9.189 1.00 0.00 O ATOM 539 CB CYS A 168 -0.015 -7.414 -6.555 1.00 0.00 C ATOM 540 SG CYS A 168 -0.444 -5.915 -5.618 1.00 0.00 S ATOM 0 H CYS A 168 2.455 -7.326 -5.792 1.00 0.00 H new ATOM 0 HA CYS A 168 1.070 -7.976 -8.296 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.883 -7.733 -7.132 1.00 0.00 H new ATOM 0 HB3 CYS A 168 0.215 -8.217 -5.855 1.00 0.00 H new ATOM 545 N GLY A 169 2.018 -4.914 -7.730 1.00 0.00 N ATOM 546 CA GLY A 169 2.097 -3.581 -8.389 1.00 0.00 C ATOM 547 C GLY A 169 0.976 -2.682 -7.894 1.00 0.00 C ATOM 548 O GLY A 169 0.085 -2.324 -8.643 1.00 0.00 O ATOM 0 H GLY A 169 2.619 -5.031 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.062 -3.120 -8.179 1.00 0.00 H new ATOM 0 HA3 GLY A 169 2.028 -3.698 -9.471 1.00 0.00 H new ATOM 552 N TYR A 170 1.018 -2.298 -6.644 1.00 0.00 N ATOM 553 CA TYR A 170 -0.054 -1.394 -6.116 1.00 0.00 C ATOM 554 C TYR A 170 0.597 -0.219 -5.388 1.00 0.00 C ATOM 555 O TYR A 170 1.743 -0.285 -5.006 1.00 0.00 O ATOM 556 CB TYR A 170 -0.977 -2.171 -5.172 1.00 0.00 C ATOM 557 CG TYR A 170 -2.412 -1.733 -5.368 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.979 -1.733 -6.650 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.180 -1.336 -4.266 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.309 -1.336 -6.828 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.510 -0.937 -4.447 1.00 0.00 C ATOM 562 CZ TYR A 170 -5.075 -0.937 -5.728 1.00 0.00 C ATOM 563 OH TYR A 170 -6.387 -0.546 -5.904 1.00 0.00 O ATOM 0 H TYR A 170 1.737 -2.566 -5.972 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.655 -1.013 -6.942 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.886 -3.241 -5.361 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.676 -2.004 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.389 -2.040 -7.501 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -2.746 -1.338 -3.277 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.745 -1.338 -7.816 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -5.101 -0.629 -3.597 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.774 -0.301 -5.038 1.00 0.00 H new ATOM 573 N LYS A 171 -0.122 0.863 -5.223 1.00 0.00 N ATOM 574 CA LYS A 171 0.461 2.074 -4.552 1.00 0.00 C ATOM 575 C LYS A 171 -0.571 2.686 -3.603 1.00 0.00 C ATOM 576 O LYS A 171 -1.655 3.040 -4.026 1.00 0.00 O ATOM 577 CB LYS A 171 0.854 3.139 -5.610 1.00 0.00 C ATOM 578 CG LYS A 171 0.040 2.988 -6.921 1.00 0.00 C ATOM 579 CD LYS A 171 -1.434 3.340 -6.696 1.00 0.00 C ATOM 580 CE LYS A 171 -2.121 3.537 -8.049 1.00 0.00 C ATOM 581 NZ LYS A 171 -2.705 2.244 -8.506 1.00 0.00 N ATOM 0 H LYS A 171 -1.091 0.964 -5.524 1.00 0.00 H new ATOM 0 HA LYS A 171 1.347 1.767 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 171 0.694 4.135 -5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.918 3.053 -5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 171 0.459 3.637 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 171 0.121 1.965 -7.288 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -1.928 2.545 -6.137 1.00 0.00 H new ATOM 0 HD3 LYS A 171 -1.516 4.248 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -2.903 4.291 -7.965 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -1.403 3.903 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 -3.243 2.397 -9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -1.941 1.561 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 -3.339 1.870 -7.771 1.00 0.00 H new ATOM 595 N PHE A 172 -0.272 2.821 -2.319 1.00 0.00 N ATOM 596 CA PHE A 172 -1.309 3.416 -1.420 1.00 0.00 C ATOM 597 C PHE A 172 -0.763 3.795 -0.014 1.00 0.00 C ATOM 598 O PHE A 172 0.132 3.170 0.511 1.00 0.00 O ATOM 599 CB PHE A 172 -2.483 2.427 -1.357 1.00 0.00 C ATOM 600 CG PHE A 172 -2.216 1.281 -0.399 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.293 1.487 0.977 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.923 0.011 -0.900 1.00 0.00 C ATOM 603 CE1 PHE A 172 -2.072 0.434 1.861 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.705 -1.049 -0.018 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.778 -0.841 1.365 1.00 0.00 C ATOM 0 H PHE A 172 0.608 2.555 -1.878 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.644 4.369 -1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.385 2.955 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.674 2.028 -2.353 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.526 2.470 1.360 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.865 -0.151 -1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -2.127 0.601 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.479 -2.032 -0.403 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.608 -1.662 2.046 1.00 0.00 H new ATOM 615 N HIS A 173 -1.313 4.851 0.568 1.00 0.00 N ATOM 616 CA HIS A 173 -0.864 5.360 1.926 1.00 0.00 C ATOM 617 C HIS A 173 -1.478 4.524 3.099 1.00 0.00 C ATOM 618 O HIS A 173 -1.554 3.318 3.030 1.00 0.00 O ATOM 619 CB HIS A 173 -1.289 6.838 2.095 1.00 0.00 C ATOM 620 CG HIS A 173 -1.394 7.571 0.815 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.587 7.620 0.086 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.514 8.382 0.192 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.354 8.475 -0.920 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.106 8.956 -0.893 1.00 0.00 N ATOM 0 H HIS A 173 -2.070 5.393 0.151 1.00 0.00 H new ATOM 0 HA HIS A 173 0.221 5.263 1.967 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.251 6.875 2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.568 7.344 2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.506 8.551 0.506 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.088 8.744 -1.665 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.685 9.615 -1.548 1.00 0.00 H new ATOM 632 N GLU A 174 -1.894 5.162 4.201 1.00 0.00 N ATOM 633 CA GLU A 174 -2.473 4.414 5.362 1.00 0.00 C ATOM 634 C GLU A 174 -4.007 4.311 5.229 1.00 0.00 C ATOM 635 O GLU A 174 -4.629 3.472 5.851 1.00 0.00 O ATOM 636 CB GLU A 174 -2.125 5.156 6.657 1.00 0.00 C ATOM 637 CG GLU A 174 -1.777 4.147 7.754 1.00 0.00 C ATOM 638 CD GLU A 174 -0.871 4.814 8.788 1.00 0.00 C ATOM 639 OE1 GLU A 174 -1.241 5.869 9.277 1.00 0.00 O ATOM 640 OE2 GLU A 174 0.179 4.262 9.073 1.00 0.00 O ATOM 0 H GLU A 174 -1.849 6.173 4.328 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.055 3.407 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.283 5.828 6.487 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.967 5.773 6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -2.687 3.784 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -1.277 3.281 7.321 1.00 0.00 H new ATOM 647 N HIS A 175 -4.618 5.131 4.399 1.00 0.00 N ATOM 648 CA HIS A 175 -6.109 5.059 4.193 1.00 0.00 C ATOM 649 C HIS A 175 -6.436 3.958 3.192 1.00 0.00 C ATOM 650 O HIS A 175 -7.487 3.977 2.571 1.00 0.00 O ATOM 651 CB HIS A 175 -6.581 6.349 3.523 1.00 0.00 C ATOM 652 CG HIS A 175 -6.568 7.485 4.510 1.00 0.00 C ATOM 653 ND1 HIS A 175 -7.749 8.058 5.009 1.00 0.00 N ATOM 654 CD2 HIS A 175 -5.538 8.169 5.099 1.00 0.00 C ATOM 655 CE1 HIS A 175 -7.375 9.035 5.854 1.00 0.00 C ATOM 656 NE2 HIS A 175 -6.043 9.133 5.935 1.00 0.00 N ATOM 0 H HIS A 175 -4.146 5.851 3.852 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.580 4.888 5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.935 6.585 2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.587 6.214 3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -4.488 7.979 4.931 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -8.064 9.663 6.400 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -5.510 9.791 6.503 1.00 0.00 H new ATOM 664 N CYS A 176 -5.514 3.082 2.929 1.00 0.00 N ATOM 665 CA CYS A 176 -5.728 2.105 1.868 1.00 0.00 C ATOM 666 C CYS A 176 -5.025 0.788 2.207 1.00 0.00 C ATOM 667 O CYS A 176 -4.700 0.011 1.332 1.00 0.00 O ATOM 668 CB CYS A 176 -5.164 2.734 0.571 1.00 0.00 C ATOM 669 SG CYS A 176 -4.305 4.356 0.893 1.00 0.00 S ATOM 0 H CYS A 176 -4.620 3.011 3.414 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.785 1.869 1.747 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.464 2.040 0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.976 2.889 -0.139 1.00 0.00 H new ATOM 674 N SER A 177 -4.817 0.523 3.474 1.00 0.00 N ATOM 675 CA SER A 177 -4.163 -0.753 3.886 1.00 0.00 C ATOM 676 C SER A 177 -5.248 -1.770 4.244 1.00 0.00 C ATOM 677 O SER A 177 -5.056 -2.964 4.115 1.00 0.00 O ATOM 678 CB SER A 177 -3.272 -0.505 5.104 1.00 0.00 C ATOM 679 OG SER A 177 -2.699 -1.737 5.522 1.00 0.00 O ATOM 0 H SER A 177 -5.075 1.141 4.243 1.00 0.00 H new ATOM 0 HA SER A 177 -3.551 -1.135 3.069 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.487 0.209 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.856 -0.068 5.914 1.00 0.00 H new ATOM 0 HG SER A 177 -2.126 -1.583 6.302 1.00 0.00 H new ATOM 685 N THR A 178 -6.388 -1.300 4.688 1.00 0.00 N ATOM 686 CA THR A 178 -7.500 -2.225 5.050 1.00 0.00 C ATOM 687 C THR A 178 -8.559 -2.180 3.949 1.00 0.00 C ATOM 688 O THR A 178 -9.200 -3.172 3.651 1.00 0.00 O ATOM 689 CB THR A 178 -8.122 -1.781 6.375 1.00 0.00 C ATOM 690 OG1 THR A 178 -8.438 -0.397 6.308 1.00 0.00 O ATOM 691 CG2 THR A 178 -7.133 -2.025 7.517 1.00 0.00 C ATOM 0 H THR A 178 -6.594 -0.309 4.815 1.00 0.00 H new ATOM 0 HA THR A 178 -7.118 -3.240 5.155 1.00 0.00 H new ATOM 0 HB THR A 178 -9.031 -2.354 6.558 1.00 0.00 H new ATOM 0 HG1 THR A 178 -8.838 -0.111 7.156 1.00 0.00 H new ATOM 0 HG21 THR A 178 -7.580 -1.707 8.459 1.00 0.00 H new ATOM 0 HG22 THR A 178 -6.892 -3.087 7.569 1.00 0.00 H new ATOM 0 HG23 THR A 178 -6.222 -1.455 7.337 1.00 0.00 H new ATOM 699 N LYS A 179 -8.745 -1.035 3.342 1.00 0.00 N ATOM 700 CA LYS A 179 -9.760 -0.911 2.254 1.00 0.00 C ATOM 701 C LYS A 179 -9.202 -1.481 0.940 1.00 0.00 C ATOM 702 O LYS A 179 -9.936 -1.684 -0.008 1.00 0.00 O ATOM 703 CB LYS A 179 -10.117 0.564 2.056 1.00 0.00 C ATOM 704 CG LYS A 179 -11.429 0.669 1.274 1.00 0.00 C ATOM 705 CD LYS A 179 -12.209 1.899 1.742 1.00 0.00 C ATOM 706 CE LYS A 179 -13.073 1.528 2.949 1.00 0.00 C ATOM 707 NZ LYS A 179 -14.245 2.444 3.022 1.00 0.00 N ATOM 0 H LYS A 179 -8.235 -0.178 3.555 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.651 -1.472 2.535 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -10.216 1.058 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.318 1.074 1.518 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -11.223 0.741 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -12.026 -0.231 1.423 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -11.520 2.700 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.837 2.274 0.934 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.410 0.495 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -12.486 1.598 3.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -14.832 2.192 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -13.913 3.425 3.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -14.809 2.356 2.153 1.00 0.00 H new ATOM 721 N VAL A 180 -7.914 -1.747 0.873 1.00 0.00 N ATOM 722 CA VAL A 180 -7.315 -2.311 -0.379 1.00 0.00 C ATOM 723 C VAL A 180 -8.081 -3.596 -0.773 1.00 0.00 C ATOM 724 O VAL A 180 -8.472 -4.352 0.095 1.00 0.00 O ATOM 725 CB VAL A 180 -5.828 -2.620 -0.114 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.698 -3.510 1.123 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.188 -3.324 -1.317 1.00 0.00 C ATOM 0 H VAL A 180 -7.253 -1.596 1.635 1.00 0.00 H new ATOM 0 HA VAL A 180 -7.391 -1.598 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.309 -1.676 0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.646 -3.726 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.119 -2.996 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.237 -4.443 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.139 -3.530 -1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -5.710 -4.261 -1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.259 -2.682 -2.195 1.00 0.00 H new ATOM 737 N PRO A 181 -8.297 -3.816 -2.063 1.00 0.00 N ATOM 738 CA PRO A 181 -9.033 -5.005 -2.527 1.00 0.00 C ATOM 739 C PRO A 181 -8.161 -6.256 -2.412 1.00 0.00 C ATOM 740 O PRO A 181 -7.097 -6.326 -2.985 1.00 0.00 O ATOM 741 CB PRO A 181 -9.363 -4.687 -3.989 1.00 0.00 C ATOM 742 CG PRO A 181 -8.347 -3.617 -4.445 1.00 0.00 C ATOM 743 CD PRO A 181 -7.831 -2.931 -3.165 1.00 0.00 C ATOM 0 HA PRO A 181 -9.926 -5.210 -1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -9.288 -5.582 -4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -10.384 -4.318 -4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -7.526 -4.072 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -8.818 -2.893 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -6.745 -2.841 -3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -8.233 -1.923 -3.063 1.00 0.00 H new ATOM 751 N THR A 182 -8.625 -7.236 -1.655 1.00 0.00 N ATOM 752 CA THR A 182 -7.873 -8.530 -1.441 1.00 0.00 C ATOM 753 C THR A 182 -6.902 -8.399 -0.257 1.00 0.00 C ATOM 754 O THR A 182 -6.502 -9.389 0.325 1.00 0.00 O ATOM 755 CB THR A 182 -7.094 -8.960 -2.698 1.00 0.00 C ATOM 756 OG1 THR A 182 -7.884 -8.708 -3.851 1.00 0.00 O ATOM 757 CG2 THR A 182 -6.769 -10.450 -2.614 1.00 0.00 C ATOM 0 H THR A 182 -9.518 -7.191 -1.164 1.00 0.00 H new ATOM 0 HA THR A 182 -8.616 -9.298 -1.224 1.00 0.00 H new ATOM 0 HB THR A 182 -6.166 -8.393 -2.763 1.00 0.00 H new ATOM 0 HG1 THR A 182 -7.621 -7.851 -4.247 1.00 0.00 H new ATOM 0 HG21 THR A 182 -6.218 -10.753 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 182 -6.162 -10.641 -1.729 1.00 0.00 H new ATOM 0 HG23 THR A 182 -7.695 -11.021 -2.549 1.00 0.00 H new ATOM 765 N MET A 183 -6.524 -7.194 0.113 1.00 0.00 N ATOM 766 CA MET A 183 -5.583 -7.013 1.264 1.00 0.00 C ATOM 767 C MET A 183 -4.265 -7.734 0.974 1.00 0.00 C ATOM 768 O MET A 183 -4.182 -8.945 1.049 1.00 0.00 O ATOM 769 CB MET A 183 -6.210 -7.594 2.536 1.00 0.00 C ATOM 770 CG MET A 183 -5.342 -7.245 3.746 1.00 0.00 C ATOM 771 SD MET A 183 -5.775 -8.323 5.134 1.00 0.00 S ATOM 772 CE MET A 183 -6.879 -7.168 5.980 1.00 0.00 C ATOM 0 H MET A 183 -6.828 -6.329 -0.334 1.00 0.00 H new ATOM 0 HA MET A 183 -5.390 -5.949 1.404 1.00 0.00 H new ATOM 0 HB2 MET A 183 -7.216 -7.196 2.671 1.00 0.00 H new ATOM 0 HB3 MET A 183 -6.305 -8.676 2.445 1.00 0.00 H new ATOM 0 HG2 MET A 183 -4.288 -7.363 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 183 -5.489 -6.201 4.023 1.00 0.00 H new ATOM 0 HE1 MET A 183 -7.270 -7.635 6.884 1.00 0.00 H new ATOM 0 HE2 MET A 183 -6.327 -6.266 6.247 1.00 0.00 H new ATOM 0 HE3 MET A 183 -7.706 -6.906 5.320 1.00 0.00 H new ATOM 782 N CYS A 184 -3.228 -6.998 0.642 1.00 0.00 N ATOM 783 CA CYS A 184 -1.917 -7.641 0.346 1.00 0.00 C ATOM 784 C CYS A 184 -1.444 -8.437 1.568 1.00 0.00 C ATOM 785 O CYS A 184 -1.692 -8.056 2.696 1.00 0.00 O ATOM 786 CB CYS A 184 -0.883 -6.568 0.005 1.00 0.00 C ATOM 787 SG CYS A 184 -1.422 -5.610 -1.436 1.00 0.00 S ATOM 0 H CYS A 184 -3.239 -5.981 0.565 1.00 0.00 H new ATOM 0 HA CYS A 184 -2.032 -8.316 -0.502 1.00 0.00 H new ATOM 0 HB2 CYS A 184 -0.742 -5.905 0.859 1.00 0.00 H new ATOM 0 HB3 CYS A 184 0.081 -7.034 -0.200 1.00 0.00 H new ATOM 792 N VAL A 185 -0.774 -9.541 1.350 1.00 0.00 N ATOM 793 CA VAL A 185 -0.289 -10.364 2.497 1.00 0.00 C ATOM 794 C VAL A 185 0.736 -11.392 1.997 1.00 0.00 C ATOM 795 O VAL A 185 0.717 -12.539 2.394 1.00 0.00 O ATOM 796 CB VAL A 185 -1.486 -11.068 3.156 1.00 0.00 C ATOM 797 CG1 VAL A 185 -2.149 -12.032 2.164 1.00 0.00 C ATOM 798 CG2 VAL A 185 -1.014 -11.847 4.387 1.00 0.00 C ATOM 0 H VAL A 185 -0.543 -9.907 0.426 1.00 0.00 H new ATOM 0 HA VAL A 185 0.195 -9.725 3.235 1.00 0.00 H new ATOM 0 HB VAL A 185 -2.213 -10.314 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 185 -2.995 -12.523 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 185 -2.499 -11.476 1.294 1.00 0.00 H new ATOM 0 HG13 VAL A 185 -1.425 -12.783 1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 185 -1.865 -12.345 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 185 -0.278 -12.593 4.086 1.00 0.00 H new ATOM 0 HG23 VAL A 185 -0.562 -11.159 5.102 1.00 0.00 H new ATOM 808 N ASP A 186 1.629 -10.965 1.129 1.00 0.00 N ATOM 809 CA ASP A 186 2.694 -11.869 0.561 1.00 0.00 C ATOM 810 C ASP A 186 2.124 -13.249 0.184 1.00 0.00 C ATOM 811 O ASP A 186 0.925 -13.435 0.101 1.00 0.00 O ATOM 812 CB ASP A 186 3.845 -12.028 1.576 1.00 0.00 C ATOM 813 CG ASP A 186 3.373 -12.790 2.819 1.00 0.00 C ATOM 814 OD1 ASP A 186 3.308 -14.007 2.753 1.00 0.00 O ATOM 815 OD2 ASP A 186 3.084 -12.144 3.811 1.00 0.00 O ATOM 0 H ASP A 186 1.667 -10.007 0.782 1.00 0.00 H new ATOM 0 HA ASP A 186 3.075 -11.408 -0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 186 4.675 -12.560 1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 186 4.218 -11.046 1.866 1.00 0.00 H new ATOM 820 N TRP A 187 2.986 -14.212 -0.038 1.00 0.00 N ATOM 821 CA TRP A 187 2.523 -15.586 -0.401 1.00 0.00 C ATOM 822 C TRP A 187 1.746 -15.540 -1.722 1.00 0.00 C ATOM 823 O TRP A 187 1.157 -16.549 -2.072 1.00 0.00 O ATOM 824 CB TRP A 187 1.620 -16.133 0.718 1.00 0.00 C ATOM 825 CG TRP A 187 2.062 -17.511 1.103 1.00 0.00 C ATOM 826 CD1 TRP A 187 3.065 -17.795 1.966 1.00 0.00 C ATOM 827 CD2 TRP A 187 1.533 -18.791 0.655 1.00 0.00 C ATOM 828 NE1 TRP A 187 3.185 -19.169 2.076 1.00 0.00 N ATOM 829 CE2 TRP A 187 2.262 -19.827 1.285 1.00 0.00 C ATOM 830 CE3 TRP A 187 0.501 -19.150 -0.229 1.00 0.00 C ATOM 831 CZ2 TRP A 187 1.977 -21.171 1.046 1.00 0.00 C ATOM 832 CZ3 TRP A 187 0.211 -20.503 -0.473 1.00 0.00 C ATOM 833 CH2 TRP A 187 0.947 -21.512 0.164 1.00 0.00 C ATOM 834 OXT TRP A 187 1.759 -14.501 -2.360 1.00 0.00 O ATOM 0 H TRP A 187 3.999 -14.103 0.018 1.00 0.00 H new ATOM 0 HA TRP A 187 3.387 -16.240 -0.521 1.00 0.00 H new ATOM 0 HB2 TRP A 187 1.661 -15.473 1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 187 0.583 -16.155 0.382 1.00 0.00 H new ATOM 0 HD1 TRP A 187 3.673 -17.068 2.484 1.00 0.00 H new ATOM 0 HE1 TRP A 187 3.870 -19.639 2.668 1.00 0.00 H new ATOM 0 HE3 TRP A 187 -0.073 -18.381 -0.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 187 2.548 -21.944 1.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 187 -0.583 -20.767 -1.155 1.00 0.00 H new ATOM 0 HH2 TRP A 187 0.719 -22.550 -0.026 1.00 0.00 H new TER 845 TRP A 187 HETATM 846 ZN ZN A 1 -4.153 6.385 -0.275 1.00 0.00 ZN HETATM 847 ZN ZN A 2 -0.493 -6.478 -3.371 1.00 0.00 ZN