USER MOD reduce.3.24.130724 H: found=0, std=0, add=346, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 339 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 Set 1.1: A 152 CYS SG : rot -147:sc= -0.0854 USER MOD Set 1.2: A 155 CYS SG : rot 145:sc= 1.03 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -3.79! C(o=-5.7!,f=-9.9!) USER MOD Set 1.4: A 176 CYS SG : rot -168:sc= -2.89! USER MOD Set 2.1: A 139 HIS :FLIP no HE2:sc= -1.71! F(o=-4.2,f=-3!) USER MOD Set 2.2: A 165 CYS SG : rot -141:sc= -0.45 USER MOD Set 2.3: A 168 CYS SG : rot 124:sc= -0.804 USER MOD Single : A 140 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.046) USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= -1.09 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= -1.06 K(o=-1.1,f=-2.5!) USER MOD Single : A 166 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 167 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 170 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 ----------------------------------------------------------------- ATOM 50 N HIS A 139 0.172 -11.677 -2.745 1.00 0.00 N ATOM 51 CA HIS A 139 0.330 -10.219 -2.458 1.00 0.00 C ATOM 52 C HIS A 139 1.639 -9.995 -1.685 1.00 0.00 C ATOM 53 O HIS A 139 2.432 -10.900 -1.526 1.00 0.00 O ATOM 54 CB HIS A 139 -0.873 -9.696 -1.664 1.00 0.00 C ATOM 55 CG HIS A 139 -1.880 -9.026 -2.591 1.00 0.00 C ATOM 56 ND1 HIS A 139 -3.187 -8.604 -2.401 1.00 0.00 N flip ATOM 57 CD2 HIS A 139 -1.606 -8.788 -3.952 1.00 0.00 C flip ATOM 58 CE1 HIS A 139 -3.704 -8.154 -3.590 1.00 0.00 C flip ATOM 59 NE2 HIS A 139 -2.728 -8.281 -4.495 1.00 0.00 N flip ATOM 0 HA HIS A 139 0.373 -9.666 -3.396 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.351 -10.520 -1.134 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.536 -8.985 -0.910 1.00 0.00 H new ATOM 0 HD1 HIS A 139 -3.688 -8.625 -1.513 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -0.673 -8.977 -4.462 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -4.700 -7.773 -3.761 1.00 0.00 H new ATOM 67 N ASN A 140 1.888 -8.786 -1.243 1.00 0.00 N ATOM 68 CA ASN A 140 3.160 -8.481 -0.517 1.00 0.00 C ATOM 69 C ASN A 140 3.010 -7.204 0.316 1.00 0.00 C ATOM 70 O ASN A 140 1.981 -6.559 0.304 1.00 0.00 O ATOM 71 CB ASN A 140 4.283 -8.286 -1.540 1.00 0.00 C ATOM 72 CG ASN A 140 5.586 -8.869 -0.990 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.719 -10.069 -0.860 1.00 0.00 O ATOM 74 ND2 ASN A 140 6.558 -8.065 -0.657 1.00 0.00 N ATOM 0 H ASN A 140 1.259 -7.991 -1.355 1.00 0.00 H new ATOM 0 HA ASN A 140 3.395 -9.310 0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 140 4.022 -8.775 -2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.411 -7.225 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 140 7.430 -8.444 -0.287 1.00 0.00 H new ATOM 0 HD22 ASN A 140 6.446 -7.057 -0.766 1.00 0.00 H new ATOM 81 N PHE A 141 4.059 -6.801 0.991 1.00 0.00 N ATOM 82 CA PHE A 141 4.006 -5.529 1.773 1.00 0.00 C ATOM 83 C PHE A 141 5.427 -5.018 2.026 1.00 0.00 C ATOM 84 O PHE A 141 6.155 -5.555 2.840 1.00 0.00 O ATOM 85 CB PHE A 141 3.276 -5.746 3.105 1.00 0.00 C ATOM 86 CG PHE A 141 1.898 -5.116 3.046 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.742 -3.784 2.628 1.00 0.00 C ATOM 88 CD2 PHE A 141 0.778 -5.861 3.417 1.00 0.00 C ATOM 89 CE1 PHE A 141 0.466 -3.209 2.581 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.496 -5.284 3.373 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.653 -3.961 2.954 1.00 0.00 C ATOM 0 H PHE A 141 4.948 -7.298 1.033 1.00 0.00 H new ATOM 0 HA PHE A 141 3.455 -4.785 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.189 -6.812 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.851 -5.308 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 141 2.607 -3.203 2.343 1.00 0.00 H new ATOM 0 HD2 PHE A 141 0.895 -6.885 3.739 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.346 -2.186 2.257 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.360 -5.863 3.664 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.638 -3.519 2.918 1.00 0.00 H new ATOM 101 N ALA A 142 5.820 -3.979 1.333 1.00 0.00 N ATOM 102 CA ALA A 142 7.187 -3.413 1.524 1.00 0.00 C ATOM 103 C ALA A 142 7.104 -1.885 1.539 1.00 0.00 C ATOM 104 O ALA A 142 6.376 -1.290 0.766 1.00 0.00 O ATOM 105 CB ALA A 142 8.092 -3.862 0.374 1.00 0.00 C ATOM 0 H ALA A 142 5.248 -3.497 0.640 1.00 0.00 H new ATOM 0 HA ALA A 142 7.599 -3.767 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.091 -3.448 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.149 -4.950 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.682 -3.508 -0.572 1.00 0.00 H new ATOM 111 N ARG A 143 7.838 -1.247 2.415 1.00 0.00 N ATOM 112 CA ARG A 143 7.800 0.244 2.484 1.00 0.00 C ATOM 113 C ARG A 143 8.973 0.823 1.693 1.00 0.00 C ATOM 114 O ARG A 143 10.121 0.671 2.067 1.00 0.00 O ATOM 115 CB ARG A 143 7.897 0.693 3.947 1.00 0.00 C ATOM 116 CG ARG A 143 7.709 2.215 4.037 1.00 0.00 C ATOM 117 CD ARG A 143 9.057 2.889 4.308 1.00 0.00 C ATOM 118 NE ARG A 143 8.879 4.368 4.313 1.00 0.00 N ATOM 119 CZ ARG A 143 8.897 5.025 5.442 1.00 0.00 C ATOM 120 NH1 ARG A 143 8.061 4.709 6.393 1.00 0.00 N ATOM 121 NH2 ARG A 143 9.751 5.996 5.618 1.00 0.00 N ATOM 0 H ARG A 143 8.462 -1.695 3.086 1.00 0.00 H new ATOM 0 HA ARG A 143 6.863 0.602 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 143 7.137 0.188 4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 143 8.866 0.412 4.360 1.00 0.00 H new ATOM 0 HG2 ARG A 143 7.283 2.594 3.108 1.00 0.00 H new ATOM 0 HG3 ARG A 143 7.004 2.457 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 143 9.456 2.557 5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.780 2.601 3.545 1.00 0.00 H new ATOM 0 HE ARG A 143 8.743 4.868 3.434 1.00 0.00 H new ATOM 0 HH11 ARG A 143 7.394 3.950 6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 143 8.074 5.221 7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 143 10.404 6.242 4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 143 9.765 6.509 6.499 1.00 0.00 H new ATOM 135 N LYS A 144 8.691 1.488 0.600 1.00 0.00 N ATOM 136 CA LYS A 144 9.788 2.084 -0.226 1.00 0.00 C ATOM 137 C LYS A 144 9.316 3.412 -0.826 1.00 0.00 C ATOM 138 O LYS A 144 8.158 3.768 -0.727 1.00 0.00 O ATOM 139 CB LYS A 144 10.173 1.118 -1.354 1.00 0.00 C ATOM 140 CG LYS A 144 8.915 0.619 -2.071 1.00 0.00 C ATOM 141 CD LYS A 144 9.291 -0.498 -3.053 1.00 0.00 C ATOM 142 CE LYS A 144 9.406 0.070 -4.472 1.00 0.00 C ATOM 143 NZ LYS A 144 10.846 0.191 -4.842 1.00 0.00 N ATOM 0 H LYS A 144 7.748 1.644 0.243 1.00 0.00 H new ATOM 0 HA LYS A 144 10.658 2.261 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 144 10.831 1.619 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.728 0.273 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.192 0.249 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.438 1.441 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 144 10.237 -0.952 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.538 -1.285 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 144 8.891 -0.581 -5.179 1.00 0.00 H new ATOM 0 HE3 LYS A 144 8.922 1.045 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.926 0.576 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 11.324 0.828 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 11.294 -0.747 -4.806 1.00 0.00 H new ATOM 157 N THR A 145 10.211 4.148 -1.441 1.00 0.00 N ATOM 158 CA THR A 145 9.823 5.457 -2.044 1.00 0.00 C ATOM 159 C THR A 145 9.905 5.368 -3.574 1.00 0.00 C ATOM 160 O THR A 145 10.791 4.738 -4.121 1.00 0.00 O ATOM 161 CB THR A 145 10.776 6.545 -1.541 1.00 0.00 C ATOM 162 OG1 THR A 145 10.833 6.503 -0.122 1.00 0.00 O ATOM 163 CG2 THR A 145 10.273 7.915 -1.994 1.00 0.00 C ATOM 0 H THR A 145 11.193 3.896 -1.550 1.00 0.00 H new ATOM 0 HA THR A 145 8.801 5.702 -1.755 1.00 0.00 H new ATOM 0 HB THR A 145 11.772 6.374 -1.950 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.444 7.198 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.952 8.689 -1.635 1.00 0.00 H new ATOM 0 HG22 THR A 145 10.231 7.945 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 145 9.277 8.090 -1.587 1.00 0.00 H new ATOM 171 N PHE A 146 8.977 5.986 -4.262 1.00 0.00 N ATOM 172 CA PHE A 146 8.977 5.939 -5.756 1.00 0.00 C ATOM 173 C PHE A 146 9.946 6.975 -6.323 1.00 0.00 C ATOM 174 O PHE A 146 10.613 7.689 -5.601 1.00 0.00 O ATOM 175 CB PHE A 146 7.577 6.270 -6.282 1.00 0.00 C ATOM 176 CG PHE A 146 6.614 5.148 -5.986 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.953 3.821 -6.280 1.00 0.00 C ATOM 178 CD2 PHE A 146 5.369 5.444 -5.425 1.00 0.00 C ATOM 179 CE1 PHE A 146 6.043 2.792 -6.011 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.462 4.418 -5.153 1.00 0.00 C ATOM 181 CZ PHE A 146 4.798 3.090 -5.444 1.00 0.00 C ATOM 0 H PHE A 146 8.215 6.524 -3.850 1.00 0.00 H new ATOM 0 HA PHE A 146 9.279 4.938 -6.064 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.220 7.192 -5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.620 6.445 -7.357 1.00 0.00 H new ATOM 0 HD1 PHE A 146 7.915 3.592 -6.714 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.108 6.468 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 146 6.301 1.769 -6.241 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.501 4.649 -4.718 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.097 2.296 -5.231 1.00 0.00 H new ATOM 191 N LEU A 147 9.992 7.071 -7.625 1.00 0.00 N ATOM 192 CA LEU A 147 10.873 8.068 -8.291 1.00 0.00 C ATOM 193 C LEU A 147 9.999 8.932 -9.202 1.00 0.00 C ATOM 194 O LEU A 147 8.935 8.513 -9.616 1.00 0.00 O ATOM 195 CB LEU A 147 11.936 7.347 -9.125 1.00 0.00 C ATOM 196 CG LEU A 147 11.258 6.350 -10.070 1.00 0.00 C ATOM 197 CD1 LEU A 147 12.030 6.290 -11.389 1.00 0.00 C ATOM 198 CD2 LEU A 147 11.247 4.963 -9.424 1.00 0.00 C ATOM 0 H LEU A 147 9.447 6.491 -8.263 1.00 0.00 H new ATOM 0 HA LEU A 147 11.377 8.686 -7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 147 12.516 8.071 -9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 147 12.635 6.826 -8.470 1.00 0.00 H new ATOM 0 HG LEU A 147 10.234 6.671 -10.262 1.00 0.00 H new ATOM 0 HD11 LEU A 147 11.547 5.581 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 147 12.040 7.278 -11.850 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.054 5.969 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 147 10.765 4.253 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 147 12.271 4.643 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 147 10.697 5.004 -8.484 1.00 0.00 H new ATOM 210 N LYS A 148 10.429 10.129 -9.509 1.00 0.00 N ATOM 211 CA LYS A 148 9.616 11.026 -10.388 1.00 0.00 C ATOM 212 C LYS A 148 8.279 11.351 -9.699 1.00 0.00 C ATOM 213 O LYS A 148 8.179 12.325 -8.977 1.00 0.00 O ATOM 214 CB LYS A 148 9.374 10.353 -11.748 1.00 0.00 C ATOM 215 CG LYS A 148 10.411 10.851 -12.760 1.00 0.00 C ATOM 216 CD LYS A 148 11.567 9.849 -12.845 1.00 0.00 C ATOM 217 CE LYS A 148 12.398 10.122 -14.101 1.00 0.00 C ATOM 218 NZ LYS A 148 12.783 8.827 -14.731 1.00 0.00 N ATOM 0 H LYS A 148 11.312 10.526 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 148 10.159 11.956 -10.557 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.441 9.270 -11.646 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.368 10.578 -12.102 1.00 0.00 H new ATOM 0 HG2 LYS A 148 9.949 10.973 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.786 11.830 -12.460 1.00 0.00 H new ATOM 0 HD2 LYS A 148 12.195 9.928 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.177 8.831 -12.870 1.00 0.00 H new ATOM 0 HE2 LYS A 148 11.825 10.726 -14.805 1.00 0.00 H new ATOM 0 HE3 LYS A 148 13.290 10.693 -13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 13.348 9.011 -15.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.345 8.267 -14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.926 8.299 -14.990 1.00 0.00 H new ATOM 232 N LEU A 149 7.250 10.554 -9.909 1.00 0.00 N ATOM 233 CA LEU A 149 5.936 10.843 -9.254 1.00 0.00 C ATOM 234 C LEU A 149 4.967 9.671 -9.465 1.00 0.00 C ATOM 235 O LEU A 149 5.040 8.957 -10.445 1.00 0.00 O ATOM 236 CB LEU A 149 5.337 12.111 -9.864 1.00 0.00 C ATOM 237 CG LEU A 149 4.191 12.609 -8.982 1.00 0.00 C ATOM 238 CD1 LEU A 149 4.751 13.104 -7.647 1.00 0.00 C ATOM 239 CD2 LEU A 149 3.468 13.760 -9.687 1.00 0.00 C ATOM 0 H LEU A 149 7.267 9.724 -10.501 1.00 0.00 H new ATOM 0 HA LEU A 149 6.095 10.983 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.103 12.881 -9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.973 11.906 -10.871 1.00 0.00 H new ATOM 0 HG LEU A 149 3.491 11.793 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 149 3.934 13.459 -7.019 1.00 0.00 H new ATOM 0 HD12 LEU A 149 5.267 12.287 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.451 13.920 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.651 14.115 -9.059 1.00 0.00 H new ATOM 0 HD22 LEU A 149 4.169 14.575 -9.866 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.068 13.410 -10.639 1.00 0.00 H new ATOM 251 N ALA A 150 4.054 9.486 -8.544 1.00 0.00 N ATOM 252 CA ALA A 150 3.056 8.380 -8.662 1.00 0.00 C ATOM 253 C ALA A 150 1.678 8.928 -8.262 1.00 0.00 C ATOM 254 O ALA A 150 1.504 10.127 -8.171 1.00 0.00 O ATOM 255 CB ALA A 150 3.464 7.232 -7.732 1.00 0.00 C ATOM 0 H ALA A 150 3.957 10.061 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 150 3.016 8.004 -9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.739 6.422 -7.814 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.451 6.866 -8.017 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.493 7.590 -6.703 1.00 0.00 H new ATOM 261 N PHE A 151 0.699 8.076 -8.032 1.00 0.00 N ATOM 262 CA PHE A 151 -0.661 8.579 -7.649 1.00 0.00 C ATOM 263 C PHE A 151 -1.464 7.475 -6.937 1.00 0.00 C ATOM 264 O PHE A 151 -1.591 6.374 -7.438 1.00 0.00 O ATOM 265 CB PHE A 151 -1.427 8.981 -8.908 1.00 0.00 C ATOM 266 CG PHE A 151 -0.848 10.231 -9.531 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.304 11.491 -9.126 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.132 10.127 -10.526 1.00 0.00 C ATOM 269 CE1 PHE A 151 -0.775 12.648 -9.712 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.659 11.283 -11.113 1.00 0.00 C ATOM 271 CZ PHE A 151 0.207 12.544 -10.706 1.00 0.00 C ATOM 0 H PHE A 151 0.785 7.061 -8.093 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.535 9.432 -6.982 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.397 8.165 -9.630 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.475 9.148 -8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.063 11.571 -8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 151 0.481 9.155 -10.840 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.124 13.620 -9.398 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.415 11.202 -11.880 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.615 13.436 -11.158 1.00 0.00 H new ATOM 281 N CYS A 152 -2.016 7.765 -5.777 1.00 0.00 N ATOM 282 CA CYS A 152 -2.820 6.731 -5.040 1.00 0.00 C ATOM 283 C CYS A 152 -4.180 6.505 -5.698 1.00 0.00 C ATOM 284 O CYS A 152 -5.066 7.338 -5.609 1.00 0.00 O ATOM 285 CB CYS A 152 -3.095 7.191 -3.621 1.00 0.00 C ATOM 286 SG CYS A 152 -3.568 5.752 -2.631 1.00 0.00 S ATOM 0 H CYS A 152 -1.945 8.669 -5.311 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.235 5.811 -5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.210 7.666 -3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.891 7.935 -3.612 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.435 6.110 -1.731 1.00 0.00 H new ATOM 291 N ASP A 153 -4.373 5.364 -6.305 1.00 0.00 N ATOM 292 CA ASP A 153 -5.695 5.060 -6.933 1.00 0.00 C ATOM 293 C ASP A 153 -6.803 4.990 -5.859 1.00 0.00 C ATOM 294 O ASP A 153 -7.977 4.979 -6.179 1.00 0.00 O ATOM 295 CB ASP A 153 -5.610 3.714 -7.655 1.00 0.00 C ATOM 296 CG ASP A 153 -4.976 3.910 -9.034 1.00 0.00 C ATOM 297 OD1 ASP A 153 -4.040 4.687 -9.129 1.00 0.00 O ATOM 298 OD2 ASP A 153 -5.437 3.279 -9.971 1.00 0.00 O ATOM 0 H ASP A 153 -3.672 4.628 -6.394 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.940 5.853 -7.640 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.018 3.012 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.605 3.282 -7.759 1.00 0.00 H new ATOM 303 N ILE A 154 -6.446 4.932 -4.592 1.00 0.00 N ATOM 304 CA ILE A 154 -7.479 4.848 -3.509 1.00 0.00 C ATOM 305 C ILE A 154 -7.853 6.244 -3.026 1.00 0.00 C ATOM 306 O ILE A 154 -8.962 6.475 -2.579 1.00 0.00 O ATOM 307 CB ILE A 154 -6.892 4.077 -2.310 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.562 2.624 -2.760 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.864 4.119 -1.097 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.676 1.635 -2.374 1.00 0.00 C ATOM 0 H ILE A 154 -5.480 4.939 -4.264 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.360 4.344 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.968 4.550 -1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.417 2.603 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.623 2.308 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.429 3.569 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.031 5.154 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.814 3.663 -1.376 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.405 0.633 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.804 1.635 -1.292 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.610 1.935 -2.850 1.00 0.00 H new ATOM 322 N CYS A 155 -6.919 7.149 -3.043 1.00 0.00 N ATOM 323 CA CYS A 155 -7.200 8.495 -2.504 1.00 0.00 C ATOM 324 C CYS A 155 -7.597 9.471 -3.614 1.00 0.00 C ATOM 325 O CYS A 155 -8.767 9.620 -3.893 1.00 0.00 O ATOM 326 CB CYS A 155 -5.971 8.943 -1.745 1.00 0.00 C ATOM 327 SG CYS A 155 -5.762 7.842 -0.307 1.00 0.00 S ATOM 0 H CYS A 155 -5.976 7.011 -3.407 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.055 8.469 -1.828 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.091 8.902 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.080 9.978 -1.420 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.495 7.657 -0.082 1.00 0.00 H new ATOM 332 N GLN A 156 -6.650 10.123 -4.250 1.00 0.00 N ATOM 333 CA GLN A 156 -6.989 11.096 -5.360 1.00 0.00 C ATOM 334 C GLN A 156 -5.781 11.974 -5.739 1.00 0.00 C ATOM 335 O GLN A 156 -5.833 12.686 -6.726 1.00 0.00 O ATOM 336 CB GLN A 156 -8.151 12.030 -4.951 1.00 0.00 C ATOM 337 CG GLN A 156 -9.455 11.562 -5.608 1.00 0.00 C ATOM 338 CD GLN A 156 -9.705 12.366 -6.885 1.00 0.00 C ATOM 339 OE1 GLN A 156 -10.178 13.484 -6.832 1.00 0.00 O ATOM 340 NE2 GLN A 156 -9.408 11.838 -8.041 1.00 0.00 N ATOM 0 H GLN A 156 -5.654 10.028 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 156 -7.281 10.490 -6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.261 12.034 -3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -7.929 13.054 -5.252 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.395 10.499 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.288 11.690 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -9.011 10.900 -8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -9.573 12.364 -8.899 1.00 0.00 H new ATOM 349 N LYS A 157 -4.708 11.955 -4.981 1.00 0.00 N ATOM 350 CA LYS A 157 -3.542 12.814 -5.328 1.00 0.00 C ATOM 351 C LYS A 157 -2.327 11.928 -5.591 1.00 0.00 C ATOM 352 O LYS A 157 -2.432 10.725 -5.648 1.00 0.00 O ATOM 353 CB LYS A 157 -3.248 13.755 -4.158 1.00 0.00 C ATOM 354 CG LYS A 157 -4.265 14.902 -4.146 1.00 0.00 C ATOM 355 CD LYS A 157 -4.727 15.172 -2.709 1.00 0.00 C ATOM 356 CE LYS A 157 -6.096 14.530 -2.475 1.00 0.00 C ATOM 357 NZ LYS A 157 -6.842 15.310 -1.449 1.00 0.00 N ATOM 0 H LYS A 157 -4.595 11.384 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 157 -3.764 13.400 -6.220 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.294 13.206 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.237 14.154 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.817 15.801 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -5.121 14.648 -4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.001 14.770 -2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.784 16.246 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -6.660 14.502 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -5.974 13.498 -2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -7.773 14.874 -1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.305 15.315 -0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.970 16.287 -1.781 1.00 0.00 H new ATOM 371 N PHE A 158 -1.185 12.524 -5.771 1.00 0.00 N ATOM 372 CA PHE A 158 0.059 11.752 -6.055 1.00 0.00 C ATOM 373 C PHE A 158 0.297 10.650 -4.999 1.00 0.00 C ATOM 374 O PHE A 158 -0.390 10.560 -4.001 1.00 0.00 O ATOM 375 CB PHE A 158 1.233 12.743 -6.017 1.00 0.00 C ATOM 376 CG PHE A 158 1.352 13.285 -4.612 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.620 14.411 -4.227 1.00 0.00 C ATOM 378 CD2 PHE A 158 2.159 12.622 -3.683 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.701 14.877 -2.913 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.236 13.084 -2.370 1.00 0.00 C ATOM 381 CZ PHE A 158 1.508 14.214 -1.982 1.00 0.00 C ATOM 0 H PHE A 158 -1.056 13.535 -5.733 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.032 11.266 -7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 158 2.158 12.247 -6.312 1.00 0.00 H new ATOM 0 HB3 PHE A 158 1.067 13.555 -6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.007 14.920 -4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.723 11.751 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 158 0.140 15.750 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.858 12.570 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.569 14.574 -0.966 1.00 0.00 H new ATOM 391 N LEU A 159 1.308 9.853 -5.216 1.00 0.00 N ATOM 392 CA LEU A 159 1.678 8.779 -4.245 1.00 0.00 C ATOM 393 C LEU A 159 3.098 9.068 -3.757 1.00 0.00 C ATOM 394 O LEU A 159 3.974 9.386 -4.541 1.00 0.00 O ATOM 395 CB LEU A 159 1.662 7.415 -4.951 1.00 0.00 C ATOM 396 CG LEU A 159 1.332 6.291 -3.956 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.372 6.250 -2.832 1.00 0.00 C ATOM 398 CD2 LEU A 159 -0.059 6.515 -3.359 1.00 0.00 C ATOM 0 H LEU A 159 1.906 9.901 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 159 0.973 8.758 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.925 7.424 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.632 7.227 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 159 1.349 5.340 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.124 5.449 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.360 6.069 -3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.374 7.203 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.286 5.715 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.082 7.473 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.801 6.517 -4.157 1.00 0.00 H new ATOM 410 N LEU A 160 3.333 8.978 -2.474 1.00 0.00 N ATOM 411 CA LEU A 160 4.687 9.268 -1.937 1.00 0.00 C ATOM 412 C LEU A 160 5.242 8.025 -1.249 1.00 0.00 C ATOM 413 O LEU A 160 4.642 6.971 -1.286 1.00 0.00 O ATOM 414 CB LEU A 160 4.568 10.399 -0.920 1.00 0.00 C ATOM 415 CG LEU A 160 3.531 10.039 0.150 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.988 10.576 1.508 1.00 0.00 C ATOM 417 CD2 LEU A 160 2.180 10.660 -0.212 1.00 0.00 C ATOM 0 H LEU A 160 2.639 8.714 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 160 5.357 9.556 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.536 10.581 -0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.278 11.322 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 160 3.430 8.955 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.250 10.319 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.948 10.132 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.092 11.660 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.445 10.402 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 160 2.281 11.744 -0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.850 10.277 -1.178 1.00 0.00 H new ATOM 429 N ASN A 161 6.388 8.141 -0.614 1.00 0.00 N ATOM 430 CA ASN A 161 6.991 6.963 0.088 1.00 0.00 C ATOM 431 C ASN A 161 5.956 6.349 1.033 1.00 0.00 C ATOM 432 O ASN A 161 5.700 6.865 2.105 1.00 0.00 O ATOM 433 CB ASN A 161 8.213 7.416 0.892 1.00 0.00 C ATOM 434 CG ASN A 161 7.822 8.576 1.808 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.699 9.700 1.364 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.621 8.350 3.077 1.00 0.00 N ATOM 0 H ASN A 161 6.931 9.003 -0.553 1.00 0.00 H new ATOM 0 HA ASN A 161 7.298 6.220 -0.648 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.600 6.586 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 161 9.011 7.725 0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 161 7.360 9.117 3.697 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.724 7.406 3.450 1.00 0.00 H new ATOM 443 N GLY A 162 5.348 5.264 0.628 1.00 0.00 N ATOM 444 CA GLY A 162 4.311 4.630 1.493 1.00 0.00 C ATOM 445 C GLY A 162 4.468 3.115 1.479 1.00 0.00 C ATOM 446 O GLY A 162 5.547 2.591 1.689 1.00 0.00 O ATOM 0 H GLY A 162 5.524 4.792 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.401 5.003 2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.316 4.903 1.140 1.00 0.00 H new ATOM 450 N PHE A 163 3.394 2.409 1.244 1.00 0.00 N ATOM 451 CA PHE A 163 3.466 0.923 1.227 1.00 0.00 C ATOM 452 C PHE A 163 2.958 0.393 -0.112 1.00 0.00 C ATOM 453 O PHE A 163 1.791 0.529 -0.452 1.00 0.00 O ATOM 454 CB PHE A 163 2.601 0.360 2.357 1.00 0.00 C ATOM 455 CG PHE A 163 3.440 0.189 3.600 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.642 1.274 4.462 1.00 0.00 C ATOM 457 CD2 PHE A 163 4.014 -1.055 3.892 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.420 1.115 5.615 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.792 -1.213 5.045 1.00 0.00 C ATOM 460 CZ PHE A 163 4.996 -0.128 5.907 1.00 0.00 C ATOM 0 H PHE A 163 2.469 2.800 1.063 1.00 0.00 H new ATOM 0 HA PHE A 163 4.502 0.612 1.366 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.767 1.032 2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.174 -0.598 2.059 1.00 0.00 H new ATOM 0 HD1 PHE A 163 3.198 2.233 4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 163 3.856 -1.892 3.228 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.576 1.952 6.280 1.00 0.00 H new ATOM 0 HE2 PHE A 163 5.235 -2.172 5.270 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.597 -0.250 6.796 1.00 0.00 H new ATOM 470 N ARG A 164 3.834 -0.198 -0.880 1.00 0.00 N ATOM 471 CA ARG A 164 3.433 -0.746 -2.203 1.00 0.00 C ATOM 472 C ARG A 164 3.680 -2.249 -2.235 1.00 0.00 C ATOM 473 O ARG A 164 4.652 -2.747 -1.699 1.00 0.00 O ATOM 474 CB ARG A 164 4.241 -0.109 -3.340 1.00 0.00 C ATOM 475 CG ARG A 164 5.701 0.136 -2.920 1.00 0.00 C ATOM 476 CD ARG A 164 5.807 1.416 -2.081 1.00 0.00 C ATOM 477 NE ARG A 164 6.268 2.542 -2.931 1.00 0.00 N ATOM 478 CZ ARG A 164 5.895 3.757 -2.647 1.00 0.00 C ATOM 479 NH1 ARG A 164 4.655 4.010 -2.343 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.761 4.724 -2.682 1.00 0.00 N ATOM 0 H ARG A 164 4.818 -0.324 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 164 2.375 -0.522 -2.343 1.00 0.00 H new ATOM 0 HB2 ARG A 164 4.216 -0.759 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.781 0.835 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 164 6.069 -0.714 -2.346 1.00 0.00 H new ATOM 0 HG3 ARG A 164 6.332 0.220 -3.805 1.00 0.00 H new ATOM 0 HD2 ARG A 164 4.838 1.654 -1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.503 1.264 -1.256 1.00 0.00 H new ATOM 0 HE ARG A 164 6.873 2.365 -3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 164 3.970 3.255 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 164 4.369 4.964 -2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.731 4.531 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.471 5.676 -2.460 1.00 0.00 H new ATOM 494 N CYS A 165 2.810 -2.963 -2.884 1.00 0.00 N ATOM 495 CA CYS A 165 2.965 -4.432 -3.003 1.00 0.00 C ATOM 496 C CYS A 165 3.814 -4.715 -4.245 1.00 0.00 C ATOM 497 O CYS A 165 3.502 -4.262 -5.334 1.00 0.00 O ATOM 498 CB CYS A 165 1.569 -5.042 -3.139 1.00 0.00 C ATOM 499 SG CYS A 165 1.650 -6.818 -3.462 1.00 0.00 S ATOM 0 H CYS A 165 1.983 -2.582 -3.345 1.00 0.00 H new ATOM 0 HA CYS A 165 3.457 -4.865 -2.132 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.002 -4.863 -2.225 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.032 -4.548 -3.949 1.00 0.00 H new ATOM 0 HG CYS A 165 0.724 -7.147 -4.313 1.00 0.00 H new ATOM 504 N GLN A 166 4.889 -5.449 -4.078 1.00 0.00 N ATOM 505 CA GLN A 166 5.790 -5.760 -5.234 1.00 0.00 C ATOM 506 C GLN A 166 5.357 -7.057 -5.936 1.00 0.00 C ATOM 507 O GLN A 166 6.152 -7.717 -6.578 1.00 0.00 O ATOM 508 CB GLN A 166 7.225 -5.917 -4.726 1.00 0.00 C ATOM 509 CG GLN A 166 8.200 -5.410 -5.790 1.00 0.00 C ATOM 510 CD GLN A 166 9.628 -5.786 -5.394 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.952 -6.953 -5.285 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.503 -4.843 -5.174 1.00 0.00 N ATOM 0 H GLN A 166 5.182 -5.848 -3.186 1.00 0.00 H new ATOM 0 HA GLN A 166 5.729 -4.941 -5.951 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.358 -5.358 -3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.429 -6.963 -4.499 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.954 -5.843 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.113 -4.328 -5.893 1.00 0.00 H new ATOM 0 HE21 GLN A 166 10.232 -3.864 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 166 11.458 -5.085 -4.911 1.00 0.00 H new ATOM 521 N THR A 167 4.107 -7.416 -5.829 1.00 0.00 N ATOM 522 CA THR A 167 3.606 -8.654 -6.492 1.00 0.00 C ATOM 523 C THR A 167 2.399 -8.300 -7.368 1.00 0.00 C ATOM 524 O THR A 167 2.239 -8.821 -8.456 1.00 0.00 O ATOM 525 CB THR A 167 3.202 -9.673 -5.435 1.00 0.00 C ATOM 526 OG1 THR A 167 4.310 -9.940 -4.583 1.00 0.00 O ATOM 527 CG2 THR A 167 2.753 -10.975 -6.106 1.00 0.00 C ATOM 0 H THR A 167 3.403 -6.898 -5.304 1.00 0.00 H new ATOM 0 HA THR A 167 4.391 -9.084 -7.114 1.00 0.00 H new ATOM 0 HB THR A 167 2.377 -9.268 -4.849 1.00 0.00 H new ATOM 0 HG1 THR A 167 4.049 -10.595 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 167 2.466 -11.698 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 167 1.900 -10.775 -6.755 1.00 0.00 H new ATOM 0 HG23 THR A 167 3.573 -11.380 -6.699 1.00 0.00 H new ATOM 535 N CYS A 168 1.564 -7.402 -6.908 1.00 0.00 N ATOM 536 CA CYS A 168 0.384 -6.988 -7.709 1.00 0.00 C ATOM 537 C CYS A 168 0.643 -5.594 -8.296 1.00 0.00 C ATOM 538 O CYS A 168 0.021 -5.207 -9.267 1.00 0.00 O ATOM 539 CB CYS A 168 -0.894 -6.996 -6.840 1.00 0.00 C ATOM 540 SG CYS A 168 -0.732 -5.886 -5.410 1.00 0.00 S ATOM 0 H CYS A 168 1.655 -6.938 -6.004 1.00 0.00 H new ATOM 0 HA CYS A 168 0.229 -7.695 -8.524 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.748 -6.691 -7.444 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -1.094 -8.010 -6.494 1.00 0.00 H new ATOM 0 HG CYS A 168 -1.709 -5.028 -5.414 1.00 0.00 H new ATOM 545 N GLY A 169 1.567 -4.834 -7.730 1.00 0.00 N ATOM 546 CA GLY A 169 1.858 -3.484 -8.282 1.00 0.00 C ATOM 547 C GLY A 169 0.927 -2.484 -7.624 1.00 0.00 C ATOM 548 O GLY A 169 0.303 -1.674 -8.284 1.00 0.00 O ATOM 0 H GLY A 169 2.121 -5.100 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 169 2.897 -3.214 -8.095 1.00 0.00 H new ATOM 0 HA3 GLY A 169 1.717 -3.478 -9.363 1.00 0.00 H new ATOM 552 N TYR A 170 0.828 -2.541 -6.323 1.00 0.00 N ATOM 553 CA TYR A 170 -0.070 -1.592 -5.613 1.00 0.00 C ATOM 554 C TYR A 170 0.768 -0.472 -5.011 1.00 0.00 C ATOM 555 O TYR A 170 1.876 -0.681 -4.563 1.00 0.00 O ATOM 556 CB TYR A 170 -0.846 -2.324 -4.510 1.00 0.00 C ATOM 557 CG TYR A 170 -2.283 -2.515 -4.943 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.576 -3.301 -6.064 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.320 -1.908 -4.225 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.905 -3.480 -6.466 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.648 -2.089 -4.626 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.941 -2.875 -5.746 1.00 0.00 C ATOM 563 OH TYR A 170 -6.250 -3.055 -6.143 1.00 0.00 O ATOM 0 H TYR A 170 1.328 -3.200 -5.726 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.788 -1.172 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.385 -3.291 -4.307 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -0.808 -1.752 -3.583 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -1.776 -3.769 -6.619 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -3.095 -1.300 -3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.131 -4.085 -7.332 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -5.448 -1.622 -4.071 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.846 -2.569 -5.536 1.00 0.00 H new ATOM 573 N LYS A 171 0.235 0.711 -5.004 1.00 0.00 N ATOM 574 CA LYS A 171 0.966 1.875 -4.439 1.00 0.00 C ATOM 575 C LYS A 171 -0.040 2.683 -3.640 1.00 0.00 C ATOM 576 O LYS A 171 -0.940 3.276 -4.212 1.00 0.00 O ATOM 577 CB LYS A 171 1.530 2.724 -5.583 1.00 0.00 C ATOM 578 CG LYS A 171 0.428 3.061 -6.594 1.00 0.00 C ATOM 579 CD LYS A 171 1.065 3.466 -7.930 1.00 0.00 C ATOM 580 CE LYS A 171 0.266 2.864 -9.086 1.00 0.00 C ATOM 581 NZ LYS A 171 1.142 2.739 -10.285 1.00 0.00 N ATOM 0 H LYS A 171 -0.692 0.926 -5.372 1.00 0.00 H new ATOM 0 HA LYS A 171 1.794 1.556 -3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.960 3.643 -5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.336 2.185 -6.081 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.225 2.200 -6.737 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.193 3.872 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 171 1.088 4.552 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 171 2.098 3.121 -7.971 1.00 0.00 H new ATOM 0 HE2 LYS A 171 -0.122 1.886 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -0.594 3.494 -9.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.598 2.329 -11.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 1.492 3.679 -10.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 1.948 2.121 -10.063 1.00 0.00 H new ATOM 595 N PHE A 172 0.049 2.679 -2.328 1.00 0.00 N ATOM 596 CA PHE A 172 -0.985 3.421 -1.563 1.00 0.00 C ATOM 597 C PHE A 172 -0.527 3.775 -0.127 1.00 0.00 C ATOM 598 O PHE A 172 0.379 3.179 0.422 1.00 0.00 O ATOM 599 CB PHE A 172 -2.244 2.546 -1.600 1.00 0.00 C ATOM 600 CG PHE A 172 -2.095 1.315 -0.731 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.160 1.428 0.656 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.925 0.059 -1.321 1.00 0.00 C ATOM 603 CE1 PHE A 172 -2.051 0.294 1.464 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.819 -1.080 -0.517 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.881 -0.964 0.877 1.00 0.00 C ATOM 0 H PHE A 172 0.768 2.210 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.183 4.394 -2.012 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.102 3.128 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.447 2.244 -2.627 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.296 2.399 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.876 -0.031 -2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -2.098 0.388 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.689 -2.051 -0.972 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.798 -1.844 1.498 1.00 0.00 H new ATOM 615 N HIS A 173 -1.136 4.795 0.448 1.00 0.00 N ATOM 616 CA HIS A 173 -0.751 5.291 1.825 1.00 0.00 C ATOM 617 C HIS A 173 -1.460 4.477 2.958 1.00 0.00 C ATOM 618 O HIS A 173 -1.611 3.281 2.858 1.00 0.00 O ATOM 619 CB HIS A 173 -1.113 6.790 1.975 1.00 0.00 C ATOM 620 CG HIS A 173 -1.285 7.492 0.682 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.533 7.600 0.054 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.415 8.228 -0.040 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.338 8.413 -0.988 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.065 8.814 -1.084 1.00 0.00 N ATOM 0 H HIS A 173 -1.898 5.316 0.015 1.00 0.00 H new ATOM 0 HA HIS A 173 0.326 5.154 1.927 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.034 6.877 2.551 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -0.331 7.288 2.548 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.637 8.336 0.177 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.117 8.712 -1.673 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.665 9.430 -1.792 1.00 0.00 H new ATOM 632 N GLU A 174 -1.873 5.116 4.057 1.00 0.00 N ATOM 633 CA GLU A 174 -2.544 4.374 5.175 1.00 0.00 C ATOM 634 C GLU A 174 -4.075 4.340 4.979 1.00 0.00 C ATOM 635 O GLU A 174 -4.766 3.574 5.623 1.00 0.00 O ATOM 636 CB GLU A 174 -2.220 5.072 6.499 1.00 0.00 C ATOM 637 CG GLU A 174 -2.283 4.057 7.642 1.00 0.00 C ATOM 638 CD GLU A 174 -0.988 3.244 7.676 1.00 0.00 C ATOM 639 OE1 GLU A 174 0.069 3.852 7.720 1.00 0.00 O ATOM 640 OE2 GLU A 174 -1.074 2.027 7.659 1.00 0.00 O ATOM 0 H GLU A 174 -1.767 6.118 4.213 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.176 3.348 5.183 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.228 5.521 6.452 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -2.928 5.881 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -2.426 4.572 8.592 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -3.137 3.394 7.507 1.00 0.00 H new ATOM 647 N HIS A 175 -4.611 5.139 4.077 1.00 0.00 N ATOM 648 CA HIS A 175 -6.094 5.129 3.815 1.00 0.00 C ATOM 649 C HIS A 175 -6.426 4.054 2.789 1.00 0.00 C ATOM 650 O HIS A 175 -7.405 4.161 2.070 1.00 0.00 O ATOM 651 CB HIS A 175 -6.488 6.450 3.159 1.00 0.00 C ATOM 652 CG HIS A 175 -6.518 7.552 4.182 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.386 8.333 4.472 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.519 8.026 4.989 1.00 0.00 C ATOM 655 CE1 HIS A 175 -5.758 9.214 5.417 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.045 9.060 5.757 1.00 0.00 N ATOM 0 H HIS A 175 -4.082 5.800 3.509 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.611 4.960 4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.779 6.697 2.369 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.467 6.353 2.690 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.529 7.644 5.017 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.101 9.954 5.849 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.566 9.601 6.447 1.00 0.00 H new ATOM 664 N CYS A 176 -5.566 3.093 2.619 1.00 0.00 N ATOM 665 CA CYS A 176 -5.764 2.119 1.543 1.00 0.00 C ATOM 666 C CYS A 176 -5.179 0.770 1.952 1.00 0.00 C ATOM 667 O CYS A 176 -4.729 -0.003 1.128 1.00 0.00 O ATOM 668 CB CYS A 176 -5.063 2.693 0.285 1.00 0.00 C ATOM 669 SG CYS A 176 -4.137 4.265 0.663 1.00 0.00 S ATOM 0 H CYS A 176 -4.732 2.949 3.189 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.821 1.954 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.372 1.952 -0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.806 2.886 -0.488 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.780 4.837 -0.449 1.00 0.00 H new ATOM 674 N SER A 177 -5.208 0.480 3.227 1.00 0.00 N ATOM 675 CA SER A 177 -4.676 -0.820 3.723 1.00 0.00 C ATOM 676 C SER A 177 -5.830 -1.739 4.161 1.00 0.00 C ATOM 677 O SER A 177 -5.599 -2.827 4.651 1.00 0.00 O ATOM 678 CB SER A 177 -3.758 -0.561 4.919 1.00 0.00 C ATOM 679 OG SER A 177 -2.719 -1.530 4.934 1.00 0.00 O ATOM 0 H SER A 177 -5.581 1.095 3.950 1.00 0.00 H new ATOM 0 HA SER A 177 -4.121 -1.307 2.921 1.00 0.00 H new ATOM 0 HB2 SER A 177 -3.335 0.441 4.856 1.00 0.00 H new ATOM 0 HB3 SER A 177 -4.328 -0.609 5.847 1.00 0.00 H new ATOM 0 HG SER A 177 -2.129 -1.365 5.699 1.00 0.00 H new ATOM 685 N THR A 178 -7.068 -1.317 3.995 1.00 0.00 N ATOM 686 CA THR A 178 -8.215 -2.182 4.406 1.00 0.00 C ATOM 687 C THR A 178 -9.246 -2.252 3.273 1.00 0.00 C ATOM 688 O THR A 178 -9.739 -3.315 2.945 1.00 0.00 O ATOM 689 CB THR A 178 -8.872 -1.607 5.664 1.00 0.00 C ATOM 690 OG1 THR A 178 -10.041 -2.354 5.970 1.00 0.00 O ATOM 691 CG2 THR A 178 -9.249 -0.144 5.430 1.00 0.00 C ATOM 0 H THR A 178 -7.326 -0.415 3.594 1.00 0.00 H new ATOM 0 HA THR A 178 -7.846 -3.186 4.618 1.00 0.00 H new ATOM 0 HB THR A 178 -8.170 -1.668 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 178 -10.462 -1.988 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 178 -9.716 0.260 6.328 1.00 0.00 H new ATOM 0 HG22 THR A 178 -8.352 0.430 5.198 1.00 0.00 H new ATOM 0 HG23 THR A 178 -9.948 -0.077 4.596 1.00 0.00 H new ATOM 699 N LYS A 179 -9.573 -1.132 2.674 1.00 0.00 N ATOM 700 CA LYS A 179 -10.571 -1.145 1.561 1.00 0.00 C ATOM 701 C LYS A 179 -9.975 -1.850 0.335 1.00 0.00 C ATOM 702 O LYS A 179 -10.695 -2.278 -0.547 1.00 0.00 O ATOM 703 CB LYS A 179 -10.976 0.288 1.200 1.00 0.00 C ATOM 704 CG LYS A 179 -9.747 1.096 0.780 1.00 0.00 C ATOM 705 CD LYS A 179 -9.936 2.557 1.198 1.00 0.00 C ATOM 706 CE LYS A 179 -11.092 3.172 0.405 1.00 0.00 C ATOM 707 NZ LYS A 179 -11.425 4.510 0.970 1.00 0.00 N ATOM 0 H LYS A 179 -9.194 -0.214 2.907 1.00 0.00 H new ATOM 0 HA LYS A 179 -11.458 -1.688 1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -11.705 0.274 0.390 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -11.458 0.763 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -8.851 0.685 1.245 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -9.605 1.030 -0.299 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -10.142 2.616 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -9.019 3.119 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -10.817 3.267 -0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -11.964 2.520 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -12.210 4.928 0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -11.705 4.406 1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -10.593 5.130 0.907 1.00 0.00 H new ATOM 721 N VAL A 180 -8.665 -1.998 0.277 1.00 0.00 N ATOM 722 CA VAL A 180 -8.028 -2.700 -0.887 1.00 0.00 C ATOM 723 C VAL A 180 -8.687 -4.089 -1.039 1.00 0.00 C ATOM 724 O VAL A 180 -8.984 -4.718 -0.042 1.00 0.00 O ATOM 725 CB VAL A 180 -6.515 -2.846 -0.607 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.289 -3.618 0.694 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.825 -3.597 -1.750 1.00 0.00 C ATOM 0 H VAL A 180 -8.013 -1.662 0.986 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.166 -2.135 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 180 -6.092 -1.845 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.219 -3.714 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.754 -3.081 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.733 -4.610 0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.761 -3.690 -1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.263 -4.590 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.960 -3.046 -2.681 1.00 0.00 H new