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 -2:sc= -3.24 USER MOD Set 1.2: A 155 CYS SG : rot 144:sc= 0.903 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -3.06! K(o=-10!,f=-14) USER MOD Set 1.4: A 176 CYS SG : rot 165:sc= -5.02! USER MOD Set 2.1: A 139 HIS : no HD1:sc= -1.7 K(o=-3.8,f=-4.9!) USER MOD Set 2.2: A 165 CYS SG : rot -164:sc= 1 USER MOD Set 2.3: A 168 CYS SG : rot -52:sc= -3.07! USER MOD Single : A 140 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.088) USER MOD Single : A 144 LYS NZ :NH3+ 154:sc= 0.0127 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.154 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= -1.89 X(o=-1.9,f=-1.9!) USER MOD Single : A 166 GLN : amide:sc= -0.0671 X(o=-0.067,f=0) USER MOD Single : A 167 THR OG1 : rot 173:sc= -1.04 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 0.169 -11.266 -3.530 1.00 0.00 N ATOM 51 CA HIS A 139 0.279 -9.866 -3.017 1.00 0.00 C ATOM 52 C HIS A 139 1.579 -9.686 -2.226 1.00 0.00 C ATOM 53 O HIS A 139 2.323 -10.617 -1.991 1.00 0.00 O ATOM 54 CB HIS A 139 -0.938 -9.468 -2.170 1.00 0.00 C ATOM 55 CG HIS A 139 -1.974 -8.762 -3.037 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.735 -8.448 -4.392 1.00 0.00 N ATOM 57 CD2 HIS A 139 -3.281 -8.377 -2.798 1.00 0.00 C ATOM 58 CE1 HIS A 139 -2.879 -7.939 -4.882 1.00 0.00 C ATOM 59 NE2 HIS A 139 -3.834 -7.878 -3.950 1.00 0.00 N ATOM 0 HA HIS A 139 0.300 -9.200 -3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.378 -10.355 -1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.626 -8.813 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -3.789 -8.457 -1.848 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -3.010 -7.618 -5.905 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -4.785 -7.530 -4.071 1.00 0.00 H new ATOM 67 N ASN A 140 1.862 -8.467 -1.861 1.00 0.00 N ATOM 68 CA ASN A 140 3.116 -8.137 -1.131 1.00 0.00 C ATOM 69 C ASN A 140 2.944 -6.802 -0.407 1.00 0.00 C ATOM 70 O ASN A 140 2.000 -6.081 -0.647 1.00 0.00 O ATOM 71 CB ASN A 140 4.257 -8.011 -2.152 1.00 0.00 C ATOM 72 CG ASN A 140 5.474 -8.809 -1.673 1.00 0.00 C ATOM 73 OD1 ASN A 140 6.585 -8.317 -1.699 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.310 -10.027 -1.236 1.00 0.00 N ATOM 0 H ASN A 140 1.259 -7.665 -2.044 1.00 0.00 H new ATOM 0 HA ASN A 140 3.342 -8.918 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.929 -8.379 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.526 -6.963 -2.282 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.114 -10.567 -0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 140 4.378 -10.440 -1.214 1.00 0.00 H new ATOM 81 N PHE A 141 3.879 -6.439 0.428 1.00 0.00 N ATOM 82 CA PHE A 141 3.790 -5.122 1.119 1.00 0.00 C ATOM 83 C PHE A 141 5.182 -4.711 1.600 1.00 0.00 C ATOM 84 O PHE A 141 5.644 -5.148 2.638 1.00 0.00 O ATOM 85 CB PHE A 141 2.825 -5.216 2.303 1.00 0.00 C ATOM 86 CG PHE A 141 1.957 -3.986 2.354 1.00 0.00 C ATOM 87 CD1 PHE A 141 1.174 -3.630 1.246 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.929 -3.205 3.511 1.00 0.00 C ATOM 89 CE1 PHE A 141 0.366 -2.488 1.301 1.00 0.00 C ATOM 90 CE2 PHE A 141 1.122 -2.065 3.567 1.00 0.00 C ATOM 91 CZ PHE A 141 0.342 -1.706 2.463 1.00 0.00 C ATOM 0 H PHE A 141 4.700 -6.997 0.661 1.00 0.00 H new ATOM 0 HA PHE A 141 3.413 -4.371 0.425 1.00 0.00 H new ATOM 0 HB2 PHE A 141 2.204 -6.107 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.385 -5.316 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.194 -4.236 0.352 1.00 0.00 H new ATOM 0 HD2 PHE A 141 2.531 -3.482 4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -0.237 -2.211 0.449 1.00 0.00 H new ATOM 0 HE2 PHE A 141 1.101 -1.462 4.462 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.280 -0.824 2.506 1.00 0.00 H new ATOM 101 N ALA A 142 5.854 -3.881 0.843 1.00 0.00 N ATOM 102 CA ALA A 142 7.223 -3.438 1.239 1.00 0.00 C ATOM 103 C ALA A 142 7.237 -1.921 1.425 1.00 0.00 C ATOM 104 O ALA A 142 6.955 -1.169 0.510 1.00 0.00 O ATOM 105 CB ALA A 142 8.218 -3.826 0.142 1.00 0.00 C ATOM 0 H ALA A 142 5.511 -3.491 -0.035 1.00 0.00 H new ATOM 0 HA ALA A 142 7.504 -3.920 2.176 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.219 -3.504 0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.209 -4.908 0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.935 -3.343 -0.793 1.00 0.00 H new ATOM 111 N ARG A 143 7.562 -1.469 2.609 1.00 0.00 N ATOM 112 CA ARG A 143 7.598 -0.003 2.877 1.00 0.00 C ATOM 113 C ARG A 143 8.760 0.632 2.107 1.00 0.00 C ATOM 114 O ARG A 143 9.910 0.287 2.308 1.00 0.00 O ATOM 115 CB ARG A 143 7.800 0.238 4.377 1.00 0.00 C ATOM 116 CG ARG A 143 9.071 -0.482 4.856 1.00 0.00 C ATOM 117 CD ARG A 143 8.797 -1.194 6.184 1.00 0.00 C ATOM 118 NE ARG A 143 9.292 -0.351 7.308 1.00 0.00 N ATOM 119 CZ ARG A 143 9.035 -0.691 8.542 1.00 0.00 C ATOM 120 NH1 ARG A 143 9.768 -1.594 9.136 1.00 0.00 N ATOM 121 NH2 ARG A 143 8.045 -0.133 9.180 1.00 0.00 N ATOM 0 H ARG A 143 7.805 -2.058 3.406 1.00 0.00 H new ATOM 0 HA ARG A 143 6.657 0.444 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 143 7.881 1.307 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 143 6.935 -0.125 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 143 9.395 -1.204 4.106 1.00 0.00 H new ATOM 0 HG3 ARG A 143 9.882 0.236 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 143 7.729 -1.379 6.297 1.00 0.00 H new ATOM 0 HD3 ARG A 143 9.292 -2.165 6.198 1.00 0.00 H new ATOM 0 HE ARG A 143 9.832 0.492 7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 143 10.541 -2.033 8.636 1.00 0.00 H new ATOM 0 HH12 ARG A 143 9.568 -1.860 10.100 1.00 0.00 H new ATOM 0 HH21 ARG A 143 7.470 0.570 8.715 1.00 0.00 H new ATOM 0 HH22 ARG A 143 7.845 -0.399 10.144 1.00 0.00 H new ATOM 135 N LYS A 144 8.467 1.562 1.237 1.00 0.00 N ATOM 136 CA LYS A 144 9.542 2.236 0.459 1.00 0.00 C ATOM 137 C LYS A 144 8.916 3.352 -0.374 1.00 0.00 C ATOM 138 O LYS A 144 7.711 3.531 -0.372 1.00 0.00 O ATOM 139 CB LYS A 144 10.237 1.220 -0.452 1.00 0.00 C ATOM 140 CG LYS A 144 9.209 0.549 -1.375 1.00 0.00 C ATOM 141 CD LYS A 144 9.443 0.997 -2.818 1.00 0.00 C ATOM 142 CE LYS A 144 10.708 0.327 -3.360 1.00 0.00 C ATOM 143 NZ LYS A 144 11.110 0.981 -4.637 1.00 0.00 N ATOM 0 H LYS A 144 7.521 1.884 1.032 1.00 0.00 H new ATOM 0 HA LYS A 144 10.285 2.658 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.002 1.718 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.743 0.466 0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 144 9.294 -0.535 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.199 0.812 -1.062 1.00 0.00 H new ATOM 0 HD2 LYS A 144 8.585 0.733 -3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 144 9.545 2.081 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS A 144 11.514 0.404 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS A 144 10.527 -0.735 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 12.134 0.866 -4.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 10.600 0.540 -5.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 10.877 1.994 -4.597 1.00 0.00 H new ATOM 157 N THR A 145 9.716 4.111 -1.076 1.00 0.00 N ATOM 158 CA THR A 145 9.157 5.223 -1.895 1.00 0.00 C ATOM 159 C THR A 145 9.426 4.974 -3.383 1.00 0.00 C ATOM 160 O THR A 145 10.109 4.038 -3.754 1.00 0.00 O ATOM 161 CB THR A 145 9.791 6.544 -1.446 1.00 0.00 C ATOM 162 OG1 THR A 145 9.179 7.625 -2.134 1.00 0.00 O ATOM 163 CG2 THR A 145 11.289 6.539 -1.733 1.00 0.00 C ATOM 0 H THR A 145 10.730 4.008 -1.117 1.00 0.00 H new ATOM 0 HA THR A 145 8.078 5.275 -1.751 1.00 0.00 H new ATOM 0 HB THR A 145 9.638 6.660 -0.373 1.00 0.00 H new ATOM 0 HG1 THR A 145 9.585 8.469 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 145 11.725 7.484 -1.408 1.00 0.00 H new ATOM 0 HG22 THR A 145 11.760 5.718 -1.193 1.00 0.00 H new ATOM 0 HG23 THR A 145 11.454 6.412 -2.803 1.00 0.00 H new ATOM 171 N PHE A 146 8.883 5.805 -4.230 1.00 0.00 N ATOM 172 CA PHE A 146 9.084 5.631 -5.697 1.00 0.00 C ATOM 173 C PHE A 146 10.278 6.470 -6.159 1.00 0.00 C ATOM 174 O PHE A 146 10.680 7.409 -5.499 1.00 0.00 O ATOM 175 CB PHE A 146 7.818 6.079 -6.430 1.00 0.00 C ATOM 176 CG PHE A 146 6.652 5.255 -5.942 1.00 0.00 C ATOM 177 CD1 PHE A 146 6.048 5.548 -4.712 1.00 0.00 C ATOM 178 CD2 PHE A 146 6.178 4.191 -6.717 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.974 4.775 -4.261 1.00 0.00 C ATOM 180 CE2 PHE A 146 5.104 3.418 -6.264 1.00 0.00 C ATOM 181 CZ PHE A 146 4.502 3.710 -5.035 1.00 0.00 C ATOM 0 H PHE A 146 8.305 6.603 -3.967 1.00 0.00 H new ATOM 0 HA PHE A 146 9.284 4.583 -5.919 1.00 0.00 H new ATOM 0 HB2 PHE A 146 7.633 7.138 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 146 7.942 5.956 -7.506 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.412 6.370 -4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 146 6.642 3.966 -7.666 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.508 5.001 -3.313 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.739 2.596 -6.862 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.673 3.113 -4.684 1.00 0.00 H new ATOM 191 N LEU A 147 10.847 6.131 -7.289 1.00 0.00 N ATOM 192 CA LEU A 147 12.021 6.895 -7.807 1.00 0.00 C ATOM 193 C LEU A 147 11.625 8.359 -8.028 1.00 0.00 C ATOM 194 O LEU A 147 12.254 9.264 -7.516 1.00 0.00 O ATOM 195 CB LEU A 147 12.478 6.286 -9.135 1.00 0.00 C ATOM 196 CG LEU A 147 13.076 4.899 -8.884 1.00 0.00 C ATOM 197 CD1 LEU A 147 12.727 3.973 -10.050 1.00 0.00 C ATOM 198 CD2 LEU A 147 14.597 5.013 -8.761 1.00 0.00 C ATOM 0 H LEU A 147 10.546 5.354 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 147 12.834 6.845 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 147 11.635 6.211 -9.822 1.00 0.00 H new ATOM 0 HB3 LEU A 147 13.218 6.932 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 147 12.666 4.490 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 147 13.153 2.986 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 147 11.644 3.890 -10.137 1.00 0.00 H new ATOM 0 HD13 LEU A 147 13.135 4.382 -10.974 1.00 0.00 H new ATOM 0 HD21 LEU A 147 15.023 4.026 -8.582 1.00 0.00 H new ATOM 0 HD22 LEU A 147 15.007 5.423 -9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 147 14.846 5.672 -7.929 1.00 0.00 H new ATOM 210 N LYS A 148 10.583 8.590 -8.784 1.00 0.00 N ATOM 211 CA LYS A 148 10.135 9.990 -9.041 1.00 0.00 C ATOM 212 C LYS A 148 8.846 10.257 -8.268 1.00 0.00 C ATOM 213 O LYS A 148 8.826 11.022 -7.320 1.00 0.00 O ATOM 214 CB LYS A 148 9.884 10.181 -10.538 1.00 0.00 C ATOM 215 CG LYS A 148 11.182 10.619 -11.224 1.00 0.00 C ATOM 216 CD LYS A 148 11.539 12.050 -10.795 1.00 0.00 C ATOM 217 CE LYS A 148 12.696 12.020 -9.792 1.00 0.00 C ATOM 218 NZ LYS A 148 13.972 12.330 -10.495 1.00 0.00 N ATOM 0 H LYS A 148 10.022 7.867 -9.235 1.00 0.00 H new ATOM 0 HA LYS A 148 10.907 10.686 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 148 9.524 9.251 -10.978 1.00 0.00 H new ATOM 0 HB3 LYS A 148 9.107 10.930 -10.694 1.00 0.00 H new ATOM 0 HG2 LYS A 148 11.991 9.938 -10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 148 11.066 10.572 -12.307 1.00 0.00 H new ATOM 0 HD2 LYS A 148 11.817 12.642 -11.667 1.00 0.00 H new ATOM 0 HD3 LYS A 148 10.670 12.532 -10.347 1.00 0.00 H new ATOM 0 HE2 LYS A 148 12.521 12.745 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.757 11.039 -9.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 14.758 12.310 -9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 14.140 11.622 -11.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 13.911 13.275 -10.925 1.00 0.00 H new ATOM 232 N LEU A 149 7.770 9.631 -8.666 1.00 0.00 N ATOM 233 CA LEU A 149 6.472 9.839 -7.958 1.00 0.00 C ATOM 234 C LEU A 149 5.399 8.938 -8.572 1.00 0.00 C ATOM 235 O LEU A 149 5.428 8.632 -9.749 1.00 0.00 O ATOM 236 CB LEU A 149 6.044 11.302 -8.093 1.00 0.00 C ATOM 237 CG LEU A 149 5.235 11.713 -6.862 1.00 0.00 C ATOM 238 CD1 LEU A 149 6.167 11.829 -5.654 1.00 0.00 C ATOM 239 CD2 LEU A 149 4.566 13.065 -7.121 1.00 0.00 C ATOM 0 H LEU A 149 7.734 8.983 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 149 6.594 9.590 -6.904 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.921 11.941 -8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 149 5.447 11.435 -8.995 1.00 0.00 H new ATOM 0 HG LEU A 149 4.472 10.961 -6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 149 5.591 12.122 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 149 6.645 10.867 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 149 6.930 12.581 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 149 3.989 13.359 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 149 5.330 13.816 -7.322 1.00 0.00 H new ATOM 0 HD23 LEU A 149 3.902 12.984 -7.982 1.00 0.00 H new ATOM 251 N ALA A 150 4.451 8.517 -7.776 1.00 0.00 N ATOM 252 CA ALA A 150 3.361 7.636 -8.289 1.00 0.00 C ATOM 253 C ALA A 150 2.011 8.327 -8.041 1.00 0.00 C ATOM 254 O ALA A 150 1.948 9.536 -7.928 1.00 0.00 O ATOM 255 CB ALA A 150 3.421 6.290 -7.556 1.00 0.00 C ATOM 0 H ALA A 150 4.385 8.748 -6.785 1.00 0.00 H new ATOM 0 HA ALA A 150 3.480 7.459 -9.358 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.628 5.639 -7.924 1.00 0.00 H new ATOM 0 HB2 ALA A 150 4.388 5.821 -7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 150 3.290 6.452 -6.486 1.00 0.00 H new ATOM 261 N PHE A 151 0.935 7.579 -7.958 1.00 0.00 N ATOM 262 CA PHE A 151 -0.402 8.206 -7.714 1.00 0.00 C ATOM 263 C PHE A 151 -1.332 7.186 -7.041 1.00 0.00 C ATOM 264 O PHE A 151 -1.511 6.085 -7.526 1.00 0.00 O ATOM 265 CB PHE A 151 -1.013 8.646 -9.046 1.00 0.00 C ATOM 266 CG PHE A 151 -0.706 10.104 -9.303 1.00 0.00 C ATOM 267 CD1 PHE A 151 -1.581 11.094 -8.838 1.00 0.00 C ATOM 268 CD2 PHE A 151 0.447 10.465 -10.009 1.00 0.00 C ATOM 269 CE1 PHE A 151 -1.302 12.444 -9.079 1.00 0.00 C ATOM 270 CE2 PHE A 151 0.726 11.816 -10.249 1.00 0.00 C ATOM 271 CZ PHE A 151 -0.148 12.804 -9.785 1.00 0.00 C ATOM 0 H PHE A 151 0.926 6.563 -8.049 1.00 0.00 H new ATOM 0 HA PHE A 151 -0.280 9.073 -7.065 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -0.616 8.035 -9.856 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -2.092 8.491 -9.029 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -2.471 10.815 -8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 151 1.121 9.702 -10.369 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -1.976 13.208 -8.721 1.00 0.00 H new ATOM 0 HE2 PHE A 151 1.616 12.095 -10.793 1.00 0.00 H new ATOM 0 HZ PHE A 151 0.067 13.846 -9.971 1.00 0.00 H new ATOM 281 N CYS A 152 -1.911 7.542 -5.921 1.00 0.00 N ATOM 282 CA CYS A 152 -2.818 6.596 -5.200 1.00 0.00 C ATOM 283 C CYS A 152 -4.168 6.486 -5.904 1.00 0.00 C ATOM 284 O CYS A 152 -4.916 7.439 -5.958 1.00 0.00 O ATOM 285 CB CYS A 152 -3.082 7.109 -3.794 1.00 0.00 C ATOM 286 SG CYS A 152 -3.845 5.781 -2.840 1.00 0.00 S ATOM 0 H CYS A 152 -1.794 8.451 -5.473 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.328 5.622 -5.180 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.151 7.427 -3.325 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.737 7.980 -3.824 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.016 4.742 -3.602 1.00 0.00 H new ATOM 291 N ASP A 153 -4.506 5.326 -6.403 1.00 0.00 N ATOM 292 CA ASP A 153 -5.836 5.154 -7.069 1.00 0.00 C ATOM 293 C ASP A 153 -6.971 5.241 -6.024 1.00 0.00 C ATOM 294 O ASP A 153 -8.121 5.440 -6.363 1.00 0.00 O ATOM 295 CB ASP A 153 -5.887 3.789 -7.758 1.00 0.00 C ATOM 296 CG ASP A 153 -5.366 3.920 -9.191 1.00 0.00 C ATOM 297 OD1 ASP A 153 -4.161 4.014 -9.355 1.00 0.00 O ATOM 298 OD2 ASP A 153 -6.181 3.922 -10.098 1.00 0.00 O ATOM 0 H ASP A 153 -3.922 4.490 -6.380 1.00 0.00 H new ATOM 0 HA ASP A 153 -5.968 5.946 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.284 3.068 -7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.909 3.411 -7.765 1.00 0.00 H new ATOM 303 N ILE A 154 -6.653 5.076 -4.762 1.00 0.00 N ATOM 304 CA ILE A 154 -7.695 5.128 -3.682 1.00 0.00 C ATOM 305 C ILE A 154 -8.005 6.579 -3.313 1.00 0.00 C ATOM 306 O ILE A 154 -9.074 6.883 -2.816 1.00 0.00 O ATOM 307 CB ILE A 154 -7.124 4.429 -2.438 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.696 2.981 -2.829 1.00 0.00 C ATOM 309 CG2 ILE A 154 -8.124 4.467 -1.253 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.757 1.926 -2.466 1.00 0.00 C ATOM 0 H ILE A 154 -5.704 4.905 -4.428 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.606 4.643 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 154 -6.242 4.963 -2.086 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.503 2.941 -3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.760 2.736 -2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.686 3.963 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -8.343 5.503 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -9.046 3.961 -1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.404 0.938 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.933 1.942 -1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.687 2.150 -2.989 1.00 0.00 H new ATOM 322 N CYS A 155 -7.059 7.460 -3.493 1.00 0.00 N ATOM 323 CA CYS A 155 -7.272 8.874 -3.086 1.00 0.00 C ATOM 324 C CYS A 155 -7.322 9.822 -4.290 1.00 0.00 C ATOM 325 O CYS A 155 -7.643 10.984 -4.150 1.00 0.00 O ATOM 326 CB CYS A 155 -6.127 9.251 -2.173 1.00 0.00 C ATOM 327 SG CYS A 155 -6.147 8.165 -0.721 1.00 0.00 S ATOM 0 H CYS A 155 -6.148 7.259 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 155 -8.234 8.966 -2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.178 9.156 -2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -6.218 10.293 -1.865 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.926 7.903 -0.358 1.00 0.00 H new ATOM 332 N GLN A 156 -7.017 9.339 -5.467 1.00 0.00 N ATOM 333 CA GLN A 156 -7.049 10.202 -6.690 1.00 0.00 C ATOM 334 C GLN A 156 -5.985 11.309 -6.622 1.00 0.00 C ATOM 335 O GLN A 156 -5.965 12.187 -7.465 1.00 0.00 O ATOM 336 CB GLN A 156 -8.435 10.838 -6.851 1.00 0.00 C ATOM 337 CG GLN A 156 -9.510 9.752 -6.776 1.00 0.00 C ATOM 338 CD GLN A 156 -10.896 10.397 -6.840 1.00 0.00 C ATOM 339 OE1 GLN A 156 -11.590 10.472 -5.846 1.00 0.00 O ATOM 340 NE2 GLN A 156 -11.330 10.869 -7.976 1.00 0.00 N ATOM 0 H GLN A 156 -6.743 8.371 -5.636 1.00 0.00 H new ATOM 0 HA GLN A 156 -6.833 9.567 -7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.599 11.580 -6.070 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.498 11.361 -7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -9.387 9.047 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -9.404 9.184 -5.851 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -10.747 10.806 -8.811 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -12.252 11.301 -8.030 1.00 0.00 H new ATOM 349 N LYS A 157 -5.089 11.284 -5.653 1.00 0.00 N ATOM 350 CA LYS A 157 -4.040 12.338 -5.584 1.00 0.00 C ATOM 351 C LYS A 157 -2.678 11.659 -5.708 1.00 0.00 C ATOM 352 O LYS A 157 -2.579 10.452 -5.756 1.00 0.00 O ATOM 353 CB LYS A 157 -4.099 13.137 -4.252 1.00 0.00 C ATOM 354 CG LYS A 157 -5.214 12.623 -3.330 1.00 0.00 C ATOM 355 CD LYS A 157 -5.366 13.567 -2.138 1.00 0.00 C ATOM 356 CE LYS A 157 -4.488 13.080 -0.983 1.00 0.00 C ATOM 357 NZ LYS A 157 -5.116 13.463 0.313 1.00 0.00 N ATOM 0 H LYS A 157 -5.047 10.580 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.206 13.048 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -3.140 13.062 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -4.263 14.193 -4.468 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -6.154 12.559 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.978 11.617 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -5.080 14.579 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.409 13.607 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -4.367 11.998 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -3.492 13.516 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -4.520 13.132 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -5.210 14.498 0.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -6.057 13.027 0.385 1.00 0.00 H new ATOM 371 N PHE A 158 -1.639 12.435 -5.764 1.00 0.00 N ATOM 372 CA PHE A 158 -0.255 11.886 -5.888 1.00 0.00 C ATOM 373 C PHE A 158 -0.004 10.747 -4.868 1.00 0.00 C ATOM 374 O PHE A 158 -0.713 10.598 -3.892 1.00 0.00 O ATOM 375 CB PHE A 158 0.721 13.041 -5.601 1.00 0.00 C ATOM 376 CG PHE A 158 0.633 13.393 -4.132 1.00 0.00 C ATOM 377 CD1 PHE A 158 -0.423 14.176 -3.654 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.575 12.869 -3.245 1.00 0.00 C ATOM 379 CE1 PHE A 158 -0.533 14.436 -2.286 1.00 0.00 C ATOM 380 CE2 PHE A 158 1.471 13.138 -1.879 1.00 0.00 C ATOM 381 CZ PHE A 158 0.417 13.920 -1.397 1.00 0.00 C ATOM 0 H PHE A 158 -1.687 13.453 -5.729 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.115 11.474 -6.887 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.739 12.749 -5.860 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.472 13.908 -6.213 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -1.152 14.579 -4.341 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.384 12.256 -3.615 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -1.351 15.035 -1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.206 12.742 -1.194 1.00 0.00 H new ATOM 0 HZ PHE A 158 0.336 14.126 -0.340 1.00 0.00 H new ATOM 391 N LEU A 159 1.041 9.999 -5.079 1.00 0.00 N ATOM 392 CA LEU A 159 1.423 8.911 -4.128 1.00 0.00 C ATOM 393 C LEU A 159 2.818 9.259 -3.606 1.00 0.00 C ATOM 394 O LEU A 159 3.684 9.655 -4.363 1.00 0.00 O ATOM 395 CB LEU A 159 1.461 7.569 -4.874 1.00 0.00 C ATOM 396 CG LEU A 159 1.376 6.362 -3.914 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.500 6.398 -2.883 1.00 0.00 C ATOM 398 CD2 LEU A 159 0.037 6.346 -3.181 1.00 0.00 C ATOM 0 H LEU A 159 1.660 10.095 -5.884 1.00 0.00 H new ATOM 0 HA LEU A 159 0.709 8.825 -3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 159 0.634 7.526 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 159 2.381 7.505 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 159 1.473 5.461 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.414 5.536 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 159 3.463 6.369 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.427 7.314 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -0.001 5.487 -2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -0.072 7.263 -2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.774 6.276 -3.906 1.00 0.00 H new ATOM 410 N LEU A 160 3.034 9.146 -2.323 1.00 0.00 N ATOM 411 CA LEU A 160 4.352 9.502 -1.753 1.00 0.00 C ATOM 412 C LEU A 160 4.980 8.272 -1.089 1.00 0.00 C ATOM 413 O LEU A 160 4.430 7.190 -1.131 1.00 0.00 O ATOM 414 CB LEU A 160 4.126 10.600 -0.715 1.00 0.00 C ATOM 415 CG LEU A 160 3.166 10.108 0.383 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.689 10.538 1.756 1.00 0.00 C ATOM 417 CD2 LEU A 160 1.775 10.708 0.164 1.00 0.00 C ATOM 0 H LEU A 160 2.345 8.819 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 160 5.027 9.851 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.078 10.892 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 160 3.714 11.486 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 160 3.104 9.021 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 160 3.007 10.188 2.531 1.00 0.00 H new ATOM 0 HD12 LEU A 160 4.677 10.107 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 160 3.756 11.625 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 160 1.100 10.356 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 160 1.838 11.796 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 160 1.395 10.400 -0.810 1.00 0.00 H new ATOM 429 N ASN A 161 6.127 8.434 -0.474 1.00 0.00 N ATOM 430 CA ASN A 161 6.806 7.283 0.209 1.00 0.00 C ATOM 431 C ASN A 161 5.805 6.581 1.144 1.00 0.00 C ATOM 432 O ASN A 161 5.588 7.017 2.259 1.00 0.00 O ATOM 433 CB ASN A 161 7.985 7.818 1.035 1.00 0.00 C ATOM 434 CG ASN A 161 7.512 8.942 1.967 1.00 0.00 C ATOM 435 OD1 ASN A 161 7.161 8.700 3.104 1.00 0.00 O ATOM 436 ND2 ASN A 161 7.509 10.174 1.535 1.00 0.00 N ATOM 0 H ASN A 161 6.627 9.321 -0.415 1.00 0.00 H new ATOM 0 HA ASN A 161 7.167 6.573 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.424 7.011 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.765 8.190 0.371 1.00 0.00 H new ATOM 0 HD21 ASN A 161 7.212 10.930 2.152 1.00 0.00 H new ATOM 0 HD22 ASN A 161 7.803 10.380 0.580 1.00 0.00 H new ATOM 443 N GLY A 162 5.173 5.518 0.698 1.00 0.00 N ATOM 444 CA GLY A 162 4.173 4.837 1.571 1.00 0.00 C ATOM 445 C GLY A 162 4.328 3.323 1.480 1.00 0.00 C ATOM 446 O GLY A 162 5.300 2.759 1.948 1.00 0.00 O ATOM 0 H GLY A 162 5.307 5.100 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.303 5.160 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.165 5.124 1.272 1.00 0.00 H new ATOM 450 N PHE A 163 3.361 2.661 0.899 1.00 0.00 N ATOM 451 CA PHE A 163 3.431 1.179 0.793 1.00 0.00 C ATOM 452 C PHE A 163 2.885 0.710 -0.560 1.00 0.00 C ATOM 453 O PHE A 163 1.697 0.807 -0.826 1.00 0.00 O ATOM 454 CB PHE A 163 2.570 0.559 1.897 1.00 0.00 C ATOM 455 CG PHE A 163 3.311 0.577 3.211 1.00 0.00 C ATOM 456 CD1 PHE A 163 3.451 1.774 3.924 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.845 -0.610 3.723 1.00 0.00 C ATOM 458 CE1 PHE A 163 4.129 1.783 5.149 1.00 0.00 C ATOM 459 CE2 PHE A 163 4.520 -0.602 4.949 1.00 0.00 C ATOM 460 CZ PHE A 163 4.664 0.594 5.662 1.00 0.00 C ATOM 0 H PHE A 163 2.527 3.086 0.494 1.00 0.00 H new ATOM 0 HA PHE A 163 4.472 0.871 0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.635 1.111 1.991 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.310 -0.466 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 163 3.036 2.690 3.529 1.00 0.00 H new ATOM 0 HD2 PHE A 163 3.736 -1.533 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 163 4.240 2.706 5.698 1.00 0.00 H new ATOM 0 HE2 PHE A 163 4.930 -1.519 5.345 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.187 0.600 6.607 1.00 0.00 H new ATOM 470 N ARG A 164 3.735 0.179 -1.404 1.00 0.00 N ATOM 471 CA ARG A 164 3.256 -0.337 -2.721 1.00 0.00 C ATOM 472 C ARG A 164 3.549 -1.834 -2.809 1.00 0.00 C ATOM 473 O ARG A 164 4.571 -2.312 -2.355 1.00 0.00 O ATOM 474 CB ARG A 164 3.930 0.362 -3.917 1.00 0.00 C ATOM 475 CG ARG A 164 5.362 0.826 -3.596 1.00 0.00 C ATOM 476 CD ARG A 164 6.340 -0.336 -3.797 1.00 0.00 C ATOM 477 NE ARG A 164 7.126 -0.108 -5.042 1.00 0.00 N ATOM 478 CZ ARG A 164 7.861 -1.067 -5.533 1.00 0.00 C ATOM 479 NH1 ARG A 164 8.656 -1.744 -4.752 1.00 0.00 N ATOM 480 NH2 ARG A 164 7.802 -1.348 -6.807 1.00 0.00 N ATOM 0 H ARG A 164 4.737 0.081 -1.238 1.00 0.00 H new ATOM 0 HA ARG A 164 2.186 -0.134 -2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 164 3.954 -0.321 -4.766 1.00 0.00 H new ATOM 0 HB3 ARG A 164 3.331 1.222 -4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 164 5.637 1.661 -4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 164 5.416 1.186 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 164 7.009 -0.416 -2.940 1.00 0.00 H new ATOM 0 HD3 ARG A 164 5.795 -1.278 -3.864 1.00 0.00 H new ATOM 0 HE ARG A 164 7.089 0.798 -5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 164 8.703 -1.524 -3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 164 9.231 -2.494 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 164 7.181 -0.817 -7.418 1.00 0.00 H new ATOM 0 HH22 ARG A 164 8.377 -2.098 -7.191 1.00 0.00 H new ATOM 494 N CYS A 165 2.652 -2.563 -3.403 1.00 0.00 N ATOM 495 CA CYS A 165 2.831 -4.024 -3.562 1.00 0.00 C ATOM 496 C CYS A 165 3.653 -4.263 -4.833 1.00 0.00 C ATOM 497 O CYS A 165 3.263 -3.864 -5.916 1.00 0.00 O ATOM 498 CB CYS A 165 1.435 -4.644 -3.678 1.00 0.00 C ATOM 499 SG CYS A 165 1.522 -6.411 -4.029 1.00 0.00 S ATOM 0 H CYS A 165 1.783 -2.197 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 165 3.355 -4.474 -2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 165 0.886 -4.483 -2.750 1.00 0.00 H new ATOM 0 HB3 CYS A 165 0.878 -4.142 -4.469 1.00 0.00 H new ATOM 0 HG CYS A 165 0.365 -6.827 -4.451 1.00 0.00 H new ATOM 504 N GLN A 166 4.796 -4.892 -4.698 1.00 0.00 N ATOM 505 CA GLN A 166 5.672 -5.145 -5.885 1.00 0.00 C ATOM 506 C GLN A 166 5.293 -6.460 -6.590 1.00 0.00 C ATOM 507 O GLN A 166 6.021 -6.946 -7.435 1.00 0.00 O ATOM 508 CB GLN A 166 7.129 -5.224 -5.422 1.00 0.00 C ATOM 509 CG GLN A 166 8.063 -5.040 -6.622 1.00 0.00 C ATOM 510 CD GLN A 166 9.288 -5.943 -6.461 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.718 -6.578 -7.403 1.00 0.00 O ATOM 512 NE2 GLN A 166 9.872 -6.028 -5.295 1.00 0.00 N ATOM 0 H GLN A 166 5.161 -5.242 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 166 5.538 -4.327 -6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.325 -4.455 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.318 -6.186 -4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 166 7.538 -5.284 -7.545 1.00 0.00 H new ATOM 0 HG3 GLN A 166 8.374 -3.998 -6.698 1.00 0.00 H new ATOM 0 HE21 GLN A 166 9.511 -5.495 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.689 -6.627 -5.176 1.00 0.00 H new ATOM 521 N THR A 167 4.165 -7.035 -6.256 1.00 0.00 N ATOM 522 CA THR A 167 3.737 -8.308 -6.909 1.00 0.00 C ATOM 523 C THR A 167 2.460 -8.070 -7.724 1.00 0.00 C ATOM 524 O THR A 167 2.195 -8.769 -8.684 1.00 0.00 O ATOM 525 CB THR A 167 3.472 -9.364 -5.849 1.00 0.00 C ATOM 526 OG1 THR A 167 4.582 -9.441 -4.967 1.00 0.00 O ATOM 527 CG2 THR A 167 3.253 -10.722 -6.518 1.00 0.00 C ATOM 0 H THR A 167 3.519 -6.674 -5.554 1.00 0.00 H new ATOM 0 HA THR A 167 4.530 -8.652 -7.573 1.00 0.00 H new ATOM 0 HB THR A 167 2.580 -9.093 -5.285 1.00 0.00 H new ATOM 0 HG1 THR A 167 4.366 -10.038 -4.220 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.063 -11.477 -5.755 1.00 0.00 H new ATOM 0 HG22 THR A 167 2.397 -10.663 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 167 4.142 -10.995 -7.086 1.00 0.00 H new ATOM 535 N CYS A 168 1.675 -7.083 -7.358 1.00 0.00 N ATOM 536 CA CYS A 168 0.427 -6.793 -8.120 1.00 0.00 C ATOM 537 C CYS A 168 0.529 -5.402 -8.761 1.00 0.00 C ATOM 538 O CYS A 168 -0.145 -5.118 -9.732 1.00 0.00 O ATOM 539 CB CYS A 168 -0.816 -6.900 -7.205 1.00 0.00 C ATOM 540 SG CYS A 168 -0.824 -5.617 -5.918 1.00 0.00 S ATOM 0 H CYS A 168 1.849 -6.468 -6.563 1.00 0.00 H new ATOM 0 HA CYS A 168 0.311 -7.534 -8.911 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -1.719 -6.814 -7.809 1.00 0.00 H new ATOM 0 HB3 CYS A 168 -0.838 -7.884 -6.737 1.00 0.00 H new ATOM 0 HG CYS A 168 0.311 -5.631 -5.284 1.00 0.00 H new ATOM 545 N GLY A 169 1.376 -4.533 -8.240 1.00 0.00 N ATOM 546 CA GLY A 169 1.514 -3.181 -8.847 1.00 0.00 C ATOM 547 C GLY A 169 0.557 -2.224 -8.156 1.00 0.00 C ATOM 548 O GLY A 169 -0.146 -1.465 -8.796 1.00 0.00 O ATOM 0 H GLY A 169 1.968 -4.709 -7.428 1.00 0.00 H new ATOM 0 HA2 GLY A 169 2.539 -2.826 -8.745 1.00 0.00 H new ATOM 0 HA3 GLY A 169 1.297 -3.224 -9.914 1.00 0.00 H new ATOM 552 N TYR A 170 0.527 -2.254 -6.851 1.00 0.00 N ATOM 553 CA TYR A 170 -0.385 -1.342 -6.111 1.00 0.00 C ATOM 554 C TYR A 170 0.445 -0.272 -5.410 1.00 0.00 C ATOM 555 O TYR A 170 1.628 -0.441 -5.178 1.00 0.00 O ATOM 556 CB TYR A 170 -1.199 -2.137 -5.081 1.00 0.00 C ATOM 557 CG TYR A 170 -2.631 -2.268 -5.559 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.935 -3.098 -6.644 1.00 0.00 C ATOM 559 CD2 TYR A 170 -3.652 -1.559 -4.913 1.00 0.00 C ATOM 560 CE1 TYR A 170 -4.258 -3.218 -7.084 1.00 0.00 C ATOM 561 CE2 TYR A 170 -4.974 -1.679 -5.354 1.00 0.00 C ATOM 562 CZ TYR A 170 -5.279 -2.508 -6.439 1.00 0.00 C ATOM 563 OH TYR A 170 -6.584 -2.626 -6.873 1.00 0.00 O ATOM 0 H TYR A 170 1.094 -2.870 -6.268 1.00 0.00 H new ATOM 0 HA TYR A 170 -1.076 -0.869 -6.809 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.760 -3.125 -4.939 1.00 0.00 H new ATOM 0 HB3 TYR A 170 -1.172 -1.634 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.149 -3.646 -7.142 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -3.418 -0.920 -4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.492 -3.858 -7.921 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -5.760 -1.131 -4.856 1.00 0.00 H new ATOM 0 HH TYR A 170 -7.166 -2.068 -6.316 1.00 0.00 H new ATOM 573 N LYS A 171 -0.164 0.833 -5.093 1.00 0.00 N ATOM 574 CA LYS A 171 0.574 1.935 -4.421 1.00 0.00 C ATOM 575 C LYS A 171 -0.426 2.838 -3.715 1.00 0.00 C ATOM 576 O LYS A 171 -1.206 3.518 -4.359 1.00 0.00 O ATOM 577 CB LYS A 171 1.334 2.744 -5.475 1.00 0.00 C ATOM 578 CG LYS A 171 0.376 3.203 -6.581 1.00 0.00 C ATOM 579 CD LYS A 171 1.152 3.373 -7.889 1.00 0.00 C ATOM 580 CE LYS A 171 0.278 2.938 -9.066 1.00 0.00 C ATOM 581 NZ LYS A 171 0.967 3.266 -10.347 1.00 0.00 N ATOM 0 H LYS A 171 -1.150 1.022 -5.272 1.00 0.00 H new ATOM 0 HA LYS A 171 1.278 1.527 -3.696 1.00 0.00 H new ATOM 0 HB2 LYS A 171 1.805 3.610 -5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 171 2.132 2.138 -5.903 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.423 2.473 -6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -0.096 4.145 -6.301 1.00 0.00 H new ATOM 0 HD2 LYS A 171 1.453 4.413 -8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 171 2.065 2.778 -7.862 1.00 0.00 H new ATOM 0 HE2 LYS A 171 0.082 1.867 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS A 171 -0.688 3.442 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 0.372 2.970 -11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 1.132 4.291 -10.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 1.878 2.766 -10.389 1.00 0.00 H new ATOM 595 N PHE A 172 -0.429 2.854 -2.402 1.00 0.00 N ATOM 596 CA PHE A 172 -1.411 3.730 -1.700 1.00 0.00 C ATOM 597 C PHE A 172 -0.944 4.090 -0.285 1.00 0.00 C ATOM 598 O PHE A 172 0.089 3.651 0.180 1.00 0.00 O ATOM 599 CB PHE A 172 -2.773 3.044 -1.653 1.00 0.00 C ATOM 600 CG PHE A 172 -2.650 1.616 -1.171 1.00 0.00 C ATOM 601 CD1 PHE A 172 -2.234 1.347 0.137 1.00 0.00 C ATOM 602 CD2 PHE A 172 -2.987 0.563 -2.028 1.00 0.00 C ATOM 603 CE1 PHE A 172 -2.151 0.027 0.585 1.00 0.00 C ATOM 604 CE2 PHE A 172 -2.903 -0.759 -1.578 1.00 0.00 C ATOM 605 CZ PHE A 172 -2.485 -1.027 -0.272 1.00 0.00 C ATOM 0 H PHE A 172 0.191 2.311 -1.801 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.493 4.661 -2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.439 3.598 -0.991 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -3.225 3.058 -2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -1.977 2.160 0.800 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -3.312 0.771 -3.037 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.828 -0.180 1.595 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -3.161 -1.572 -2.240 1.00 0.00 H new ATOM 0 HZ PHE A 172 -2.420 -2.047 0.076 1.00 0.00 H new ATOM 615 N HIS A 173 -1.698 4.935 0.376 1.00 0.00 N ATOM 616 CA HIS A 173 -1.322 5.404 1.749 1.00 0.00 C ATOM 617 C HIS A 173 -2.007 4.559 2.850 1.00 0.00 C ATOM 618 O HIS A 173 -2.448 3.451 2.614 1.00 0.00 O ATOM 619 CB HIS A 173 -1.735 6.877 1.926 1.00 0.00 C ATOM 620 CG HIS A 173 -1.819 7.596 0.626 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.999 7.660 -0.126 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.899 8.346 -0.025 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.715 8.458 -1.167 1.00 0.00 C ATOM 624 NE2 HIS A 173 -1.454 8.888 -1.143 1.00 0.00 N ATOM 0 H HIS A 173 -2.570 5.325 0.018 1.00 0.00 H new ATOM 0 HA HIS A 173 -0.242 5.294 1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -2.701 6.924 2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 173 -1.015 7.380 2.572 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.122 8.492 0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -3.427 8.721 -1.936 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.999 9.498 -1.822 1.00 0.00 H new ATOM 632 N GLU A 174 -2.084 5.089 4.061 1.00 0.00 N ATOM 633 CA GLU A 174 -2.720 4.347 5.200 1.00 0.00 C ATOM 634 C GLU A 174 -4.244 4.277 5.017 1.00 0.00 C ATOM 635 O GLU A 174 -4.894 3.385 5.530 1.00 0.00 O ATOM 636 CB GLU A 174 -2.403 5.069 6.512 1.00 0.00 C ATOM 637 CG GLU A 174 -2.326 4.052 7.652 1.00 0.00 C ATOM 638 CD GLU A 174 -2.830 4.694 8.945 1.00 0.00 C ATOM 639 OE1 GLU A 174 -4.024 4.635 9.187 1.00 0.00 O ATOM 640 OE2 GLU A 174 -2.012 5.232 9.673 1.00 0.00 O ATOM 0 H GLU A 174 -1.728 6.013 4.304 1.00 0.00 H new ATOM 0 HA GLU A 174 -2.322 3.332 5.223 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.458 5.605 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -3.172 5.812 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 174 -2.926 3.174 7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 174 -1.299 3.710 7.780 1.00 0.00 H new ATOM 647 N HIS A 175 -4.814 5.191 4.270 1.00 0.00 N ATOM 648 CA HIS A 175 -6.293 5.164 4.022 1.00 0.00 C ATOM 649 C HIS A 175 -6.654 3.985 3.127 1.00 0.00 C ATOM 650 O HIS A 175 -7.811 3.767 2.818 1.00 0.00 O ATOM 651 CB HIS A 175 -6.681 6.419 3.234 1.00 0.00 C ATOM 652 CG HIS A 175 -6.761 7.603 4.156 1.00 0.00 C ATOM 653 ND1 HIS A 175 -5.668 8.460 4.366 1.00 0.00 N ATOM 654 CD2 HIS A 175 -7.781 8.096 4.930 1.00 0.00 C ATOM 655 CE1 HIS A 175 -6.077 9.401 5.235 1.00 0.00 C ATOM 656 NE2 HIS A 175 -7.351 9.214 5.601 1.00 0.00 N ATOM 0 H HIS A 175 -4.317 5.959 3.818 1.00 0.00 H new ATOM 0 HA HIS A 175 -6.802 5.099 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.947 6.607 2.450 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.641 6.266 2.741 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -8.771 7.670 5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -5.455 10.208 5.593 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -7.893 9.787 6.248 1.00 0.00 H new ATOM 664 N CYS A 176 -5.667 3.311 2.603 1.00 0.00 N ATOM 665 CA CYS A 176 -5.927 2.262 1.617 1.00 0.00 C ATOM 666 C CYS A 176 -5.108 1.011 1.938 1.00 0.00 C ATOM 667 O CYS A 176 -4.824 0.210 1.071 1.00 0.00 O ATOM 668 CB CYS A 176 -5.529 2.857 0.249 1.00 0.00 C ATOM 669 SG CYS A 176 -5.412 4.706 0.346 1.00 0.00 S ATOM 0 H CYS A 176 -4.683 3.456 2.829 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.973 1.956 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.572 2.443 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -6.264 2.573 -0.504 1.00 0.00 H new ATOM 0 HG CYS A 176 -4.772 5.155 -0.693 1.00 0.00 H new ATOM 674 N SER A 177 -4.753 0.829 3.187 1.00 0.00 N ATOM 675 CA SER A 177 -3.973 -0.380 3.580 1.00 0.00 C ATOM 676 C SER A 177 -4.950 -1.520 3.862 1.00 0.00 C ATOM 677 O SER A 177 -4.790 -2.624 3.374 1.00 0.00 O ATOM 678 CB SER A 177 -3.160 -0.077 4.839 1.00 0.00 C ATOM 679 OG SER A 177 -2.670 -1.295 5.385 1.00 0.00 O ATOM 0 H SER A 177 -4.972 1.469 3.951 1.00 0.00 H new ATOM 0 HA SER A 177 -3.293 -0.663 2.777 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.330 0.587 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.780 0.440 5.571 1.00 0.00 H new ATOM 0 HG SER A 177 -2.147 -1.105 6.192 1.00 0.00 H new ATOM 685 N THR A 178 -5.971 -1.252 4.634 1.00 0.00 N ATOM 686 CA THR A 178 -6.982 -2.304 4.943 1.00 0.00 C ATOM 687 C THR A 178 -8.170 -2.156 3.988 1.00 0.00 C ATOM 688 O THR A 178 -8.873 -3.110 3.710 1.00 0.00 O ATOM 689 CB THR A 178 -7.466 -2.145 6.388 1.00 0.00 C ATOM 690 OG1 THR A 178 -7.973 -0.832 6.574 1.00 0.00 O ATOM 691 CG2 THR A 178 -6.299 -2.386 7.347 1.00 0.00 C ATOM 0 H THR A 178 -6.148 -0.345 5.065 1.00 0.00 H new ATOM 0 HA THR A 178 -6.532 -3.289 4.821 1.00 0.00 H new ATOM 0 HB THR A 178 -8.255 -2.870 6.590 1.00 0.00 H new ATOM 0 HG1 THR A 178 -8.285 -0.729 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 178 -6.643 -2.273 8.375 1.00 0.00 H new ATOM 0 HG22 THR A 178 -5.912 -3.395 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 178 -5.509 -1.662 7.147 1.00 0.00 H new ATOM 699 N LYS A 179 -8.400 -0.966 3.483 1.00 0.00 N ATOM 700 CA LYS A 179 -9.539 -0.751 2.546 1.00 0.00 C ATOM 701 C LYS A 179 -9.327 -1.589 1.281 1.00 0.00 C ATOM 702 O LYS A 179 -10.275 -2.023 0.653 1.00 0.00 O ATOM 703 CB LYS A 179 -9.623 0.732 2.173 1.00 0.00 C ATOM 704 CG LYS A 179 -10.652 1.429 3.065 1.00 0.00 C ATOM 705 CD LYS A 179 -12.063 1.018 2.641 1.00 0.00 C ATOM 706 CE LYS A 179 -13.060 1.391 3.740 1.00 0.00 C ATOM 707 NZ LYS A 179 -13.197 0.255 4.695 1.00 0.00 N ATOM 0 H LYS A 179 -7.844 -0.135 3.683 1.00 0.00 H new ATOM 0 HA LYS A 179 -10.468 -1.055 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -8.647 1.203 2.291 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -9.904 0.838 1.125 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -10.483 1.163 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -10.540 2.511 2.990 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -12.332 1.514 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.099 -0.055 2.453 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -12.720 2.283 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -14.029 1.629 3.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -13.875 0.509 5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -13.540 -0.586 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -12.272 0.048 5.123 1.00 0.00 H new ATOM 721 N VAL A 180 -8.090 -1.829 0.905 1.00 0.00 N ATOM 722 CA VAL A 180 -7.823 -2.648 -0.316 1.00 0.00 C ATOM 723 C VAL A 180 -8.420 -4.058 -0.102 1.00 0.00 C ATOM 724 O VAL A 180 -8.306 -4.597 0.981 1.00 0.00 O ATOM 725 CB VAL A 180 -6.304 -2.732 -0.560 1.00 0.00 C ATOM 726 CG1 VAL A 180 -5.607 -3.375 0.641 1.00 0.00 C ATOM 727 CG2 VAL A 180 -6.021 -3.565 -1.815 1.00 0.00 C ATOM 0 H VAL A 180 -7.259 -1.493 1.392 1.00 0.00 H new ATOM 0 HA VAL A 180 -8.285 -2.189 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.920 -1.721 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -4.534 -3.428 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -5.791 -2.775 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -5.998 -4.381 0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.945 -3.620 -1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.419 -4.571 -1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -6.497 -3.098 -2.677 1.00 0.00 H new