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 -141:sc= -0.273 USER MOD Set 1.2: A 155 CYS SG : rot 144:sc= 1.07 USER MOD Set 1.3: A 173 HIS : no HD1:sc= -5.89! K(o=-6.3!,f=-9.1) USER MOD Set 1.4: A 176 CYS SG : rot -171:sc= -1.17 USER MOD Set 2.1: A 139 HIS : no HD1:sc= -0.916 K(o=-0.21,f=-2.6) USER MOD Set 2.2: A 165 CYS SG : rot 160:sc= 0.328 USER MOD Set 2.3: A 167 THR OG1 : rot 67:sc= 0.0757 USER MOD Set 2.4: A 168 CYS SG : rot -57:sc= 0.304 USER MOD Single : A 140 ASN : amide:sc= -0.0245 X(o=-0.025,f=0) USER MOD Single : A 144 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.131) USER MOD Single : A 145 THR OG1 : rot 180:sc= -0.705 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= -1.46 K(o=-1.5,f=-5.3!) USER MOD Single : A 166 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.4) USER MOD Single : A 170 TYR OH : rot 30:sc= -1.06 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= -0.305 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N HIS A 139 -0.515 -10.673 -0.839 1.00 0.00 N ATOM 51 CA HIS A 139 -0.156 -9.232 -1.012 1.00 0.00 C ATOM 52 C HIS A 139 1.191 -8.978 -0.328 1.00 0.00 C ATOM 53 O HIS A 139 1.819 -9.891 0.175 1.00 0.00 O ATOM 54 CB HIS A 139 -1.242 -8.371 -0.363 1.00 0.00 C ATOM 55 CG HIS A 139 -1.510 -7.114 -1.159 1.00 0.00 C ATOM 56 ND1 HIS A 139 -1.336 -7.016 -2.564 1.00 0.00 N ATOM 57 CD2 HIS A 139 -2.007 -5.900 -0.758 1.00 0.00 C ATOM 58 CE1 HIS A 139 -1.744 -5.776 -2.899 1.00 0.00 C ATOM 59 NE2 HIS A 139 -2.152 -5.076 -1.838 1.00 0.00 N ATOM 0 HA HIS A 139 -0.080 -8.980 -2.070 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -2.162 -8.950 -0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -0.938 -8.103 0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -2.248 -5.635 0.261 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.741 -5.393 -3.909 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -2.502 -4.118 -1.834 1.00 0.00 H new ATOM 67 N ASN A 140 1.637 -7.751 -0.308 1.00 0.00 N ATOM 68 CA ASN A 140 2.944 -7.432 0.338 1.00 0.00 C ATOM 69 C ASN A 140 2.977 -5.940 0.679 1.00 0.00 C ATOM 70 O ASN A 140 2.236 -5.158 0.116 1.00 0.00 O ATOM 71 CB ASN A 140 4.088 -7.776 -0.630 1.00 0.00 C ATOM 72 CG ASN A 140 5.062 -8.756 0.034 1.00 0.00 C ATOM 73 OD1 ASN A 140 5.130 -9.910 -0.342 1.00 0.00 O ATOM 74 ND2 ASN A 140 5.828 -8.344 1.008 1.00 0.00 N ATOM 0 H ASN A 140 1.150 -6.952 -0.713 1.00 0.00 H new ATOM 0 HA ASN A 140 3.064 -8.016 1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 140 3.684 -8.215 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 140 4.615 -6.867 -0.920 1.00 0.00 H new ATOM 0 HD21 ASN A 140 6.481 -8.990 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 140 5.773 -7.376 1.326 1.00 0.00 H new ATOM 81 N PHE A 141 3.832 -5.538 1.586 1.00 0.00 N ATOM 82 CA PHE A 141 3.913 -4.091 1.950 1.00 0.00 C ATOM 83 C PHE A 141 5.355 -3.728 2.304 1.00 0.00 C ATOM 84 O PHE A 141 5.878 -4.142 3.323 1.00 0.00 O ATOM 85 CB PHE A 141 3.009 -3.805 3.151 1.00 0.00 C ATOM 86 CG PHE A 141 1.633 -4.370 2.894 1.00 0.00 C ATOM 87 CD1 PHE A 141 0.782 -3.760 1.963 1.00 0.00 C ATOM 88 CD2 PHE A 141 1.213 -5.510 3.583 1.00 0.00 C ATOM 89 CE1 PHE A 141 -0.490 -4.294 1.726 1.00 0.00 C ATOM 90 CE2 PHE A 141 -0.059 -6.045 3.347 1.00 0.00 C ATOM 91 CZ PHE A 141 -0.911 -5.436 2.417 1.00 0.00 C ATOM 0 H PHE A 141 4.476 -6.148 2.089 1.00 0.00 H new ATOM 0 HA PHE A 141 3.585 -3.493 1.100 1.00 0.00 H new ATOM 0 HB2 PHE A 141 3.433 -4.248 4.052 1.00 0.00 H new ATOM 0 HB3 PHE A 141 2.946 -2.731 3.324 1.00 0.00 H new ATOM 0 HD1 PHE A 141 1.107 -2.879 1.429 1.00 0.00 H new ATOM 0 HD2 PHE A 141 1.871 -5.980 4.299 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.147 -3.824 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.383 -6.926 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.892 -5.847 2.233 1.00 0.00 H new ATOM 101 N ALA A 142 5.996 -2.948 1.473 1.00 0.00 N ATOM 102 CA ALA A 142 7.403 -2.540 1.754 1.00 0.00 C ATOM 103 C ALA A 142 7.469 -1.017 1.858 1.00 0.00 C ATOM 104 O ALA A 142 7.253 -0.314 0.891 1.00 0.00 O ATOM 105 CB ALA A 142 8.309 -3.018 0.617 1.00 0.00 C ATOM 0 H ALA A 142 5.603 -2.575 0.609 1.00 0.00 H new ATOM 0 HA ALA A 142 7.737 -2.986 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 142 9.337 -2.720 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 142 8.254 -4.104 0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 142 7.982 -2.571 -0.322 1.00 0.00 H new ATOM 111 N ARG A 143 7.755 -0.504 3.027 1.00 0.00 N ATOM 112 CA ARG A 143 7.827 0.976 3.204 1.00 0.00 C ATOM 113 C ARG A 143 8.973 1.540 2.362 1.00 0.00 C ATOM 114 O ARG A 143 10.101 1.620 2.807 1.00 0.00 O ATOM 115 CB ARG A 143 8.070 1.307 4.678 1.00 0.00 C ATOM 116 CG ARG A 143 7.782 2.790 4.921 1.00 0.00 C ATOM 117 CD ARG A 143 7.162 2.971 6.309 1.00 0.00 C ATOM 118 NE ARG A 143 8.246 3.059 7.326 1.00 0.00 N ATOM 119 CZ ARG A 143 8.175 3.952 8.275 1.00 0.00 C ATOM 120 NH1 ARG A 143 8.584 5.172 8.056 1.00 0.00 N ATOM 121 NH2 ARG A 143 7.702 3.622 9.445 1.00 0.00 N ATOM 0 H ARG A 143 7.942 -1.049 3.869 1.00 0.00 H new ATOM 0 HA ARG A 143 6.886 1.421 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 143 7.429 0.693 5.310 1.00 0.00 H new ATOM 0 HB3 ARG A 143 9.100 1.076 4.949 1.00 0.00 H new ATOM 0 HG2 ARG A 143 8.704 3.367 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 143 7.104 3.169 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 143 6.552 3.874 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 143 6.502 2.134 6.537 1.00 0.00 H new ATOM 0 HE ARG A 143 9.042 2.423 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 143 8.959 5.428 7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 143 8.528 5.870 8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 143 7.388 2.667 9.617 1.00 0.00 H new ATOM 0 HH22 ARG A 143 7.646 4.319 10.188 1.00 0.00 H new ATOM 135 N LYS A 144 8.683 1.937 1.148 1.00 0.00 N ATOM 136 CA LYS A 144 9.744 2.504 0.264 1.00 0.00 C ATOM 137 C LYS A 144 9.143 3.625 -0.586 1.00 0.00 C ATOM 138 O LYS A 144 7.967 3.919 -0.492 1.00 0.00 O ATOM 139 CB LYS A 144 10.293 1.406 -0.652 1.00 0.00 C ATOM 140 CG LYS A 144 9.143 0.760 -1.432 1.00 0.00 C ATOM 141 CD LYS A 144 9.538 -0.664 -1.839 1.00 0.00 C ATOM 142 CE LYS A 144 10.600 -0.615 -2.944 1.00 0.00 C ATOM 143 NZ LYS A 144 10.090 -1.316 -4.155 1.00 0.00 N ATOM 0 H LYS A 144 7.753 1.892 0.731 1.00 0.00 H new ATOM 0 HA LYS A 144 10.555 2.900 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 144 11.023 1.827 -1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 144 10.813 0.652 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 144 8.241 0.738 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 144 8.912 1.352 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 144 9.924 -1.205 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 144 8.661 -1.208 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 144 10.842 0.420 -3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 144 11.521 -1.086 -2.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 10.874 -1.477 -4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 9.676 -2.229 -3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 9.363 -0.731 -4.614 1.00 0.00 H new ATOM 157 N THR A 145 9.942 4.247 -1.415 1.00 0.00 N ATOM 158 CA THR A 145 9.420 5.345 -2.274 1.00 0.00 C ATOM 159 C THR A 145 9.266 4.845 -3.711 1.00 0.00 C ATOM 160 O THR A 145 9.800 3.815 -4.078 1.00 0.00 O ATOM 161 CB THR A 145 10.391 6.528 -2.246 1.00 0.00 C ATOM 162 OG1 THR A 145 10.791 6.778 -0.905 1.00 0.00 O ATOM 163 CG2 THR A 145 9.700 7.767 -2.814 1.00 0.00 C ATOM 0 H THR A 145 10.934 4.040 -1.532 1.00 0.00 H new ATOM 0 HA THR A 145 8.449 5.665 -1.896 1.00 0.00 H new ATOM 0 HB THR A 145 11.269 6.295 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 145 11.414 7.534 -0.885 1.00 0.00 H new ATOM 0 HG21 THR A 145 10.391 8.610 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 145 9.393 7.573 -3.842 1.00 0.00 H new ATOM 0 HG23 THR A 145 8.823 8.003 -2.212 1.00 0.00 H new ATOM 171 N PHE A 146 8.527 5.562 -4.518 1.00 0.00 N ATOM 172 CA PHE A 146 8.318 5.137 -5.929 1.00 0.00 C ATOM 173 C PHE A 146 9.419 5.729 -6.811 1.00 0.00 C ATOM 174 O PHE A 146 10.207 6.542 -6.368 1.00 0.00 O ATOM 175 CB PHE A 146 6.947 5.627 -6.402 1.00 0.00 C ATOM 176 CG PHE A 146 5.870 4.739 -5.823 1.00 0.00 C ATOM 177 CD1 PHE A 146 5.754 4.581 -4.433 1.00 0.00 C ATOM 178 CD2 PHE A 146 4.991 4.062 -6.676 1.00 0.00 C ATOM 179 CE1 PHE A 146 4.765 3.749 -3.902 1.00 0.00 C ATOM 180 CE2 PHE A 146 4.001 3.233 -6.142 1.00 0.00 C ATOM 181 CZ PHE A 146 3.888 3.078 -4.756 1.00 0.00 C ATOM 0 H PHE A 146 8.058 6.429 -4.256 1.00 0.00 H new ATOM 0 HA PHE A 146 8.357 4.050 -5.997 1.00 0.00 H new ATOM 0 HB2 PHE A 146 6.790 6.659 -6.089 1.00 0.00 H new ATOM 0 HB3 PHE A 146 6.899 5.613 -7.491 1.00 0.00 H new ATOM 0 HD1 PHE A 146 6.430 5.103 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 146 5.078 4.180 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.679 3.625 -2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.322 2.711 -6.800 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.121 2.438 -4.346 1.00 0.00 H new ATOM 191 N LEU A 147 9.481 5.320 -8.053 1.00 0.00 N ATOM 192 CA LEU A 147 10.534 5.850 -8.970 1.00 0.00 C ATOM 193 C LEU A 147 10.309 7.345 -9.207 1.00 0.00 C ATOM 194 O LEU A 147 11.015 8.178 -8.670 1.00 0.00 O ATOM 195 CB LEU A 147 10.474 5.103 -10.306 1.00 0.00 C ATOM 196 CG LEU A 147 11.426 3.906 -10.264 1.00 0.00 C ATOM 197 CD1 LEU A 147 10.790 2.776 -9.454 1.00 0.00 C ATOM 198 CD2 LEU A 147 11.691 3.421 -11.691 1.00 0.00 C ATOM 0 H LEU A 147 8.846 4.640 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 147 11.514 5.702 -8.516 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.456 4.765 -10.501 1.00 0.00 H new ATOM 0 HB3 LEU A 147 10.749 5.772 -11.122 1.00 0.00 H new ATOM 0 HG LEU A 147 12.365 4.203 -9.797 1.00 0.00 H new ATOM 0 HD11 LEU A 147 11.468 1.923 -9.424 1.00 0.00 H new ATOM 0 HD12 LEU A 147 10.596 3.121 -8.438 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.852 2.477 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 147 12.369 2.568 -11.665 1.00 0.00 H new ATOM 0 HD22 LEU A 147 10.751 3.123 -12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 147 12.142 4.226 -12.271 1.00 0.00 H new ATOM 210 N LYS A 148 9.334 7.690 -10.012 1.00 0.00 N ATOM 211 CA LYS A 148 9.064 9.131 -10.293 1.00 0.00 C ATOM 212 C LYS A 148 7.755 9.553 -9.618 1.00 0.00 C ATOM 213 O LYS A 148 7.762 10.191 -8.582 1.00 0.00 O ATOM 214 CB LYS A 148 8.960 9.347 -11.805 1.00 0.00 C ATOM 215 CG LYS A 148 10.359 9.334 -12.424 1.00 0.00 C ATOM 216 CD LYS A 148 11.095 10.624 -12.052 1.00 0.00 C ATOM 217 CE LYS A 148 12.441 10.674 -12.778 1.00 0.00 C ATOM 218 NZ LYS A 148 12.299 11.457 -14.038 1.00 0.00 N ATOM 0 H LYS A 148 8.714 7.034 -10.486 1.00 0.00 H new ATOM 0 HA LYS A 148 9.881 9.735 -9.898 1.00 0.00 H new ATOM 0 HB2 LYS A 148 8.346 8.565 -12.253 1.00 0.00 H new ATOM 0 HB3 LYS A 148 8.468 10.297 -12.014 1.00 0.00 H new ATOM 0 HG2 LYS A 148 10.918 8.469 -12.068 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.288 9.243 -13.508 1.00 0.00 H new ATOM 0 HD2 LYS A 148 10.492 11.490 -12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.250 10.668 -10.974 1.00 0.00 H new ATOM 0 HE2 LYS A 148 13.195 11.131 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 148 12.783 9.664 -13.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 13.214 11.491 -14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 11.592 11.003 -14.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 11.992 12.425 -13.813 1.00 0.00 H new ATOM 232 N LEU A 149 6.636 9.206 -10.201 1.00 0.00 N ATOM 233 CA LEU A 149 5.324 9.590 -9.601 1.00 0.00 C ATOM 234 C LEU A 149 4.376 8.387 -9.604 1.00 0.00 C ATOM 235 O LEU A 149 4.560 7.437 -10.340 1.00 0.00 O ATOM 236 CB LEU A 149 4.702 10.728 -10.417 1.00 0.00 C ATOM 237 CG LEU A 149 3.925 11.660 -9.485 1.00 0.00 C ATOM 238 CD1 LEU A 149 4.828 12.814 -9.045 1.00 0.00 C ATOM 239 CD2 LEU A 149 2.706 12.220 -10.222 1.00 0.00 C ATOM 0 H LEU A 149 6.575 8.672 -11.068 1.00 0.00 H new ATOM 0 HA LEU A 149 5.484 9.919 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 149 5.481 11.284 -10.938 1.00 0.00 H new ATOM 0 HB3 LEU A 149 4.037 10.322 -11.179 1.00 0.00 H new ATOM 0 HG LEU A 149 3.596 11.102 -8.608 1.00 0.00 H new ATOM 0 HD11 LEU A 149 4.273 13.477 -8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 149 5.696 12.417 -8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 149 5.159 13.372 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 149 2.153 12.884 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 149 3.035 12.777 -11.099 1.00 0.00 H new ATOM 0 HD23 LEU A 149 2.061 11.399 -10.534 1.00 0.00 H new ATOM 251 N ALA A 150 3.365 8.432 -8.778 1.00 0.00 N ATOM 252 CA ALA A 150 2.384 7.310 -8.707 1.00 0.00 C ATOM 253 C ALA A 150 1.002 7.897 -8.396 1.00 0.00 C ATOM 254 O ALA A 150 0.804 9.094 -8.505 1.00 0.00 O ATOM 255 CB ALA A 150 2.816 6.342 -7.599 1.00 0.00 C ATOM 0 H ALA A 150 3.175 9.207 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 150 2.343 6.768 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 150 2.105 5.518 -7.539 1.00 0.00 H new ATOM 0 HB2 ALA A 150 3.808 5.950 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 150 2.842 6.869 -6.645 1.00 0.00 H new ATOM 261 N PHE A 151 0.048 7.085 -8.006 1.00 0.00 N ATOM 262 CA PHE A 151 -1.309 7.630 -7.689 1.00 0.00 C ATOM 263 C PHE A 151 -2.061 6.668 -6.767 1.00 0.00 C ATOM 264 O PHE A 151 -2.239 5.506 -7.078 1.00 0.00 O ATOM 265 CB PHE A 151 -2.101 7.828 -8.982 1.00 0.00 C ATOM 266 CG PHE A 151 -1.985 9.265 -9.435 1.00 0.00 C ATOM 267 CD1 PHE A 151 -2.791 10.249 -8.849 1.00 0.00 C ATOM 268 CD2 PHE A 151 -1.074 9.613 -10.439 1.00 0.00 C ATOM 269 CE1 PHE A 151 -2.684 11.580 -9.267 1.00 0.00 C ATOM 270 CE2 PHE A 151 -0.967 10.945 -10.857 1.00 0.00 C ATOM 271 CZ PHE A 151 -1.773 11.928 -10.270 1.00 0.00 C ATOM 0 H PHE A 151 0.150 6.076 -7.894 1.00 0.00 H new ATOM 0 HA PHE A 151 -1.195 8.589 -7.184 1.00 0.00 H new ATOM 0 HB2 PHE A 151 -1.724 7.161 -9.757 1.00 0.00 H new ATOM 0 HB3 PHE A 151 -3.148 7.570 -8.822 1.00 0.00 H new ATOM 0 HD1 PHE A 151 -3.495 9.981 -8.075 1.00 0.00 H new ATOM 0 HD2 PHE A 151 -0.453 8.854 -10.891 1.00 0.00 H new ATOM 0 HE1 PHE A 151 -3.305 12.339 -8.815 1.00 0.00 H new ATOM 0 HE2 PHE A 151 -0.264 11.214 -11.631 1.00 0.00 H new ATOM 0 HZ PHE A 151 -1.691 12.956 -10.592 1.00 0.00 H new ATOM 281 N CYS A 152 -2.479 7.147 -5.619 1.00 0.00 N ATOM 282 CA CYS A 152 -3.195 6.263 -4.651 1.00 0.00 C ATOM 283 C CYS A 152 -4.646 6.047 -5.066 1.00 0.00 C ATOM 284 O CYS A 152 -5.470 6.941 -4.993 1.00 0.00 O ATOM 285 CB CYS A 152 -3.182 6.893 -3.275 1.00 0.00 C ATOM 286 SG CYS A 152 -3.689 5.640 -2.076 1.00 0.00 S ATOM 0 H CYS A 152 -2.354 8.112 -5.313 1.00 0.00 H new ATOM 0 HA CYS A 152 -2.681 5.302 -4.639 1.00 0.00 H new ATOM 0 HB2 CYS A 152 -2.186 7.266 -3.037 1.00 0.00 H new ATOM 0 HB3 CYS A 152 -3.858 7.747 -3.241 1.00 0.00 H new ATOM 0 HG CYS A 152 -4.457 6.183 -1.179 1.00 0.00 H new ATOM 291 N ASP A 153 -4.964 4.847 -5.460 1.00 0.00 N ATOM 292 CA ASP A 153 -6.373 4.531 -5.863 1.00 0.00 C ATOM 293 C ASP A 153 -7.318 4.583 -4.645 1.00 0.00 C ATOM 294 O ASP A 153 -8.524 4.521 -4.792 1.00 0.00 O ATOM 295 CB ASP A 153 -6.420 3.131 -6.477 1.00 0.00 C ATOM 296 CG ASP A 153 -7.504 3.083 -7.556 1.00 0.00 C ATOM 297 OD1 ASP A 153 -8.670 3.150 -7.199 1.00 0.00 O ATOM 298 OD2 ASP A 153 -7.151 2.980 -8.718 1.00 0.00 O ATOM 0 H ASP A 153 -4.312 4.065 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 153 -6.701 5.274 -6.590 1.00 0.00 H new ATOM 0 HB2 ASP A 153 -5.451 2.879 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 153 -6.628 2.390 -5.705 1.00 0.00 H new ATOM 303 N ILE A 154 -6.787 4.683 -3.449 1.00 0.00 N ATOM 304 CA ILE A 154 -7.649 4.725 -2.227 1.00 0.00 C ATOM 305 C ILE A 154 -7.946 6.167 -1.838 1.00 0.00 C ATOM 306 O ILE A 154 -8.937 6.448 -1.188 1.00 0.00 O ATOM 307 CB ILE A 154 -6.886 4.084 -1.060 1.00 0.00 C ATOM 308 CG1 ILE A 154 -6.453 2.638 -1.472 1.00 0.00 C ATOM 309 CG2 ILE A 154 -7.754 4.121 0.232 1.00 0.00 C ATOM 310 CD1 ILE A 154 -7.395 1.569 -0.892 1.00 0.00 C ATOM 0 H ILE A 154 -5.785 4.738 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 154 -8.578 4.195 -2.438 1.00 0.00 H new ATOM 0 HB ILE A 154 -5.980 4.646 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -6.440 2.559 -2.559 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -5.436 2.451 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -7.203 3.664 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -7.988 5.155 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -8.679 3.570 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -7.058 0.580 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -7.388 1.630 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -8.407 1.739 -1.258 1.00 0.00 H new ATOM 322 N CYS A 155 -7.061 7.067 -2.160 1.00 0.00 N ATOM 323 CA CYS A 155 -7.256 8.469 -1.732 1.00 0.00 C ATOM 324 C CYS A 155 -7.848 9.331 -2.850 1.00 0.00 C ATOM 325 O CYS A 155 -9.048 9.482 -2.929 1.00 0.00 O ATOM 326 CB CYS A 155 -5.913 8.987 -1.260 1.00 0.00 C ATOM 327 SG CYS A 155 -5.487 8.120 0.280 1.00 0.00 S ATOM 0 H CYS A 155 -6.214 6.888 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 155 -7.981 8.518 -0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 155 -5.150 8.814 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 155 -5.957 10.063 -1.092 1.00 0.00 H new ATOM 0 HG CYS A 155 -4.206 7.904 0.316 1.00 0.00 H new ATOM 332 N GLN A 156 -7.032 9.895 -3.711 1.00 0.00 N ATOM 333 CA GLN A 156 -7.572 10.755 -4.824 1.00 0.00 C ATOM 334 C GLN A 156 -6.436 11.449 -5.590 1.00 0.00 C ATOM 335 O GLN A 156 -6.622 11.856 -6.723 1.00 0.00 O ATOM 336 CB GLN A 156 -8.523 11.837 -4.267 1.00 0.00 C ATOM 337 CG GLN A 156 -9.986 11.439 -4.519 1.00 0.00 C ATOM 338 CD GLN A 156 -10.768 12.645 -5.049 1.00 0.00 C ATOM 339 OE1 GLN A 156 -11.441 13.324 -4.298 1.00 0.00 O ATOM 340 NE2 GLN A 156 -10.708 12.942 -6.319 1.00 0.00 N ATOM 0 H GLN A 156 -6.017 9.799 -3.694 1.00 0.00 H new ATOM 0 HA GLN A 156 -8.117 10.098 -5.502 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -8.353 11.966 -3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -8.312 12.796 -4.741 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -10.031 10.620 -5.237 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -10.438 11.078 -3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -10.144 12.373 -6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -11.226 13.743 -6.680 1.00 0.00 H new ATOM 349 N LYS A 157 -5.276 11.610 -4.995 1.00 0.00 N ATOM 350 CA LYS A 157 -4.168 12.301 -5.712 1.00 0.00 C ATOM 351 C LYS A 157 -2.986 11.346 -5.866 1.00 0.00 C ATOM 352 O LYS A 157 -3.092 10.162 -5.613 1.00 0.00 O ATOM 353 CB LYS A 157 -3.737 13.536 -4.906 1.00 0.00 C ATOM 354 CG LYS A 157 -4.319 14.800 -5.548 1.00 0.00 C ATOM 355 CD LYS A 157 -5.718 15.063 -4.990 1.00 0.00 C ATOM 356 CE LYS A 157 -5.621 15.988 -3.774 1.00 0.00 C ATOM 357 NZ LYS A 157 -6.793 16.907 -3.753 1.00 0.00 N ATOM 0 H LYS A 157 -5.055 11.294 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 157 -4.507 12.612 -6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -4.081 13.448 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -2.649 13.600 -4.874 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -3.671 15.653 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -4.365 14.682 -6.631 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -6.346 15.518 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -6.190 14.122 -4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -5.591 15.399 -2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -4.696 16.563 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -6.727 17.535 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -6.802 17.478 -4.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -7.670 16.350 -3.695 1.00 0.00 H new ATOM 371 N PHE A 158 -1.866 11.857 -6.301 1.00 0.00 N ATOM 372 CA PHE A 158 -0.652 11.014 -6.511 1.00 0.00 C ATOM 373 C PHE A 158 -0.374 10.105 -5.290 1.00 0.00 C ATOM 374 O PHE A 158 -0.980 10.240 -4.244 1.00 0.00 O ATOM 375 CB PHE A 158 0.543 11.952 -6.735 1.00 0.00 C ATOM 376 CG PHE A 158 0.867 12.664 -5.441 1.00 0.00 C ATOM 377 CD1 PHE A 158 0.189 13.833 -5.095 1.00 0.00 C ATOM 378 CD2 PHE A 158 1.816 12.116 -4.576 1.00 0.00 C ATOM 379 CE1 PHE A 158 0.463 14.460 -3.878 1.00 0.00 C ATOM 380 CE2 PHE A 158 2.096 12.743 -3.362 1.00 0.00 C ATOM 381 CZ PHE A 158 1.418 13.917 -3.009 1.00 0.00 C ATOM 0 H PHE A 158 -1.738 12.844 -6.524 1.00 0.00 H new ATOM 0 HA PHE A 158 -0.811 10.367 -7.374 1.00 0.00 H new ATOM 0 HB2 PHE A 158 1.408 11.383 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 158 0.310 12.677 -7.514 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -0.546 14.252 -5.767 1.00 0.00 H new ATOM 0 HD2 PHE A 158 2.333 11.207 -4.847 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -0.062 15.364 -3.606 1.00 0.00 H new ATOM 0 HE2 PHE A 158 2.835 12.324 -2.695 1.00 0.00 H new ATOM 0 HZ PHE A 158 1.631 14.403 -2.068 1.00 0.00 H new ATOM 391 N LEU A 159 0.570 9.219 -5.430 1.00 0.00 N ATOM 392 CA LEU A 159 0.960 8.317 -4.305 1.00 0.00 C ATOM 393 C LEU A 159 2.452 8.555 -4.034 1.00 0.00 C ATOM 394 O LEU A 159 3.248 8.598 -4.953 1.00 0.00 O ATOM 395 CB LEU A 159 0.702 6.855 -4.722 1.00 0.00 C ATOM 396 CG LEU A 159 0.981 5.847 -3.587 1.00 0.00 C ATOM 397 CD1 LEU A 159 2.475 5.604 -3.480 1.00 0.00 C ATOM 398 CD2 LEU A 159 0.439 6.336 -2.238 1.00 0.00 C ATOM 0 H LEU A 159 1.099 9.077 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 159 0.381 8.518 -3.403 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -0.334 6.752 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 159 1.329 6.611 -5.580 1.00 0.00 H new ATOM 0 HG LEU A 159 0.466 4.918 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 159 2.671 4.892 -2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 159 2.846 5.201 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 159 2.982 6.544 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 159 0.657 5.596 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 159 0.913 7.282 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -0.639 6.478 -2.309 1.00 0.00 H new ATOM 410 N LEU A 160 2.835 8.750 -2.794 1.00 0.00 N ATOM 411 CA LEU A 160 4.273 9.032 -2.488 1.00 0.00 C ATOM 412 C LEU A 160 4.858 7.952 -1.576 1.00 0.00 C ATOM 413 O LEU A 160 4.218 6.965 -1.276 1.00 0.00 O ATOM 414 CB LEU A 160 4.401 10.398 -1.791 1.00 0.00 C ATOM 415 CG LEU A 160 3.213 10.667 -0.853 1.00 0.00 C ATOM 416 CD1 LEU A 160 3.180 9.614 0.258 1.00 0.00 C ATOM 417 CD2 LEU A 160 3.364 12.054 -0.225 1.00 0.00 C ATOM 0 H LEU A 160 2.216 8.726 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 160 4.824 9.039 -3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 160 5.330 10.431 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 160 4.459 11.186 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 160 2.287 10.619 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 160 2.336 9.810 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 160 3.073 8.623 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 160 4.107 9.659 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 160 2.522 12.246 0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 160 4.293 12.097 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 160 3.385 12.809 -1.011 1.00 0.00 H new ATOM 429 N ASN A 161 6.086 8.135 -1.141 1.00 0.00 N ATOM 430 CA ASN A 161 6.756 7.130 -0.251 1.00 0.00 C ATOM 431 C ASN A 161 5.819 6.683 0.874 1.00 0.00 C ATOM 432 O ASN A 161 5.620 7.381 1.852 1.00 0.00 O ATOM 433 CB ASN A 161 8.031 7.739 0.352 1.00 0.00 C ATOM 434 CG ASN A 161 7.736 9.134 0.919 1.00 0.00 C ATOM 435 OD1 ASN A 161 6.593 9.522 1.056 1.00 0.00 O ATOM 436 ND2 ASN A 161 8.731 9.911 1.251 1.00 0.00 N ATOM 0 H ASN A 161 6.658 8.948 -1.368 1.00 0.00 H new ATOM 0 HA ASN A 161 7.014 6.258 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN A 161 8.414 7.092 1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 161 8.807 7.805 -0.411 1.00 0.00 H new ATOM 0 HD21 ASN A 161 8.548 10.842 1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 161 9.691 9.587 1.137 1.00 0.00 H new ATOM 443 N GLY A 162 5.237 5.523 0.723 1.00 0.00 N ATOM 444 CA GLY A 162 4.299 5.012 1.761 1.00 0.00 C ATOM 445 C GLY A 162 4.395 3.492 1.834 1.00 0.00 C ATOM 446 O GLY A 162 5.044 2.946 2.709 1.00 0.00 O ATOM 0 H GLY A 162 5.372 4.906 -0.078 1.00 0.00 H new ATOM 0 HA2 GLY A 162 4.540 5.449 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 162 3.278 5.311 1.522 1.00 0.00 H new ATOM 450 N PHE A 163 3.748 2.805 0.928 1.00 0.00 N ATOM 451 CA PHE A 163 3.795 1.316 0.949 1.00 0.00 C ATOM 452 C PHE A 163 3.440 0.745 -0.426 1.00 0.00 C ATOM 453 O PHE A 163 2.359 0.960 -0.943 1.00 0.00 O ATOM 454 CB PHE A 163 2.792 0.796 1.984 1.00 0.00 C ATOM 455 CG PHE A 163 3.490 0.587 3.306 1.00 0.00 C ATOM 456 CD1 PHE A 163 4.440 -0.432 3.441 1.00 0.00 C ATOM 457 CD2 PHE A 163 3.186 1.409 4.398 1.00 0.00 C ATOM 458 CE1 PHE A 163 5.088 -0.628 4.666 1.00 0.00 C ATOM 459 CE2 PHE A 163 3.833 1.211 5.624 1.00 0.00 C ATOM 460 CZ PHE A 163 4.784 0.193 5.757 1.00 0.00 C ATOM 0 H PHE A 163 3.191 3.212 0.177 1.00 0.00 H new ATOM 0 HA PHE A 163 4.805 1.000 1.210 1.00 0.00 H new ATOM 0 HB2 PHE A 163 1.974 1.507 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 163 2.353 -0.141 1.641 1.00 0.00 H new ATOM 0 HD1 PHE A 163 4.673 -1.067 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 163 2.453 2.195 4.295 1.00 0.00 H new ATOM 0 HE1 PHE A 163 5.823 -1.413 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 163 3.598 1.844 6.467 1.00 0.00 H new ATOM 0 HZ PHE A 163 5.283 0.041 6.702 1.00 0.00 H new ATOM 470 N ARG A 164 4.344 -0.006 -1.004 1.00 0.00 N ATOM 471 CA ARG A 164 4.076 -0.635 -2.335 1.00 0.00 C ATOM 472 C ARG A 164 4.145 -2.143 -2.188 1.00 0.00 C ATOM 473 O ARG A 164 5.109 -2.670 -1.665 1.00 0.00 O ATOM 474 CB ARG A 164 5.157 -0.237 -3.356 1.00 0.00 C ATOM 475 CG ARG A 164 4.574 -0.176 -4.768 1.00 0.00 C ATOM 476 CD ARG A 164 5.691 0.105 -5.777 1.00 0.00 C ATOM 477 NE ARG A 164 6.813 -0.856 -5.567 1.00 0.00 N ATOM 478 CZ ARG A 164 7.078 -1.758 -6.472 1.00 0.00 C ATOM 479 NH1 ARG A 164 7.907 -1.483 -7.443 1.00 0.00 N ATOM 480 NH2 ARG A 164 6.521 -2.937 -6.403 1.00 0.00 N ATOM 0 H ARG A 164 5.262 -0.212 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 164 3.096 -0.302 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 164 5.577 0.733 -3.089 1.00 0.00 H new ATOM 0 HB3 ARG A 164 5.975 -0.957 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 164 4.082 -1.118 -5.009 1.00 0.00 H new ATOM 0 HG3 ARG A 164 3.815 0.604 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 164 5.307 0.014 -6.793 1.00 0.00 H new ATOM 0 HD3 ARG A 164 6.049 1.128 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 164 7.373 -0.808 -4.716 1.00 0.00 H new ATOM 0 HH11 ARG A 164 8.347 -0.564 -7.493 1.00 0.00 H new ATOM 0 HH12 ARG A 164 8.115 -2.187 -8.151 1.00 0.00 H new ATOM 0 HH21 ARG A 164 5.878 -3.154 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 164 6.729 -3.641 -7.111 1.00 0.00 H new ATOM 494 N CYS A 165 3.169 -2.853 -2.697 1.00 0.00 N ATOM 495 CA CYS A 165 3.252 -4.335 -2.627 1.00 0.00 C ATOM 496 C CYS A 165 4.317 -4.729 -3.641 1.00 0.00 C ATOM 497 O CYS A 165 4.211 -4.380 -4.805 1.00 0.00 O ATOM 498 CB CYS A 165 1.897 -4.981 -2.978 1.00 0.00 C ATOM 499 SG CYS A 165 2.069 -6.787 -3.135 1.00 0.00 S ATOM 0 H CYS A 165 2.336 -2.476 -3.149 1.00 0.00 H new ATOM 0 HA CYS A 165 3.503 -4.676 -1.623 1.00 0.00 H new ATOM 0 HB2 CYS A 165 1.165 -4.746 -2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 165 1.520 -4.564 -3.912 1.00 0.00 H new ATOM 0 HG CYS A 165 0.902 -7.346 -3.015 1.00 0.00 H new ATOM 504 N GLN A 166 5.346 -5.416 -3.198 1.00 0.00 N ATOM 505 CA GLN A 166 6.452 -5.821 -4.118 1.00 0.00 C ATOM 506 C GLN A 166 6.127 -7.178 -4.749 1.00 0.00 C ATOM 507 O GLN A 166 6.924 -8.097 -4.741 1.00 0.00 O ATOM 508 CB GLN A 166 7.757 -5.918 -3.324 1.00 0.00 C ATOM 509 CG GLN A 166 8.949 -5.731 -4.266 1.00 0.00 C ATOM 510 CD GLN A 166 9.501 -7.098 -4.673 1.00 0.00 C ATOM 511 OE1 GLN A 166 9.372 -7.504 -5.811 1.00 0.00 O ATOM 512 NE2 GLN A 166 10.115 -7.831 -3.786 1.00 0.00 N ATOM 0 H GLN A 166 5.465 -5.714 -2.230 1.00 0.00 H new ATOM 0 HA GLN A 166 6.561 -5.078 -4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 166 7.776 -5.158 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 166 7.821 -6.887 -2.828 1.00 0.00 H new ATOM 0 HG2 GLN A 166 8.642 -5.173 -5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 166 9.726 -5.146 -3.774 1.00 0.00 H new ATOM 0 HE21 GLN A 166 10.224 -7.491 -2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 166 10.486 -8.744 -4.048 1.00 0.00 H new ATOM 521 N THR A 167 4.961 -7.286 -5.309 1.00 0.00 N ATOM 522 CA THR A 167 4.530 -8.545 -5.971 1.00 0.00 C ATOM 523 C THR A 167 3.583 -8.143 -7.097 1.00 0.00 C ATOM 524 O THR A 167 3.706 -8.591 -8.221 1.00 0.00 O ATOM 525 CB THR A 167 3.810 -9.460 -4.970 1.00 0.00 C ATOM 526 OG1 THR A 167 3.955 -8.947 -3.652 1.00 0.00 O ATOM 527 CG2 THR A 167 4.405 -10.869 -5.032 1.00 0.00 C ATOM 0 H THR A 167 4.270 -6.536 -5.337 1.00 0.00 H new ATOM 0 HA THR A 167 5.388 -9.097 -6.356 1.00 0.00 H new ATOM 0 HB THR A 167 2.752 -9.500 -5.229 1.00 0.00 H new ATOM 0 HG1 THR A 167 3.467 -8.101 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 167 3.890 -11.513 -4.319 1.00 0.00 H new ATOM 0 HG22 THR A 167 4.284 -11.271 -6.038 1.00 0.00 H new ATOM 0 HG23 THR A 167 5.465 -10.827 -4.783 1.00 0.00 H new ATOM 535 N CYS A 168 2.649 -7.275 -6.797 1.00 0.00 N ATOM 536 CA CYS A 168 1.700 -6.804 -7.836 1.00 0.00 C ATOM 537 C CYS A 168 1.938 -5.308 -8.124 1.00 0.00 C ATOM 538 O CYS A 168 1.346 -4.761 -9.038 1.00 0.00 O ATOM 539 CB CYS A 168 0.255 -7.032 -7.361 1.00 0.00 C ATOM 540 SG CYS A 168 -0.058 -6.133 -5.817 1.00 0.00 S ATOM 0 H CYS A 168 2.507 -6.874 -5.870 1.00 0.00 H new ATOM 0 HA CYS A 168 1.863 -7.368 -8.755 1.00 0.00 H new ATOM 0 HB2 CYS A 168 -0.443 -6.700 -8.130 1.00 0.00 H new ATOM 0 HB3 CYS A 168 0.080 -8.097 -7.210 1.00 0.00 H new ATOM 0 HG CYS A 168 0.802 -6.505 -4.916 1.00 0.00 H new ATOM 545 N GLY A 169 2.789 -4.632 -7.363 1.00 0.00 N ATOM 546 CA GLY A 169 3.023 -3.192 -7.626 1.00 0.00 C ATOM 547 C GLY A 169 1.829 -2.416 -7.101 1.00 0.00 C ATOM 548 O GLY A 169 1.274 -1.574 -7.783 1.00 0.00 O ATOM 0 H GLY A 169 3.317 -5.026 -6.584 1.00 0.00 H new ATOM 0 HA2 GLY A 169 3.938 -2.860 -7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 169 3.151 -3.016 -8.694 1.00 0.00 H new ATOM 552 N TYR A 170 1.430 -2.693 -5.885 1.00 0.00 N ATOM 553 CA TYR A 170 0.257 -1.958 -5.310 1.00 0.00 C ATOM 554 C TYR A 170 0.762 -0.626 -4.782 1.00 0.00 C ATOM 555 O TYR A 170 1.937 -0.487 -4.552 1.00 0.00 O ATOM 556 CB TYR A 170 -0.401 -2.767 -4.194 1.00 0.00 C ATOM 557 CG TYR A 170 -1.789 -2.218 -3.957 1.00 0.00 C ATOM 558 CD1 TYR A 170 -2.690 -2.083 -5.023 1.00 0.00 C ATOM 559 CD2 TYR A 170 -2.167 -1.826 -2.674 1.00 0.00 C ATOM 560 CE1 TYR A 170 -3.968 -1.560 -4.799 1.00 0.00 C ATOM 561 CE2 TYR A 170 -3.443 -1.298 -2.449 1.00 0.00 C ATOM 562 CZ TYR A 170 -4.344 -1.165 -3.513 1.00 0.00 C ATOM 563 OH TYR A 170 -5.603 -0.643 -3.294 1.00 0.00 O ATOM 0 H TYR A 170 1.857 -3.386 -5.271 1.00 0.00 H new ATOM 0 HA TYR A 170 -0.500 -1.800 -6.078 1.00 0.00 H new ATOM 0 HB2 TYR A 170 -0.452 -3.820 -4.470 1.00 0.00 H new ATOM 0 HB3 TYR A 170 0.192 -2.705 -3.281 1.00 0.00 H new ATOM 0 HD1 TYR A 170 -2.397 -2.383 -6.018 1.00 0.00 H new ATOM 0 HD2 TYR A 170 -1.474 -1.930 -1.852 1.00 0.00 H new ATOM 0 HE1 TYR A 170 -4.663 -1.462 -5.620 1.00 0.00 H new ATOM 0 HE2 TYR A 170 -3.733 -0.993 -1.454 1.00 0.00 H new ATOM 0 HH TYR A 170 -6.234 -1.030 -3.936 1.00 0.00 H new ATOM 573 N LYS A 171 -0.084 0.368 -4.624 1.00 0.00 N ATOM 574 CA LYS A 171 0.435 1.699 -4.164 1.00 0.00 C ATOM 575 C LYS A 171 -0.549 2.370 -3.204 1.00 0.00 C ATOM 576 O LYS A 171 -1.693 2.601 -3.550 1.00 0.00 O ATOM 577 CB LYS A 171 0.659 2.605 -5.401 1.00 0.00 C ATOM 578 CG LYS A 171 -0.289 2.229 -6.557 1.00 0.00 C ATOM 579 CD LYS A 171 -0.039 3.153 -7.758 1.00 0.00 C ATOM 580 CE LYS A 171 0.668 2.380 -8.875 1.00 0.00 C ATOM 581 NZ LYS A 171 0.638 3.185 -10.130 1.00 0.00 N ATOM 0 H LYS A 171 -1.089 0.319 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 171 1.375 1.547 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 171 0.500 3.647 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 171 1.693 2.518 -5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 171 -0.130 1.190 -6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 171 -1.326 2.314 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 171 -0.985 3.552 -8.123 1.00 0.00 H new ATOM 0 HD3 LYS A 171 0.569 4.004 -7.452 1.00 0.00 H new ATOM 0 HE2 LYS A 171 1.699 2.169 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 171 0.178 1.419 -9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 171 1.118 2.661 -10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 171 -0.349 3.365 -10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 171 1.124 4.091 -9.973 1.00 0.00 H new ATOM 595 N PHE A 172 -0.118 2.697 -1.991 1.00 0.00 N ATOM 596 CA PHE A 172 -1.062 3.358 -1.039 1.00 0.00 C ATOM 597 C PHE A 172 -0.350 3.901 0.234 1.00 0.00 C ATOM 598 O PHE A 172 0.631 3.355 0.700 1.00 0.00 O ATOM 599 CB PHE A 172 -2.192 2.358 -0.712 1.00 0.00 C ATOM 600 CG PHE A 172 -1.849 1.412 0.433 1.00 0.00 C ATOM 601 CD1 PHE A 172 -1.860 1.866 1.753 1.00 0.00 C ATOM 602 CD2 PHE A 172 -1.572 0.072 0.168 1.00 0.00 C ATOM 603 CE1 PHE A 172 -1.595 0.994 2.807 1.00 0.00 C ATOM 604 CE2 PHE A 172 -1.300 -0.808 1.219 1.00 0.00 C ATOM 605 CZ PHE A 172 -1.313 -0.349 2.542 1.00 0.00 C ATOM 0 H PHE A 172 0.825 2.535 -1.637 1.00 0.00 H new ATOM 0 HA PHE A 172 -1.489 4.244 -1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 172 -3.095 2.912 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 172 -2.418 1.772 -1.603 1.00 0.00 H new ATOM 0 HD1 PHE A 172 -2.076 2.904 1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 172 -1.568 -0.287 -0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 172 -1.607 1.355 3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 172 -1.079 -1.844 1.010 1.00 0.00 H new ATOM 0 HZ PHE A 172 -1.106 -1.030 3.354 1.00 0.00 H new ATOM 615 N HIS A 173 -0.856 5.000 0.767 1.00 0.00 N ATOM 616 CA HIS A 173 -0.254 5.657 1.993 1.00 0.00 C ATOM 617 C HIS A 173 -0.714 4.945 3.309 1.00 0.00 C ATOM 618 O HIS A 173 -0.739 3.737 3.380 1.00 0.00 O ATOM 619 CB HIS A 173 -0.679 7.144 2.051 1.00 0.00 C ATOM 620 CG HIS A 173 -0.945 7.735 0.722 1.00 0.00 C ATOM 621 ND1 HIS A 173 -2.221 7.729 0.144 1.00 0.00 N ATOM 622 CD2 HIS A 173 -0.149 8.461 -0.087 1.00 0.00 C ATOM 623 CE1 HIS A 173 -2.113 8.471 -0.966 1.00 0.00 C ATOM 624 NE2 HIS A 173 -0.869 8.929 -1.145 1.00 0.00 N ATOM 0 H HIS A 173 -1.677 5.480 0.398 1.00 0.00 H new ATOM 0 HA HIS A 173 0.830 5.576 1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 173 -1.575 7.234 2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 173 0.105 7.718 2.545 1.00 0.00 H new ATOM 0 HD2 HIS A 173 0.902 8.645 0.078 1.00 0.00 H new ATOM 0 HE1 HIS A 173 -2.934 8.675 -1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 173 -0.530 9.508 -1.913 1.00 0.00 H new ATOM 632 N GLU A 174 -1.063 5.688 4.365 1.00 0.00 N ATOM 633 CA GLU A 174 -1.508 5.050 5.643 1.00 0.00 C ATOM 634 C GLU A 174 -3.048 4.987 5.690 1.00 0.00 C ATOM 635 O GLU A 174 -3.617 4.222 6.444 1.00 0.00 O ATOM 636 CB GLU A 174 -0.997 5.875 6.825 1.00 0.00 C ATOM 637 CG GLU A 174 0.450 5.486 7.132 1.00 0.00 C ATOM 638 CD GLU A 174 1.063 6.512 8.086 1.00 0.00 C ATOM 639 OE1 GLU A 174 1.120 7.673 7.717 1.00 0.00 O ATOM 640 OE2 GLU A 174 1.462 6.120 9.169 1.00 0.00 O ATOM 0 H GLU A 174 -1.053 6.708 4.379 1.00 0.00 H new ATOM 0 HA GLU A 174 -1.106 4.038 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 174 -1.057 6.938 6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 174 -1.624 5.704 7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 174 0.484 4.493 7.579 1.00 0.00 H new ATOM 0 HG3 GLU A 174 1.029 5.440 6.210 1.00 0.00 H new ATOM 647 N HIS A 175 -3.727 5.761 4.865 1.00 0.00 N ATOM 648 CA HIS A 175 -5.229 5.725 4.827 1.00 0.00 C ATOM 649 C HIS A 175 -5.703 4.527 4.016 1.00 0.00 C ATOM 650 O HIS A 175 -6.847 4.484 3.593 1.00 0.00 O ATOM 651 CB HIS A 175 -5.735 6.938 4.049 1.00 0.00 C ATOM 652 CG HIS A 175 -5.514 8.200 4.841 1.00 0.00 C ATOM 653 ND1 HIS A 175 -4.664 9.223 4.392 1.00 0.00 N ATOM 654 CD2 HIS A 175 -6.016 8.625 6.044 1.00 0.00 C ATOM 655 CE1 HIS A 175 -4.697 10.189 5.328 1.00 0.00 C ATOM 656 NE2 HIS A 175 -5.505 9.863 6.344 1.00 0.00 N ATOM 0 H HIS A 175 -3.300 6.419 4.213 1.00 0.00 H new ATOM 0 HA HIS A 175 -5.590 5.693 5.855 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -5.217 7.006 3.092 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -6.796 6.820 3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -6.708 8.071 6.661 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -4.141 11.113 5.267 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -5.701 10.422 7.174 1.00 0.00 H new ATOM 664 N CYS A 176 -4.826 3.627 3.683 1.00 0.00 N ATOM 665 CA CYS A 176 -5.208 2.544 2.780 1.00 0.00 C ATOM 666 C CYS A 176 -4.566 1.228 3.218 1.00 0.00 C ATOM 667 O CYS A 176 -4.234 0.384 2.407 1.00 0.00 O ATOM 668 CB CYS A 176 -4.757 2.962 1.362 1.00 0.00 C ATOM 669 SG CYS A 176 -3.900 4.613 1.370 1.00 0.00 S ATOM 0 H CYS A 176 -3.859 3.606 4.006 1.00 0.00 H new ATOM 0 HA CYS A 176 -6.285 2.377 2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 176 -4.085 2.206 0.956 1.00 0.00 H new ATOM 0 HB3 CYS A 176 -5.624 3.005 0.703 1.00 0.00 H new ATOM 0 HG CYS A 176 -3.705 5.007 0.146 1.00 0.00 H new ATOM 674 N SER A 177 -4.433 1.036 4.506 1.00 0.00 N ATOM 675 CA SER A 177 -3.860 -0.238 5.027 1.00 0.00 C ATOM 676 C SER A 177 -4.989 -1.270 5.083 1.00 0.00 C ATOM 677 O SER A 177 -4.785 -2.448 4.858 1.00 0.00 O ATOM 678 CB SER A 177 -3.293 -0.014 6.429 1.00 0.00 C ATOM 679 OG SER A 177 -3.080 -1.272 7.055 1.00 0.00 O ATOM 0 H SER A 177 -4.699 1.712 5.222 1.00 0.00 H new ATOM 0 HA SER A 177 -3.056 -0.588 4.380 1.00 0.00 H new ATOM 0 HB2 SER A 177 -2.356 0.540 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 177 -3.983 0.588 7.021 1.00 0.00 H new ATOM 0 HG SER A 177 -2.715 -1.133 7.954 1.00 0.00 H new ATOM 685 N THR A 178 -6.187 -0.818 5.364 1.00 0.00 N ATOM 686 CA THR A 178 -7.357 -1.736 5.418 1.00 0.00 C ATOM 687 C THR A 178 -8.364 -1.289 4.356 1.00 0.00 C ATOM 688 O THR A 178 -8.194 -0.258 3.733 1.00 0.00 O ATOM 689 CB THR A 178 -8.000 -1.667 6.806 1.00 0.00 C ATOM 690 OG1 THR A 178 -9.200 -2.427 6.810 1.00 0.00 O ATOM 691 CG2 THR A 178 -8.313 -0.212 7.156 1.00 0.00 C ATOM 0 H THR A 178 -6.402 0.160 5.560 1.00 0.00 H new ATOM 0 HA THR A 178 -7.043 -2.762 5.228 1.00 0.00 H new ATOM 0 HB THR A 178 -7.310 -2.074 7.545 1.00 0.00 H new ATOM 0 HG1 THR A 178 -9.611 -2.385 7.699 1.00 0.00 H new ATOM 0 HG21 THR A 178 -8.771 -0.166 8.144 1.00 0.00 H new ATOM 0 HG22 THR A 178 -7.391 0.369 7.156 1.00 0.00 H new ATOM 0 HG23 THR A 178 -9.001 0.200 6.418 1.00 0.00 H new ATOM 699 N LYS A 179 -9.405 -2.054 4.131 1.00 0.00 N ATOM 700 CA LYS A 179 -10.416 -1.668 3.094 1.00 0.00 C ATOM 701 C LYS A 179 -9.746 -1.603 1.712 1.00 0.00 C ATOM 702 O LYS A 179 -10.272 -1.003 0.795 1.00 0.00 O ATOM 703 CB LYS A 179 -11.000 -0.283 3.435 1.00 0.00 C ATOM 704 CG LYS A 179 -12.486 -0.410 3.800 1.00 0.00 C ATOM 705 CD LYS A 179 -13.283 0.703 3.111 1.00 0.00 C ATOM 706 CE LYS A 179 -13.919 0.160 1.829 1.00 0.00 C ATOM 707 NZ LYS A 179 -14.926 1.136 1.325 1.00 0.00 N ATOM 0 H LYS A 179 -9.599 -2.928 4.619 1.00 0.00 H new ATOM 0 HA LYS A 179 -11.212 -2.412 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 179 -10.450 0.157 4.267 1.00 0.00 H new ATOM 0 HB3 LYS A 179 -10.883 0.389 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 179 -12.864 -1.385 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 179 -12.612 -0.345 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 179 -14.056 1.079 3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 179 -12.628 1.542 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 179 -13.152 -0.011 1.074 1.00 0.00 H new ATOM 0 HE3 LYS A 179 -14.394 -0.801 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 179 -15.359 0.769 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 179 -15.663 1.278 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 179 -14.459 2.043 1.124 1.00 0.00 H new ATOM 721 N VAL A 180 -8.590 -2.202 1.561 1.00 0.00 N ATOM 722 CA VAL A 180 -7.885 -2.162 0.248 1.00 0.00 C ATOM 723 C VAL A 180 -8.544 -3.159 -0.740 1.00 0.00 C ATOM 724 O VAL A 180 -8.496 -4.349 -0.508 1.00 0.00 O ATOM 725 CB VAL A 180 -6.412 -2.528 0.478 1.00 0.00 C ATOM 726 CG1 VAL A 180 -6.299 -3.941 1.057 1.00 0.00 C ATOM 727 CG2 VAL A 180 -5.655 -2.448 -0.844 1.00 0.00 C ATOM 0 H VAL A 180 -8.105 -2.718 2.295 1.00 0.00 H new ATOM 0 HA VAL A 180 -7.953 -1.164 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 180 -5.978 -1.824 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.249 -4.187 1.215 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -6.829 -3.988 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -6.738 -4.656 0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -4.609 -2.708 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -6.095 -3.145 -1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -5.719 -1.434 -1.239 1.00 0.00 H new