USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 617 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: B 140 CYS SG : rot 180:sc= -2.19 USER MOD Set 1.2: B 143 CYS SG : rot 104:sc= 0.781 USER MOD Set 1.3: B 155 HIS :FLIP no HD1:sc= -0.762 F(o=-4.7,f=-3.7) USER MOD Set 1.4: B 161 HIS : no HE2:sc= -1.57 K(o=-3.7,f=-6.5!) USER MOD Set 2.1: B 129 CYS SG : rot 10:sc= 0.0349 USER MOD Set 2.2: B 151 CYS SG : rot 179:sc= -1.32! USER MOD Set 3.1: A 140 CYS SG : rot 180:sc= -0.0774 USER MOD Set 3.2: A 143 CYS SG : rot 70:sc= 1.04 USER MOD Set 3.3: A 155 HIS : no HE2:sc= -1.06 K(o=-0.032,f=-2.7) USER MOD Set 3.4: A 161 HIS : no HE2:sc= 0.0653 K(o=-0.032,f=-7.5!) USER MOD Set 4.1: A 129 CYS SG : rot -158:sc= -0.618 USER MOD Set 4.2: A 132 CYS SG : rot 153:sc= 0.74 USER MOD Set 4.3: A 148 CYS SG : rot -55:sc= 0.0613 USER MOD Set 4.4: A 151 CYS SG : rot 82:sc= 1.2 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot -78:sc= 1.1 USER MOD Single : A 145 GLN : amide:sc= -0.848 K(o=-0.85,f=-1.8!) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.037) USER MOD Single : A 160 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.0164) USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 CYS SG : rot 180:sc= 0 USER MOD Single : B 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 135 SER OG : rot -104:sc= 0.924 USER MOD Single : B 145 GLN : amide:sc= -0.606 K(o=-0.61,f=-2.3!) USER MOD Single : B 148 CYS SG : rot -65:sc= -4.42! USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 156 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.028) USER MOD Single : B 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ALA A 127 74.331 0.291 -10.394 1.00 0.00 N ATOM 137 CA ALA A 127 74.766 -0.440 -9.170 1.00 0.00 C ATOM 138 C ALA A 127 75.502 0.508 -8.217 1.00 0.00 C ATOM 139 O ALA A 127 76.675 0.344 -7.947 1.00 0.00 O ATOM 140 CB ALA A 127 75.712 -1.530 -9.675 1.00 0.00 C ATOM 0 HA ALA A 127 73.923 -0.854 -8.617 1.00 0.00 H new ATOM 0 HB1 ALA A 127 76.077 -2.115 -8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 127 75.179 -2.183 -10.365 1.00 0.00 H new ATOM 0 HB3 ALA A 127 76.556 -1.070 -10.190 1.00 0.00 H new ATOM 146 N VAL A 128 74.819 1.495 -7.704 1.00 0.00 N ATOM 147 CA VAL A 128 75.477 2.449 -6.766 1.00 0.00 C ATOM 148 C VAL A 128 74.440 3.076 -5.833 1.00 0.00 C ATOM 149 O VAL A 128 73.256 3.062 -6.106 1.00 0.00 O ATOM 150 CB VAL A 128 76.119 3.517 -7.651 1.00 0.00 C ATOM 151 CG1 VAL A 128 77.375 2.945 -8.307 1.00 0.00 C ATOM 152 CG2 VAL A 128 75.128 3.955 -8.732 1.00 0.00 C ATOM 0 H VAL A 128 73.834 1.682 -7.894 1.00 0.00 H new ATOM 0 HA VAL A 128 76.215 1.954 -6.135 1.00 0.00 H new ATOM 0 HB VAL A 128 76.388 4.379 -7.041 1.00 0.00 H new ATOM 0 HG11 VAL A 128 77.834 3.706 -8.939 1.00 0.00 H new ATOM 0 HG12 VAL A 128 78.081 2.639 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 128 77.107 2.082 -8.916 1.00 0.00 H new ATOM 0 HG21 VAL A 128 75.589 4.716 -9.361 1.00 0.00 H new ATOM 0 HG22 VAL A 128 74.854 3.096 -9.344 1.00 0.00 H new ATOM 0 HG23 VAL A 128 74.234 4.365 -8.262 1.00 0.00 H new ATOM 162 N CYS A 129 74.879 3.619 -4.730 1.00 0.00 N ATOM 163 CA CYS A 129 73.925 4.246 -3.767 1.00 0.00 C ATOM 164 C CYS A 129 72.943 5.162 -4.499 1.00 0.00 C ATOM 165 O CYS A 129 73.220 5.654 -5.575 1.00 0.00 O ATOM 166 CB CYS A 129 74.799 5.062 -2.816 1.00 0.00 C ATOM 167 SG CYS A 129 73.801 5.638 -1.421 1.00 0.00 S ATOM 0 H CYS A 129 75.860 3.656 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 129 73.329 3.499 -3.242 1.00 0.00 H new ATOM 0 HB2 CYS A 129 75.629 4.454 -2.456 1.00 0.00 H new ATOM 0 HB3 CYS A 129 75.232 5.913 -3.343 1.00 0.00 H new ATOM 0 HG CYS A 129 74.371 6.672 -0.877 1.00 0.00 H new ATOM 172 N THR A 130 71.797 5.396 -3.923 1.00 0.00 N ATOM 173 CA THR A 130 70.802 6.284 -4.585 1.00 0.00 C ATOM 174 C THR A 130 71.122 7.748 -4.276 1.00 0.00 C ATOM 175 O THR A 130 70.876 8.631 -5.074 1.00 0.00 O ATOM 176 CB THR A 130 69.450 5.887 -3.988 1.00 0.00 C ATOM 177 OG1 THR A 130 68.411 6.556 -4.687 1.00 0.00 O ATOM 178 CG2 THR A 130 69.405 6.276 -2.510 1.00 0.00 C ATOM 0 H THR A 130 71.507 5.011 -3.024 1.00 0.00 H new ATOM 0 HA THR A 130 70.808 6.178 -5.670 1.00 0.00 H new ATOM 0 HB THR A 130 69.316 4.809 -4.080 1.00 0.00 H new ATOM 0 HG1 THR A 130 67.544 6.302 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 130 68.441 5.992 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 130 70.202 5.761 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 130 69.540 7.353 -2.413 1.00 0.00 H new ATOM 186 N ARG A 131 71.677 8.012 -3.123 1.00 0.00 N ATOM 187 CA ARG A 131 72.022 9.417 -2.764 1.00 0.00 C ATOM 188 C ARG A 131 73.449 9.732 -3.217 1.00 0.00 C ATOM 189 O ARG A 131 73.693 10.706 -3.900 1.00 0.00 O ATOM 190 CB ARG A 131 71.916 9.478 -1.239 1.00 0.00 C ATOM 191 CG ARG A 131 72.105 10.925 -0.774 1.00 0.00 C ATOM 192 CD ARG A 131 71.236 11.183 0.460 1.00 0.00 C ATOM 193 NE ARG A 131 70.931 12.642 0.413 1.00 0.00 N ATOM 194 CZ ARG A 131 70.228 13.193 1.364 1.00 0.00 C ATOM 195 NH1 ARG A 131 69.314 12.500 1.988 1.00 0.00 N1+ ATOM 196 NH2 ARG A 131 70.439 14.439 1.693 1.00 0.00 N ATOM 0 H ARG A 131 71.906 7.315 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 131 71.364 10.142 -3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 131 70.944 9.104 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 131 72.671 8.837 -0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 131 73.153 11.108 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 131 71.833 11.614 -1.574 1.00 0.00 H new ATOM 0 HD2 ARG A 131 70.324 10.587 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 131 71.763 10.918 1.377 1.00 0.00 H new ATOM 0 HE ARG A 131 71.272 13.209 -0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 131 69.149 11.527 1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 131 68.765 12.932 2.731 1.00 0.00 H new ATOM 0 HH21 ARG A 131 71.153 14.981 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 131 69.890 14.870 2.436 1.00 0.00 H new ATOM 210 N CYS A 132 74.393 8.908 -2.848 1.00 0.00 N ATOM 211 CA CYS A 132 75.802 9.156 -3.267 1.00 0.00 C ATOM 212 C CYS A 132 75.965 8.806 -4.748 1.00 0.00 C ATOM 213 O CYS A 132 76.818 9.334 -5.431 1.00 0.00 O ATOM 214 CB CYS A 132 76.650 8.227 -2.396 1.00 0.00 C ATOM 215 SG CYS A 132 76.179 8.429 -0.660 1.00 0.00 S ATOM 0 H CYS A 132 74.249 8.076 -2.276 1.00 0.00 H new ATOM 0 HA CYS A 132 76.098 10.198 -3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 132 76.507 7.191 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 132 77.708 8.455 -2.526 1.00 0.00 H new ATOM 0 HG CYS A 132 76.433 7.332 -0.011 1.00 0.00 H new ATOM 220 N LYS A 133 75.142 7.921 -5.243 1.00 0.00 N ATOM 221 CA LYS A 133 75.226 7.528 -6.681 1.00 0.00 C ATOM 222 C LYS A 133 76.534 6.776 -6.966 1.00 0.00 C ATOM 223 O LYS A 133 76.879 6.521 -8.101 1.00 0.00 O ATOM 224 CB LYS A 133 75.122 8.859 -7.457 1.00 0.00 C ATOM 225 CG LYS A 133 76.463 9.275 -8.082 1.00 0.00 C ATOM 226 CD LYS A 133 76.548 8.740 -9.515 1.00 0.00 C ATOM 227 CE LYS A 133 78.009 8.452 -9.867 1.00 0.00 C ATOM 228 NZ LYS A 133 78.300 9.330 -11.035 1.00 0.00 N1+ ATOM 0 H LYS A 133 74.411 7.450 -4.710 1.00 0.00 H new ATOM 0 HA LYS A 133 74.436 6.839 -6.979 1.00 0.00 H new ATOM 0 HB2 LYS A 133 74.372 8.762 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 133 74.778 9.644 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 133 76.555 10.361 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 133 77.290 8.885 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 133 75.954 7.831 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 133 76.132 9.468 -10.211 1.00 0.00 H new ATOM 0 HE2 LYS A 133 78.669 8.677 -9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 133 78.156 7.401 -10.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 79.285 9.191 -11.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 77.660 9.089 -11.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 78.158 10.324 -10.766 1.00 0.00 H new ATOM 242 N GLU A 134 77.258 6.401 -5.944 1.00 0.00 N ATOM 243 CA GLU A 134 78.530 5.656 -6.171 1.00 0.00 C ATOM 244 C GLU A 134 79.126 5.199 -4.836 1.00 0.00 C ATOM 245 O GLU A 134 78.581 5.452 -3.781 1.00 0.00 O ATOM 246 CB GLU A 134 79.460 6.655 -6.859 1.00 0.00 C ATOM 247 CG GLU A 134 79.886 7.731 -5.858 1.00 0.00 C ATOM 248 CD GLU A 134 80.485 8.919 -6.613 1.00 0.00 C ATOM 249 OE1 GLU A 134 81.661 8.863 -6.932 1.00 0.00 O1- ATOM 250 OE2 GLU A 134 79.757 9.867 -6.858 1.00 0.00 O ATOM 0 H GLU A 134 77.025 6.578 -4.967 1.00 0.00 H new ATOM 0 HA GLU A 134 78.378 4.760 -6.772 1.00 0.00 H new ATOM 0 HB2 GLU A 134 80.337 6.140 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 134 78.954 7.114 -7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 134 79.028 8.055 -5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 134 80.617 7.324 -5.159 1.00 0.00 H new ATOM 257 N SER A 135 80.246 4.531 -4.880 1.00 0.00 N ATOM 258 CA SER A 135 80.893 4.054 -3.622 1.00 0.00 C ATOM 259 C SER A 135 79.942 3.147 -2.832 1.00 0.00 C ATOM 260 O SER A 135 79.892 3.195 -1.619 1.00 0.00 O ATOM 261 CB SER A 135 81.213 5.320 -2.827 1.00 0.00 C ATOM 262 OG SER A 135 82.593 5.628 -2.965 1.00 0.00 O ATOM 0 H SER A 135 80.744 4.293 -5.738 1.00 0.00 H new ATOM 0 HA SER A 135 81.787 3.465 -3.826 1.00 0.00 H new ATOM 0 HB2 SER A 135 80.606 6.151 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 135 80.965 5.175 -1.776 1.00 0.00 H new ATOM 0 HG SER A 135 83.118 5.048 -2.375 1.00 0.00 H new ATOM 268 N ALA A 136 79.194 2.314 -3.506 1.00 0.00 N ATOM 269 CA ALA A 136 78.258 1.404 -2.782 1.00 0.00 C ATOM 270 C ALA A 136 78.279 0.007 -3.408 1.00 0.00 C ATOM 271 O ALA A 136 78.227 -0.147 -4.612 1.00 0.00 O ATOM 272 CB ALA A 136 76.879 2.040 -2.943 1.00 0.00 C ATOM 0 H ALA A 136 79.190 2.224 -4.522 1.00 0.00 H new ATOM 0 HA ALA A 136 78.533 1.285 -1.734 1.00 0.00 H new ATOM 0 HB1 ALA A 136 76.134 1.427 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 136 76.886 3.039 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 136 76.632 2.109 -4.002 1.00 0.00 H new ATOM 278 N ASP A 137 78.354 -1.014 -2.598 1.00 0.00 N ATOM 279 CA ASP A 137 78.377 -2.402 -3.144 1.00 0.00 C ATOM 280 C ASP A 137 77.281 -3.247 -2.486 1.00 0.00 C ATOM 281 O ASP A 137 77.426 -4.439 -2.311 1.00 0.00 O ATOM 282 CB ASP A 137 79.759 -2.947 -2.787 1.00 0.00 C ATOM 283 CG ASP A 137 80.487 -3.369 -4.065 1.00 0.00 C ATOM 284 OD1 ASP A 137 79.813 -3.712 -5.022 1.00 0.00 O1- ATOM 285 OD2 ASP A 137 81.707 -3.342 -4.065 1.00 0.00 O ATOM 0 H ASP A 137 78.400 -0.947 -1.581 1.00 0.00 H new ATOM 0 HA ASP A 137 78.195 -2.425 -4.219 1.00 0.00 H new ATOM 0 HB2 ASP A 137 80.337 -2.187 -2.261 1.00 0.00 H new ATOM 0 HB3 ASP A 137 79.663 -3.798 -2.113 1.00 0.00 H new ATOM 290 N PHE A 138 76.187 -2.636 -2.120 1.00 0.00 N ATOM 291 CA PHE A 138 75.085 -3.405 -1.474 1.00 0.00 C ATOM 292 C PHE A 138 73.744 -2.705 -1.708 1.00 0.00 C ATOM 293 O PHE A 138 73.657 -1.492 -1.709 1.00 0.00 O ATOM 294 CB PHE A 138 75.427 -3.415 0.016 1.00 0.00 C ATOM 295 CG PHE A 138 76.334 -4.585 0.320 1.00 0.00 C ATOM 296 CD1 PHE A 138 75.791 -5.863 0.505 1.00 0.00 C ATOM 297 CD2 PHE A 138 77.716 -4.391 0.419 1.00 0.00 C ATOM 298 CE1 PHE A 138 76.632 -6.946 0.789 1.00 0.00 C ATOM 299 CE2 PHE A 138 78.557 -5.474 0.702 1.00 0.00 C ATOM 300 CZ PHE A 138 78.015 -6.751 0.888 1.00 0.00 C ATOM 0 H PHE A 138 76.009 -1.639 -2.240 1.00 0.00 H new ATOM 0 HA PHE A 138 74.995 -4.413 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 138 75.916 -2.481 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 138 74.515 -3.485 0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 138 74.724 -6.013 0.429 1.00 0.00 H new ATOM 0 HD2 PHE A 138 78.134 -3.405 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 138 76.214 -7.932 0.932 1.00 0.00 H new ATOM 0 HE2 PHE A 138 79.624 -5.324 0.777 1.00 0.00 H new ATOM 0 HZ PHE A 138 78.664 -7.586 1.108 1.00 0.00 H new ATOM 310 N TRP A 139 72.697 -3.458 -1.900 1.00 0.00 N ATOM 311 CA TRP A 139 71.362 -2.837 -2.128 1.00 0.00 C ATOM 312 C TRP A 139 70.296 -3.575 -1.315 1.00 0.00 C ATOM 313 O TRP A 139 70.291 -4.787 -1.236 1.00 0.00 O ATOM 314 CB TRP A 139 71.104 -2.983 -3.630 1.00 0.00 C ATOM 315 CG TRP A 139 70.134 -4.096 -3.874 1.00 0.00 C ATOM 316 CD1 TRP A 139 68.788 -3.993 -3.767 1.00 0.00 C ATOM 317 CD2 TRP A 139 70.409 -5.470 -4.272 1.00 0.00 C ATOM 318 NE1 TRP A 139 68.222 -5.220 -4.067 1.00 0.00 N ATOM 319 CE2 TRP A 139 69.179 -6.161 -4.387 1.00 0.00 C ATOM 320 CE3 TRP A 139 71.594 -6.177 -4.541 1.00 0.00 C ATOM 321 CZ2 TRP A 139 69.128 -7.506 -4.754 1.00 0.00 C ATOM 322 CZ3 TRP A 139 71.547 -7.531 -4.912 1.00 0.00 C ATOM 323 CH2 TRP A 139 70.316 -8.194 -5.018 1.00 0.00 C ATOM 0 H TRP A 139 72.708 -4.478 -1.909 1.00 0.00 H new ATOM 0 HA TRP A 139 71.330 -1.793 -1.816 1.00 0.00 H new ATOM 0 HB2 TRP A 139 70.709 -2.050 -4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 139 72.040 -3.184 -4.151 1.00 0.00 H new ATOM 0 HD1 TRP A 139 68.245 -3.100 -3.493 1.00 0.00 H new ATOM 0 HE1 TRP A 139 67.219 -5.406 -4.053 1.00 0.00 H new ATOM 0 HE3 TRP A 139 72.547 -5.676 -4.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 68.177 -8.012 -4.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 72.464 -8.064 -5.117 1.00 0.00 H new ATOM 0 HH2 TRP A 139 70.286 -9.235 -5.303 1.00 0.00 H new ATOM 334 N CYS A 140 69.395 -2.854 -0.706 1.00 0.00 N ATOM 335 CA CYS A 140 68.334 -3.515 0.104 1.00 0.00 C ATOM 336 C CYS A 140 67.251 -4.095 -0.809 1.00 0.00 C ATOM 337 O CYS A 140 66.713 -3.416 -1.661 1.00 0.00 O ATOM 338 CB CYS A 140 67.757 -2.405 0.981 1.00 0.00 C ATOM 339 SG CYS A 140 68.665 -2.340 2.546 1.00 0.00 S ATOM 0 H CYS A 140 69.348 -1.835 -0.735 1.00 0.00 H new ATOM 0 HA CYS A 140 68.724 -4.343 0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 140 67.828 -1.447 0.467 1.00 0.00 H new ATOM 0 HB3 CYS A 140 66.699 -2.588 1.169 1.00 0.00 H new ATOM 0 HG CYS A 140 68.176 -1.395 3.292 1.00 0.00 H new ATOM 344 N PHE A 141 66.923 -5.347 -0.636 1.00 0.00 N ATOM 345 CA PHE A 141 65.873 -5.968 -1.493 1.00 0.00 C ATOM 346 C PHE A 141 64.490 -5.447 -1.091 1.00 0.00 C ATOM 347 O PHE A 141 63.618 -5.275 -1.918 1.00 0.00 O ATOM 348 CB PHE A 141 65.979 -7.470 -1.229 1.00 0.00 C ATOM 349 CG PHE A 141 64.936 -8.197 -2.044 1.00 0.00 C ATOM 350 CD1 PHE A 141 63.615 -8.268 -1.586 1.00 0.00 C ATOM 351 CD2 PHE A 141 65.290 -8.799 -3.257 1.00 0.00 C ATOM 352 CE1 PHE A 141 62.648 -8.941 -2.342 1.00 0.00 C ATOM 353 CE2 PHE A 141 64.323 -9.472 -4.013 1.00 0.00 C ATOM 354 CZ PHE A 141 63.001 -9.543 -3.555 1.00 0.00 C ATOM 0 H PHE A 141 67.337 -5.966 0.061 1.00 0.00 H new ATOM 0 HA PHE A 141 66.008 -5.732 -2.549 1.00 0.00 H new ATOM 0 HB2 PHE A 141 66.975 -7.827 -1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 141 65.836 -7.675 -0.168 1.00 0.00 H new ATOM 0 HD1 PHE A 141 63.342 -7.804 -0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 141 66.309 -8.744 -3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 141 61.629 -8.996 -1.989 1.00 0.00 H new ATOM 0 HE2 PHE A 141 64.596 -9.936 -4.949 1.00 0.00 H new ATOM 0 HZ PHE A 141 62.255 -10.062 -4.138 1.00 0.00 H new ATOM 364 N GLU A 142 64.286 -5.194 0.174 1.00 0.00 N ATOM 365 CA GLU A 142 62.959 -4.684 0.627 1.00 0.00 C ATOM 366 C GLU A 142 62.811 -3.206 0.260 1.00 0.00 C ATOM 367 O GLU A 142 61.832 -2.797 -0.333 1.00 0.00 O ATOM 368 CB GLU A 142 62.963 -4.863 2.145 1.00 0.00 C ATOM 369 CG GLU A 142 62.427 -6.253 2.495 1.00 0.00 C ATOM 370 CD GLU A 142 62.388 -6.419 4.017 1.00 0.00 C ATOM 371 OE1 GLU A 142 62.996 -5.609 4.697 1.00 0.00 O1- ATOM 372 OE2 GLU A 142 61.751 -7.354 4.474 1.00 0.00 O ATOM 0 H GLU A 142 64.979 -5.318 0.912 1.00 0.00 H new ATOM 0 HA GLU A 142 62.129 -5.213 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 142 63.974 -4.743 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 142 62.348 -4.095 2.614 1.00 0.00 H new ATOM 0 HG2 GLU A 142 61.428 -6.384 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 142 63.061 -7.021 2.051 1.00 0.00 H new ATOM 379 N CYS A 143 63.779 -2.402 0.602 1.00 0.00 N ATOM 380 CA CYS A 143 63.698 -0.950 0.270 1.00 0.00 C ATOM 381 C CYS A 143 63.855 -0.742 -1.240 1.00 0.00 C ATOM 382 O CYS A 143 63.487 0.284 -1.776 1.00 0.00 O ATOM 383 CB CYS A 143 64.860 -0.307 1.024 1.00 0.00 C ATOM 384 SG CYS A 143 64.687 -0.634 2.795 1.00 0.00 S ATOM 0 H CYS A 143 64.624 -2.687 1.097 1.00 0.00 H new ATOM 0 HA CYS A 143 62.739 -0.515 0.551 1.00 0.00 H new ATOM 0 HB2 CYS A 143 65.807 -0.705 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 143 64.875 0.768 0.842 1.00 0.00 H new ATOM 0 HG CYS A 143 64.906 -1.894 3.027 1.00 0.00 H new ATOM 389 N GLU A 144 64.403 -1.708 -1.929 1.00 0.00 N ATOM 390 CA GLU A 144 64.586 -1.562 -3.402 1.00 0.00 C ATOM 391 C GLU A 144 65.467 -0.348 -3.704 1.00 0.00 C ATOM 392 O GLU A 144 65.259 0.358 -4.671 1.00 0.00 O ATOM 393 CB GLU A 144 63.179 -1.355 -3.961 1.00 0.00 C ATOM 394 CG GLU A 144 62.207 -2.311 -3.267 1.00 0.00 C ATOM 395 CD GLU A 144 61.087 -2.693 -4.238 1.00 0.00 C ATOM 396 OE1 GLU A 144 61.372 -2.826 -5.416 1.00 0.00 O ATOM 397 OE2 GLU A 144 59.965 -2.846 -3.785 1.00 0.00 O1- ATOM 0 H GLU A 144 64.731 -2.590 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 144 65.074 -2.430 -3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 144 62.863 -0.323 -3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 144 63.174 -1.532 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 144 62.735 -3.205 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU A 144 61.787 -1.839 -2.379 1.00 0.00 H new ATOM 404 N GLN A 145 66.449 -0.097 -2.883 1.00 0.00 N ATOM 405 CA GLN A 145 67.342 1.071 -3.121 1.00 0.00 C ATOM 406 C GLN A 145 68.791 0.708 -2.790 1.00 0.00 C ATOM 407 O GLN A 145 69.055 -0.140 -1.960 1.00 0.00 O ATOM 408 CB GLN A 145 66.831 2.158 -2.175 1.00 0.00 C ATOM 409 CG GLN A 145 67.242 1.818 -0.740 1.00 0.00 C ATOM 410 CD GLN A 145 66.582 2.805 0.226 1.00 0.00 C ATOM 411 OE1 GLN A 145 65.372 2.911 0.274 1.00 0.00 O ATOM 412 NE2 GLN A 145 67.332 3.540 1.002 1.00 0.00 N ATOM 0 H GLN A 145 66.672 -0.651 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 145 67.328 1.396 -4.161 1.00 0.00 H new ATOM 0 HB2 GLN A 145 67.240 3.127 -2.462 1.00 0.00 H new ATOM 0 HB3 GLN A 145 65.746 2.236 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 145 66.943 0.799 -0.496 1.00 0.00 H new ATOM 0 HG3 GLN A 145 68.326 1.864 -0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 145 68.347 3.452 0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 145 66.902 4.202 1.648 1.00 0.00 H new ATOM 421 N LEU A 146 69.732 1.343 -3.433 1.00 0.00 N ATOM 422 CA LEU A 146 71.164 1.034 -3.155 1.00 0.00 C ATOM 423 C LEU A 146 71.684 1.918 -2.019 1.00 0.00 C ATOM 424 O LEU A 146 71.195 3.007 -1.792 1.00 0.00 O ATOM 425 CB LEU A 146 71.896 1.348 -4.460 1.00 0.00 C ATOM 426 CG LEU A 146 71.459 0.358 -5.540 1.00 0.00 C ATOM 427 CD1 LEU A 146 71.048 1.125 -6.798 1.00 0.00 C ATOM 428 CD2 LEU A 146 72.620 -0.580 -5.872 1.00 0.00 C ATOM 0 H LEU A 146 69.572 2.062 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 146 71.312 -0.000 -2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 146 71.677 2.368 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 146 72.974 1.286 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 146 70.613 -0.226 -5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 146 70.736 0.420 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 146 70.220 1.794 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 146 71.894 1.709 -7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 146 72.309 -1.286 -6.642 1.00 0.00 H new ATOM 0 HD22 LEU A 146 73.466 0.003 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 146 72.914 -1.127 -4.976 1.00 0.00 H new ATOM 440 N LEU A 147 72.675 1.459 -1.304 1.00 0.00 N ATOM 441 CA LEU A 147 73.227 2.272 -0.183 1.00 0.00 C ATOM 442 C LEU A 147 74.739 2.062 -0.078 1.00 0.00 C ATOM 443 O LEU A 147 75.228 0.953 -0.165 1.00 0.00 O ATOM 444 CB LEU A 147 72.524 1.751 1.071 1.00 0.00 C ATOM 445 CG LEU A 147 71.137 2.386 1.186 1.00 0.00 C ATOM 446 CD1 LEU A 147 70.438 1.861 2.441 1.00 0.00 C ATOM 447 CD2 LEU A 147 71.277 3.907 1.284 1.00 0.00 C ATOM 0 H LEU A 147 73.126 0.556 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 147 73.062 3.340 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 147 72.435 0.666 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 147 73.116 1.985 1.956 1.00 0.00 H new ATOM 0 HG LEU A 147 70.548 2.130 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 147 69.450 2.313 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 147 70.337 0.778 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 147 71.029 2.117 3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 147 70.288 4.359 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 147 71.867 4.162 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 147 71.776 4.285 0.391 1.00 0.00 H new ATOM 459 N CYS A 148 75.482 3.117 0.112 1.00 0.00 N ATOM 460 CA CYS A 148 76.961 2.976 0.222 1.00 0.00 C ATOM 461 C CYS A 148 77.331 2.373 1.581 1.00 0.00 C ATOM 462 O CYS A 148 76.546 2.385 2.508 1.00 0.00 O ATOM 463 CB CYS A 148 77.505 4.400 0.094 1.00 0.00 C ATOM 464 SG CYS A 148 76.875 5.412 1.456 1.00 0.00 S ATOM 0 H CYS A 148 75.129 4.070 0.196 1.00 0.00 H new ATOM 0 HA CYS A 148 77.374 2.316 -0.540 1.00 0.00 H new ATOM 0 HB2 CYS A 148 78.595 4.387 0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 148 77.206 4.830 -0.862 1.00 0.00 H new ATOM 0 HG CYS A 148 75.576 5.355 1.475 1.00 0.00 H new ATOM 469 N ALA A 149 78.519 1.841 1.703 1.00 0.00 N ATOM 470 CA ALA A 149 78.935 1.234 3.001 1.00 0.00 C ATOM 471 C ALA A 149 78.635 2.194 4.154 1.00 0.00 C ATOM 472 O ALA A 149 78.229 1.787 5.224 1.00 0.00 O ATOM 473 CB ALA A 149 80.441 1.006 2.869 1.00 0.00 C ATOM 0 H ALA A 149 79.218 1.801 0.961 1.00 0.00 H new ATOM 0 HA ALA A 149 78.401 0.308 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 149 80.823 0.560 3.787 1.00 0.00 H new ATOM 0 HB2 ALA A 149 80.636 0.336 2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 149 80.939 1.959 2.694 1.00 0.00 H new ATOM 479 N LYS A 150 78.826 3.467 3.944 1.00 0.00 N ATOM 480 CA LYS A 150 78.545 4.451 5.028 1.00 0.00 C ATOM 481 C LYS A 150 77.059 4.416 5.391 1.00 0.00 C ATOM 482 O LYS A 150 76.678 4.676 6.516 1.00 0.00 O ATOM 483 CB LYS A 150 78.925 5.810 4.440 1.00 0.00 C ATOM 484 CG LYS A 150 78.508 6.919 5.408 1.00 0.00 C ATOM 485 CD LYS A 150 79.343 6.817 6.686 1.00 0.00 C ATOM 486 CE LYS A 150 78.411 6.760 7.899 1.00 0.00 C ATOM 487 NZ LYS A 150 79.269 7.137 9.057 1.00 0.00 N1+ ATOM 0 H LYS A 150 79.164 3.869 3.070 1.00 0.00 H new ATOM 0 HA LYS A 150 79.102 4.236 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 150 79.999 5.853 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 150 78.436 5.951 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 150 78.651 7.895 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 150 77.448 6.831 5.645 1.00 0.00 H new ATOM 0 HD2 LYS A 150 79.970 5.926 6.653 1.00 0.00 H new ATOM 0 HD3 LYS A 150 80.011 7.675 6.767 1.00 0.00 H new ATOM 0 HE2 LYS A 150 77.573 7.448 7.787 1.00 0.00 H new ATOM 0 HE3 LYS A 150 77.989 5.763 8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 78.702 7.121 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 80.054 6.460 9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 79.651 8.093 8.909 1.00 0.00 H new ATOM 501 N CYS A 151 76.217 4.094 4.447 1.00 0.00 N ATOM 502 CA CYS A 151 74.755 4.039 4.734 1.00 0.00 C ATOM 503 C CYS A 151 74.347 2.613 5.117 1.00 0.00 C ATOM 504 O CYS A 151 73.613 2.399 6.060 1.00 0.00 O ATOM 505 CB CYS A 151 74.077 4.457 3.428 1.00 0.00 C ATOM 506 SG CYS A 151 74.230 6.247 3.212 1.00 0.00 S ATOM 0 H CYS A 151 76.479 3.866 3.488 1.00 0.00 H new ATOM 0 HA CYS A 151 74.472 4.686 5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 151 74.535 3.938 2.586 1.00 0.00 H new ATOM 0 HB3 CYS A 151 73.025 4.171 3.444 1.00 0.00 H new ATOM 0 HG CYS A 151 75.396 6.525 2.709 1.00 0.00 H new ATOM 511 N PHE A 152 74.818 1.638 4.388 1.00 0.00 N ATOM 512 CA PHE A 152 74.458 0.226 4.706 1.00 0.00 C ATOM 513 C PHE A 152 74.847 -0.109 6.148 1.00 0.00 C ATOM 514 O PHE A 152 74.057 -0.634 6.909 1.00 0.00 O ATOM 515 CB PHE A 152 75.266 -0.619 3.722 1.00 0.00 C ATOM 516 CG PHE A 152 75.253 -2.062 4.167 1.00 0.00 C ATOM 517 CD1 PHE A 152 74.103 -2.603 4.753 1.00 0.00 C ATOM 518 CD2 PHE A 152 76.391 -2.859 3.993 1.00 0.00 C ATOM 519 CE1 PHE A 152 74.090 -3.940 5.166 1.00 0.00 C ATOM 520 CE2 PHE A 152 76.379 -4.196 4.406 1.00 0.00 C ATOM 521 CZ PHE A 152 75.228 -4.737 4.993 1.00 0.00 C ATOM 0 H PHE A 152 75.437 1.758 3.586 1.00 0.00 H new ATOM 0 HA PHE A 152 73.387 0.043 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 152 74.844 -0.533 2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 152 76.291 -0.253 3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 152 73.225 -1.988 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 152 77.278 -2.442 3.540 1.00 0.00 H new ATOM 0 HE1 PHE A 152 73.202 -4.357 5.618 1.00 0.00 H new ATOM 0 HE2 PHE A 152 77.257 -4.811 4.272 1.00 0.00 H new ATOM 0 HZ PHE A 152 75.218 -5.769 5.312 1.00 0.00 H new ATOM 531 N GLU A 153 76.058 0.189 6.529 1.00 0.00 N ATOM 532 CA GLU A 153 76.497 -0.114 7.921 1.00 0.00 C ATOM 533 C GLU A 153 75.561 0.556 8.930 1.00 0.00 C ATOM 534 O GLU A 153 75.354 0.064 10.021 1.00 0.00 O ATOM 535 CB GLU A 153 77.907 0.468 8.027 1.00 0.00 C ATOM 536 CG GLU A 153 78.241 0.731 9.496 1.00 0.00 C ATOM 537 CD GLU A 153 79.727 1.073 9.625 1.00 0.00 C ATOM 538 OE1 GLU A 153 80.508 0.532 8.860 1.00 0.00 O1- ATOM 539 OE2 GLU A 153 80.058 1.869 10.487 1.00 0.00 O ATOM 0 H GLU A 153 76.763 0.629 5.937 1.00 0.00 H new ATOM 0 HA GLU A 153 76.480 -1.183 8.136 1.00 0.00 H new ATOM 0 HB2 GLU A 153 78.631 -0.224 7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 153 77.973 1.394 7.456 1.00 0.00 H new ATOM 0 HG2 GLU A 153 77.633 1.551 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 153 78.005 -0.147 10.097 1.00 0.00 H new ATOM 546 N ALA A 154 74.994 1.675 8.575 1.00 0.00 N ATOM 547 CA ALA A 154 74.070 2.375 9.513 1.00 0.00 C ATOM 548 C ALA A 154 72.719 1.655 9.557 1.00 0.00 C ATOM 549 O ALA A 154 72.071 1.591 10.583 1.00 0.00 O ATOM 550 CB ALA A 154 73.909 3.780 8.933 1.00 0.00 C ATOM 0 H ALA A 154 75.130 2.136 7.675 1.00 0.00 H new ATOM 0 HA ALA A 154 74.453 2.396 10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 154 73.241 4.361 9.568 1.00 0.00 H new ATOM 0 HB2 ALA A 154 74.882 4.269 8.887 1.00 0.00 H new ATOM 0 HB3 ALA A 154 73.489 3.713 7.929 1.00 0.00 H new ATOM 556 N HIS A 155 72.291 1.113 8.450 1.00 0.00 N ATOM 557 CA HIS A 155 70.984 0.396 8.424 1.00 0.00 C ATOM 558 C HIS A 155 71.057 -0.871 9.280 1.00 0.00 C ATOM 559 O HIS A 155 70.206 -1.121 10.111 1.00 0.00 O ATOM 560 CB HIS A 155 70.762 0.036 6.955 1.00 0.00 C ATOM 561 CG HIS A 155 69.289 -0.061 6.677 1.00 0.00 C ATOM 562 ND1 HIS A 155 68.434 1.020 6.826 1.00 0.00 N ATOM 563 CD2 HIS A 155 68.503 -1.106 6.256 1.00 0.00 C ATOM 564 CE1 HIS A 155 67.197 0.606 6.500 1.00 0.00 C ATOM 565 NE2 HIS A 155 67.181 -0.681 6.145 1.00 0.00 N ATOM 0 H HIS A 155 72.790 1.136 7.561 1.00 0.00 H new ATOM 0 HA HIS A 155 70.172 1.003 8.825 1.00 0.00 H new ATOM 0 HB2 HIS A 155 71.215 0.791 6.313 1.00 0.00 H new ATOM 0 HB3 HIS A 155 71.249 -0.912 6.725 1.00 0.00 H new ATOM 0 HD1 HIS A 155 68.696 1.958 7.128 1.00 0.00 H new ATOM 0 HD2 HIS A 155 68.856 -2.104 6.044 1.00 0.00 H new ATOM 0 HE1 HIS A 155 66.322 1.238 6.523 1.00 0.00 H new ATOM 573 N GLN A 156 72.067 -1.672 9.083 1.00 0.00 N ATOM 574 CA GLN A 156 72.196 -2.925 9.883 1.00 0.00 C ATOM 575 C GLN A 156 72.471 -2.592 11.352 1.00 0.00 C ATOM 576 O GLN A 156 72.170 -3.366 12.239 1.00 0.00 O ATOM 577 CB GLN A 156 73.385 -3.663 9.269 1.00 0.00 C ATOM 578 CG GLN A 156 73.521 -5.039 9.923 1.00 0.00 C ATOM 579 CD GLN A 156 72.433 -5.968 9.385 1.00 0.00 C ATOM 580 OE1 GLN A 156 71.446 -6.216 10.048 1.00 0.00 O ATOM 581 NE2 GLN A 156 72.571 -6.496 8.199 1.00 0.00 N ATOM 0 H GLN A 156 72.810 -1.514 8.402 1.00 0.00 H new ATOM 0 HA GLN A 156 71.286 -3.525 9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 156 73.244 -3.772 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 156 74.299 -3.087 9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 156 74.506 -5.457 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 156 73.435 -4.949 11.006 1.00 0.00 H new ATOM 0 HE21 GLN A 156 73.400 -6.288 7.642 1.00 0.00 H new ATOM 0 HE22 GLN A 156 71.850 -7.116 7.830 1.00 0.00 H new ATOM 590 N TRP A 157 73.042 -1.450 11.618 1.00 0.00 N ATOM 591 CA TRP A 157 73.336 -1.073 13.030 1.00 0.00 C ATOM 592 C TRP A 157 72.138 -0.343 13.643 1.00 0.00 C ATOM 593 O TRP A 157 71.898 -0.412 14.832 1.00 0.00 O ATOM 594 CB TRP A 157 74.547 -0.144 12.950 1.00 0.00 C ATOM 595 CG TRP A 157 75.239 -0.107 14.275 1.00 0.00 C ATOM 596 CD1 TRP A 157 74.835 -0.774 15.379 1.00 0.00 C ATOM 597 CD2 TRP A 157 76.442 0.622 14.652 1.00 0.00 C ATOM 598 NE1 TRP A 157 75.715 -0.503 16.411 1.00 0.00 N ATOM 599 CE2 TRP A 157 76.722 0.354 16.013 1.00 0.00 C ATOM 600 CE3 TRP A 157 77.309 1.481 13.953 1.00 0.00 C ATOM 601 CZ2 TRP A 157 77.824 0.918 16.658 1.00 0.00 C ATOM 602 CZ3 TRP A 157 78.419 2.051 14.600 1.00 0.00 C ATOM 603 CH2 TRP A 157 78.676 1.770 15.949 1.00 0.00 C ATOM 0 H TRP A 157 73.318 -0.761 10.919 1.00 0.00 H new ATOM 0 HA TRP A 157 73.532 -1.943 13.657 1.00 0.00 H new ATOM 0 HB2 TRP A 157 75.234 -0.492 12.179 1.00 0.00 H new ATOM 0 HB3 TRP A 157 74.230 0.859 12.666 1.00 0.00 H new ATOM 0 HD1 TRP A 157 73.967 -1.414 15.445 1.00 0.00 H new ATOM 0 HE1 TRP A 157 75.630 -0.889 17.351 1.00 0.00 H new ATOM 0 HE3 TRP A 157 77.121 1.704 12.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 78.017 0.698 17.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 79.078 2.710 14.054 1.00 0.00 H new ATOM 0 HH2 TRP A 157 79.531 2.211 16.440 1.00 0.00 H new ATOM 614 N PHE A 158 71.384 0.356 12.839 1.00 0.00 N ATOM 615 CA PHE A 158 70.202 1.092 13.375 1.00 0.00 C ATOM 616 C PHE A 158 69.000 0.149 13.499 1.00 0.00 C ATOM 617 O PHE A 158 68.090 0.388 14.267 1.00 0.00 O ATOM 618 CB PHE A 158 69.919 2.188 12.347 1.00 0.00 C ATOM 619 CG PHE A 158 68.958 3.195 12.934 1.00 0.00 C ATOM 620 CD1 PHE A 158 69.412 4.134 13.867 1.00 0.00 C ATOM 621 CD2 PHE A 158 67.615 3.191 12.543 1.00 0.00 C ATOM 622 CE1 PHE A 158 68.522 5.069 14.410 1.00 0.00 C ATOM 623 CE2 PHE A 158 66.725 4.125 13.084 1.00 0.00 C ATOM 624 CZ PHE A 158 67.178 5.064 14.019 1.00 0.00 C ATOM 0 H PHE A 158 71.535 0.450 11.835 1.00 0.00 H new ATOM 0 HA PHE A 158 70.387 1.501 14.368 1.00 0.00 H new ATOM 0 HB2 PHE A 158 70.848 2.681 12.060 1.00 0.00 H new ATOM 0 HB3 PHE A 158 69.497 1.752 11.442 1.00 0.00 H new ATOM 0 HD1 PHE A 158 70.449 4.138 14.168 1.00 0.00 H new ATOM 0 HD2 PHE A 158 67.265 2.466 11.823 1.00 0.00 H new ATOM 0 HE1 PHE A 158 68.872 5.794 15.130 1.00 0.00 H new ATOM 0 HE2 PHE A 158 65.689 4.122 12.781 1.00 0.00 H new ATOM 0 HZ PHE A 158 66.491 5.784 14.438 1.00 0.00 H new ATOM 634 N LEU A 159 68.991 -0.917 12.747 1.00 0.00 N ATOM 635 CA LEU A 159 67.846 -1.872 12.821 1.00 0.00 C ATOM 636 C LEU A 159 68.208 -3.191 12.131 1.00 0.00 C ATOM 637 O LEU A 159 69.318 -3.378 11.672 1.00 0.00 O ATOM 638 CB LEU A 159 66.687 -1.177 12.094 1.00 0.00 C ATOM 639 CG LEU A 159 67.147 -0.659 10.724 1.00 0.00 C ATOM 640 CD1 LEU A 159 67.260 -1.828 9.742 1.00 0.00 C ATOM 641 CD2 LEU A 159 66.123 0.348 10.196 1.00 0.00 C ATOM 0 H LEU A 159 69.725 -1.169 12.085 1.00 0.00 H new ATOM 0 HA LEU A 159 67.584 -2.117 13.850 1.00 0.00 H new ATOM 0 HB2 LEU A 159 65.859 -1.874 11.967 1.00 0.00 H new ATOM 0 HB3 LEU A 159 66.316 -0.348 12.697 1.00 0.00 H new ATOM 0 HG LEU A 159 68.120 -0.178 10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 159 67.587 -1.457 8.771 1.00 0.00 H new ATOM 0 HD12 LEU A 159 67.985 -2.550 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 159 66.288 -2.311 9.638 1.00 0.00 H new ATOM 0 HD21 LEU A 159 66.446 0.719 9.223 1.00 0.00 H new ATOM 0 HD22 LEU A 159 65.153 -0.138 10.096 1.00 0.00 H new ATOM 0 HD23 LEU A 159 66.040 1.182 10.893 1.00 0.00 H new ATOM 653 N LYS A 160 67.280 -4.106 12.053 1.00 0.00 N ATOM 654 CA LYS A 160 67.572 -5.411 11.393 1.00 0.00 C ATOM 655 C LYS A 160 66.961 -5.442 9.989 1.00 0.00 C ATOM 656 O LYS A 160 65.756 -5.442 9.827 1.00 0.00 O ATOM 657 CB LYS A 160 66.915 -6.463 12.287 1.00 0.00 C ATOM 658 CG LYS A 160 67.679 -6.559 13.609 1.00 0.00 C ATOM 659 CD LYS A 160 66.746 -7.089 14.700 1.00 0.00 C ATOM 660 CE LYS A 160 67.357 -8.341 15.330 1.00 0.00 C ATOM 661 NZ LYS A 160 68.404 -7.830 16.261 1.00 0.00 N1+ ATOM 0 H LYS A 160 66.333 -4.006 12.418 1.00 0.00 H new ATOM 0 HA LYS A 160 68.642 -5.585 11.278 1.00 0.00 H new ATOM 0 HB2 LYS A 160 65.875 -6.198 12.475 1.00 0.00 H new ATOM 0 HB3 LYS A 160 66.912 -7.431 11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 160 68.538 -7.220 13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 160 68.065 -5.579 13.890 1.00 0.00 H new ATOM 0 HD2 LYS A 160 66.589 -6.325 15.462 1.00 0.00 H new ATOM 0 HD3 LYS A 160 65.769 -7.322 14.276 1.00 0.00 H new ATOM 0 HE2 LYS A 160 66.605 -8.923 15.863 1.00 0.00 H new ATOM 0 HE3 LYS A 160 67.788 -8.995 14.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 69.298 -8.333 16.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 68.544 -6.812 16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 68.102 -7.988 17.244 1.00 0.00 H new ATOM 675 N HIS A 161 67.780 -5.471 8.975 1.00 0.00 N ATOM 676 CA HIS A 161 67.243 -5.504 7.584 1.00 0.00 C ATOM 677 C HIS A 161 67.935 -6.606 6.776 1.00 0.00 C ATOM 678 O HIS A 161 68.893 -7.207 7.221 1.00 0.00 O ATOM 679 CB HIS A 161 67.566 -4.129 7.000 1.00 0.00 C ATOM 680 CG HIS A 161 66.440 -3.690 6.104 1.00 0.00 C ATOM 681 ND1 HIS A 161 65.241 -3.211 6.605 1.00 0.00 N ATOM 682 CD2 HIS A 161 66.315 -3.655 4.737 1.00 0.00 C ATOM 683 CE1 HIS A 161 64.454 -2.911 5.556 1.00 0.00 C ATOM 684 NE2 HIS A 161 65.060 -3.163 4.393 1.00 0.00 N ATOM 0 H HIS A 161 68.797 -5.473 9.048 1.00 0.00 H new ATOM 0 HA HIS A 161 66.174 -5.715 7.560 1.00 0.00 H new ATOM 0 HB2 HIS A 161 67.710 -3.406 7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 161 68.498 -4.171 6.437 1.00 0.00 H new ATOM 0 HD1 HIS A 161 64.999 -3.105 7.590 1.00 0.00 H new ATOM 0 HD2 HIS A 161 67.076 -3.963 4.035 1.00 0.00 H new ATOM 0 HE1 HIS A 161 63.453 -2.514 5.644 1.00 0.00 H new ATOM 692 N GLU A 162 67.456 -6.876 5.593 1.00 0.00 N ATOM 693 CA GLU A 162 68.086 -7.939 4.759 1.00 0.00 C ATOM 694 C GLU A 162 68.533 -7.360 3.414 1.00 0.00 C ATOM 695 O GLU A 162 67.722 -6.993 2.586 1.00 0.00 O ATOM 696 CB GLU A 162 66.988 -8.984 4.555 1.00 0.00 C ATOM 697 CG GLU A 162 67.539 -10.151 3.734 1.00 0.00 C ATOM 698 CD GLU A 162 66.466 -11.235 3.607 1.00 0.00 C ATOM 699 OE1 GLU A 162 65.624 -11.313 4.486 1.00 0.00 O1- ATOM 700 OE2 GLU A 162 66.505 -11.969 2.633 1.00 0.00 O ATOM 0 H GLU A 162 66.656 -6.407 5.168 1.00 0.00 H new ATOM 0 HA GLU A 162 68.971 -8.365 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 162 66.629 -9.342 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 162 66.136 -8.536 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 162 67.840 -9.804 2.745 1.00 0.00 H new ATOM 0 HG3 GLU A 162 68.429 -10.559 4.213 1.00 0.00 H new ATOM 707 N ALA A 163 69.815 -7.271 3.192 1.00 0.00 N ATOM 708 CA ALA A 163 70.310 -6.712 1.900 1.00 0.00 C ATOM 709 C ALA A 163 71.200 -7.735 1.188 1.00 0.00 C ATOM 710 O ALA A 163 71.737 -8.638 1.797 1.00 0.00 O ATOM 711 CB ALA A 163 71.118 -5.475 2.290 1.00 0.00 C ATOM 0 H ALA A 163 70.541 -7.560 3.847 1.00 0.00 H new ATOM 0 HA ALA A 163 69.498 -6.469 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 163 71.518 -5.004 1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 163 70.473 -4.769 2.813 1.00 0.00 H new ATOM 0 HB3 ALA A 163 71.940 -5.768 2.943 1.00 0.00 H new ATOM 717 N ARG A 164 71.359 -7.599 -0.100 1.00 0.00 N ATOM 718 CA ARG A 164 72.213 -8.562 -0.854 1.00 0.00 C ATOM 719 C ARG A 164 73.430 -7.840 -1.439 1.00 0.00 C ATOM 720 O ARG A 164 73.425 -6.634 -1.585 1.00 0.00 O ATOM 721 CB ARG A 164 71.314 -9.094 -1.971 1.00 0.00 C ATOM 722 CG ARG A 164 70.023 -9.657 -1.370 1.00 0.00 C ATOM 723 CD ARG A 164 70.329 -10.960 -0.629 1.00 0.00 C ATOM 724 NE ARG A 164 69.183 -11.858 -0.949 1.00 0.00 N ATOM 725 CZ ARG A 164 69.404 -13.073 -1.371 1.00 0.00 C ATOM 726 NH1 ARG A 164 70.274 -13.286 -2.320 1.00 0.00 N ATOM 727 NH2 ARG A 164 68.754 -14.074 -0.846 1.00 0.00 N1+ ATOM 0 H ARG A 164 70.935 -6.862 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 164 72.594 -9.364 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 164 71.081 -8.295 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 164 71.835 -9.871 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 164 69.582 -8.932 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 164 69.292 -9.838 -2.158 1.00 0.00 H new ATOM 0 HD2 ARG A 164 71.274 -11.391 -0.960 1.00 0.00 H new ATOM 0 HD3 ARG A 164 70.414 -10.794 0.445 1.00 0.00 H new ATOM 0 HE ARG A 164 68.226 -11.523 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 164 70.781 -12.503 -2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 164 70.447 -14.236 -2.650 1.00 0.00 H new ATOM 0 HH21 ARG A 164 68.073 -13.907 -0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 164 68.927 -15.024 -1.176 1.00 0.00 H new ATOM 741 N PRO A 165 74.436 -8.610 -1.756 1.00 0.00 N ATOM 742 CA PRO A 165 75.679 -8.041 -2.332 1.00 0.00 C ATOM 743 C PRO A 165 75.445 -7.600 -3.780 1.00 0.00 C ATOM 744 O PRO A 165 74.706 -8.223 -4.517 1.00 0.00 O ATOM 745 CB PRO A 165 76.665 -9.203 -2.275 1.00 0.00 C ATOM 746 CG PRO A 165 75.813 -10.433 -2.276 1.00 0.00 C ATOM 747 CD PRO A 165 74.512 -10.069 -1.608 1.00 0.00 C ATOM 0 HA PRO A 165 76.033 -7.159 -1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 165 77.341 -9.190 -3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 165 77.284 -9.152 -1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 165 75.639 -10.781 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 165 76.307 -11.245 -1.742 1.00 0.00 H new ATOM 0 HD2 PRO A 165 73.666 -10.564 -2.085 1.00 0.00 H new ATOM 0 HD3 PRO A 165 74.505 -10.365 -0.559 1.00 0.00 H new ATOM 755 N LEU A 166 76.071 -6.533 -4.194 1.00 0.00 N ATOM 756 CA LEU A 166 75.886 -6.056 -5.595 1.00 0.00 C ATOM 757 C LEU A 166 76.540 -7.030 -6.580 1.00 0.00 C ATOM 758 O LEU A 166 76.240 -7.030 -7.758 1.00 0.00 O ATOM 759 CB LEU A 166 76.579 -4.693 -5.646 1.00 0.00 C ATOM 760 CG LEU A 166 75.551 -3.611 -5.986 1.00 0.00 C ATOM 761 CD1 LEU A 166 74.541 -3.491 -4.844 1.00 0.00 C ATOM 762 CD2 LEU A 166 76.265 -2.272 -6.179 1.00 0.00 C ATOM 0 H LEU A 166 76.702 -5.971 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 166 74.834 -5.988 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 166 77.048 -4.475 -4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 166 77.372 -4.704 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 166 75.030 -3.880 -6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 166 73.809 -2.721 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 166 74.032 -4.445 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 166 75.061 -3.222 -3.925 1.00 0.00 H new ATOM 0 HD21 LEU A 166 75.533 -1.501 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 166 76.786 -2.002 -5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 166 76.985 -2.358 -6.993 1.00 0.00 H new ATOM 774 N ALA A 167 77.433 -7.859 -6.109 1.00 0.00 N ATOM 775 CA ALA A 167 78.101 -8.829 -7.023 1.00 0.00 C ATOM 776 C ALA A 167 77.178 -10.019 -7.302 1.00 0.00 C ATOM 777 O ALA A 167 76.282 -10.315 -6.536 1.00 0.00 O ATOM 778 CB ALA A 167 79.351 -9.285 -6.269 1.00 0.00 C ATOM 0 H ALA A 167 77.728 -7.906 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 167 78.345 -8.386 -7.988 1.00 0.00 H new ATOM 0 HB1 ALA A 167 79.901 -10.004 -6.877 1.00 0.00 H new ATOM 0 HB2 ALA A 167 79.986 -8.423 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 167 79.058 -9.753 -5.329 1.00 0.00 H new ATOM 936 N ALA B 127 89.299 7.879 -3.398 1.00 0.00 N ATOM 937 CA ALA B 127 88.394 7.486 -2.280 1.00 0.00 C ATOM 938 C ALA B 127 87.647 6.200 -2.638 1.00 0.00 C ATOM 939 O ALA B 127 86.470 6.055 -2.370 1.00 0.00 O ATOM 940 CB ALA B 127 87.417 8.652 -2.129 1.00 0.00 C ATOM 0 HA ALA B 127 88.938 7.292 -1.355 1.00 0.00 H new ATOM 0 HB1 ALA B 127 86.716 8.437 -1.322 1.00 0.00 H new ATOM 0 HB2 ALA B 127 87.970 9.562 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA B 127 86.868 8.789 -3.060 1.00 0.00 H new ATOM 946 N VAL B 128 88.326 5.263 -3.241 1.00 0.00 N ATOM 947 CA VAL B 128 87.663 3.983 -3.619 1.00 0.00 C ATOM 948 C VAL B 128 88.547 2.797 -3.230 1.00 0.00 C ATOM 949 O VAL B 128 89.733 2.941 -3.007 1.00 0.00 O ATOM 950 CB VAL B 128 87.482 4.045 -5.133 1.00 0.00 C ATOM 951 CG1 VAL B 128 86.320 4.978 -5.468 1.00 0.00 C ATOM 952 CG2 VAL B 128 88.764 4.565 -5.785 1.00 0.00 C ATOM 0 H VAL B 128 89.313 5.329 -3.489 1.00 0.00 H new ATOM 0 HA VAL B 128 86.709 3.852 -3.108 1.00 0.00 H new ATOM 0 HB VAL B 128 87.267 3.046 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL B 128 86.190 5.023 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL B 128 85.407 4.601 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL B 128 86.533 5.976 -5.086 1.00 0.00 H new ATOM 0 HG21 VAL B 128 88.631 4.608 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL B 128 88.986 5.563 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL B 128 89.591 3.895 -5.547 1.00 0.00 H new ATOM 962 N CYS B 129 87.975 1.629 -3.139 1.00 0.00 N ATOM 963 CA CYS B 129 88.774 0.430 -2.757 1.00 0.00 C ATOM 964 C CYS B 129 90.061 0.356 -3.577 1.00 0.00 C ATOM 965 O CYS B 129 90.111 0.781 -4.713 1.00 0.00 O ATOM 966 CB CYS B 129 87.876 -0.761 -3.078 1.00 0.00 C ATOM 967 SG CYS B 129 88.622 -2.273 -2.417 1.00 0.00 S ATOM 0 H CYS B 129 86.986 1.452 -3.313 1.00 0.00 H new ATOM 0 HA CYS B 129 89.069 0.456 -1.708 1.00 0.00 H new ATOM 0 HB2 CYS B 129 86.887 -0.611 -2.646 1.00 0.00 H new ATOM 0 HB3 CYS B 129 87.742 -0.850 -4.156 1.00 0.00 H new ATOM 0 HG CYS B 129 89.627 -1.963 -1.652 1.00 0.00 H new ATOM 972 N THR B 130 91.103 -0.189 -3.012 1.00 0.00 N ATOM 973 CA THR B 130 92.382 -0.294 -3.767 1.00 0.00 C ATOM 974 C THR B 130 92.293 -1.443 -4.776 1.00 0.00 C ATOM 975 O THR B 130 92.988 -1.464 -5.772 1.00 0.00 O ATOM 976 CB THR B 130 93.460 -0.573 -2.715 1.00 0.00 C ATOM 977 OG1 THR B 130 94.702 -0.801 -3.365 1.00 0.00 O ATOM 978 CG2 THR B 130 93.081 -1.807 -1.893 1.00 0.00 C ATOM 0 H THR B 130 91.124 -0.565 -2.064 1.00 0.00 H new ATOM 0 HA THR B 130 92.606 0.612 -4.330 1.00 0.00 H new ATOM 0 HB THR B 130 93.544 0.286 -2.050 1.00 0.00 H new ATOM 0 HG1 THR B 130 95.394 -0.978 -2.695 1.00 0.00 H new ATOM 0 HG21 THR B 130 93.853 -1.999 -1.147 1.00 0.00 H new ATOM 0 HG22 THR B 130 92.128 -1.632 -1.393 1.00 0.00 H new ATOM 0 HG23 THR B 130 92.992 -2.670 -2.553 1.00 0.00 H new ATOM 986 N ARG B 131 91.430 -2.392 -4.530 1.00 0.00 N ATOM 987 CA ARG B 131 91.282 -3.533 -5.479 1.00 0.00 C ATOM 988 C ARG B 131 90.088 -3.280 -6.404 1.00 0.00 C ATOM 989 O ARG B 131 90.224 -3.236 -7.611 1.00 0.00 O ATOM 990 CB ARG B 131 91.037 -4.758 -4.600 1.00 0.00 C ATOM 991 CG ARG B 131 91.704 -5.981 -5.233 1.00 0.00 C ATOM 992 CD ARG B 131 91.840 -7.089 -4.187 1.00 0.00 C ATOM 993 NE ARG B 131 91.452 -8.338 -4.903 1.00 0.00 N ATOM 994 CZ ARG B 131 92.235 -9.382 -4.865 1.00 0.00 C ATOM 995 NH1 ARG B 131 93.224 -9.487 -5.710 1.00 0.00 N1+ ATOM 996 NH2 ARG B 131 92.028 -10.321 -3.982 1.00 0.00 N ATOM 0 H ARG B 131 90.821 -2.426 -3.713 1.00 0.00 H new ATOM 0 HA ARG B 131 92.159 -3.667 -6.113 1.00 0.00 H new ATOM 0 HB2 ARG B 131 91.438 -4.588 -3.601 1.00 0.00 H new ATOM 0 HB3 ARG B 131 89.967 -4.931 -4.489 1.00 0.00 H new ATOM 0 HG2 ARG B 131 91.112 -6.335 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG B 131 92.686 -5.712 -5.622 1.00 0.00 H new ATOM 0 HD2 ARG B 131 92.860 -7.151 -3.807 1.00 0.00 H new ATOM 0 HD3 ARG B 131 91.191 -6.906 -3.330 1.00 0.00 H new ATOM 0 HE ARG B 131 90.575 -8.377 -5.422 1.00 0.00 H new ATOM 0 HH11 ARG B 131 93.385 -8.753 -6.400 1.00 0.00 H new ATOM 0 HH12 ARG B 131 93.836 -10.303 -5.680 1.00 0.00 H new ATOM 0 HH21 ARG B 131 91.255 -10.239 -3.322 1.00 0.00 H new ATOM 0 HH22 ARG B 131 92.640 -11.137 -3.952 1.00 0.00 H new ATOM 1010 N CYS B 132 88.919 -3.100 -5.849 1.00 0.00 N ATOM 1011 CA CYS B 132 87.727 -2.835 -6.704 1.00 0.00 C ATOM 1012 C CYS B 132 87.891 -1.475 -7.385 1.00 0.00 C ATOM 1013 O CYS B 132 87.395 -1.246 -8.468 1.00 0.00 O ATOM 1014 CB CYS B 132 86.535 -2.824 -5.746 1.00 0.00 C ATOM 1015 SG CYS B 132 85.981 -4.522 -5.452 1.00 0.00 S ATOM 0 H CYS B 132 88.739 -3.125 -4.845 1.00 0.00 H new ATOM 0 HA CYS B 132 87.595 -3.581 -7.488 1.00 0.00 H new ATOM 0 HB2 CYS B 132 86.816 -2.354 -4.804 1.00 0.00 H new ATOM 0 HB3 CYS B 132 85.722 -2.233 -6.167 1.00 0.00 H new ATOM 0 HG CYS B 132 84.969 -4.513 -4.636 1.00 0.00 H new ATOM 1020 N LYS B 133 88.602 -0.581 -6.751 1.00 0.00 N ATOM 1021 CA LYS B 133 88.838 0.770 -7.340 1.00 0.00 C ATOM 1022 C LYS B 133 87.542 1.587 -7.398 1.00 0.00 C ATOM 1023 O LYS B 133 87.498 2.640 -7.998 1.00 0.00 O ATOM 1024 CB LYS B 133 89.423 0.493 -8.741 1.00 0.00 C ATOM 1025 CG LYS B 133 88.413 0.785 -9.864 1.00 0.00 C ATOM 1026 CD LYS B 133 88.608 2.217 -10.371 1.00 0.00 C ATOM 1027 CE LYS B 133 87.266 2.777 -10.847 1.00 0.00 C ATOM 1028 NZ LYS B 133 87.608 3.672 -11.988 1.00 0.00 N1+ ATOM 0 H LYS B 133 89.034 -0.731 -5.839 1.00 0.00 H new ATOM 0 HA LYS B 133 89.519 1.372 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS B 133 90.313 1.105 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS B 133 89.739 -0.549 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS B 133 88.549 0.077 -10.682 1.00 0.00 H new ATOM 0 HG3 LYS B 133 87.396 0.655 -9.495 1.00 0.00 H new ATOM 0 HD2 LYS B 133 89.014 2.843 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS B 133 89.330 2.230 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS B 133 86.593 1.978 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS B 133 86.762 3.326 -10.051 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 86.738 4.095 -12.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 88.245 4.426 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 88.080 3.120 -12.732 1.00 0.00 H new ATOM 1042 N GLU B 134 86.489 1.129 -6.769 1.00 0.00 N ATOM 1043 CA GLU B 134 85.219 1.919 -6.804 1.00 0.00 C ATOM 1044 C GLU B 134 84.128 1.248 -5.970 1.00 0.00 C ATOM 1045 O GLU B 134 84.249 0.111 -5.563 1.00 0.00 O ATOM 1046 CB GLU B 134 84.795 1.945 -8.274 1.00 0.00 C ATOM 1047 CG GLU B 134 84.634 0.513 -8.788 1.00 0.00 C ATOM 1048 CD GLU B 134 84.915 0.475 -10.291 1.00 0.00 C ATOM 1049 OE1 GLU B 134 84.498 1.395 -10.975 1.00 0.00 O1- ATOM 1050 OE2 GLU B 134 85.544 -0.473 -10.733 1.00 0.00 O ATOM 0 H GLU B 134 86.452 0.257 -6.241 1.00 0.00 H new ATOM 0 HA GLU B 134 85.368 2.917 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU B 134 83.856 2.489 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU B 134 85.540 2.474 -8.868 1.00 0.00 H new ATOM 0 HG2 GLU B 134 85.319 -0.152 -8.262 1.00 0.00 H new ATOM 0 HG3 GLU B 134 83.624 0.155 -8.587 1.00 0.00 H new ATOM 1057 N SER B 135 83.055 1.952 -5.731 1.00 0.00 N ATOM 1058 CA SER B 135 81.925 1.381 -4.940 1.00 0.00 C ATOM 1059 C SER B 135 82.353 1.136 -3.491 1.00 0.00 C ATOM 1060 O SER B 135 81.847 0.250 -2.828 1.00 0.00 O ATOM 1061 CB SER B 135 81.575 0.059 -5.630 1.00 0.00 C ATOM 1062 OG SER B 135 80.205 0.068 -5.999 1.00 0.00 O ATOM 0 H SER B 135 82.911 2.909 -6.053 1.00 0.00 H new ATOM 0 HA SER B 135 81.071 2.058 -4.904 1.00 0.00 H new ATOM 0 HB2 SER B 135 82.200 -0.080 -6.512 1.00 0.00 H new ATOM 0 HB3 SER B 135 81.777 -0.778 -4.961 1.00 0.00 H new ATOM 0 HG SER B 135 79.696 -0.498 -5.382 1.00 0.00 H new ATOM 1068 N ALA B 136 83.280 1.907 -2.991 1.00 0.00 N ATOM 1069 CA ALA B 136 83.739 1.708 -1.584 1.00 0.00 C ATOM 1070 C ALA B 136 83.262 2.861 -0.697 1.00 0.00 C ATOM 1071 O ALA B 136 82.649 3.801 -1.162 1.00 0.00 O ATOM 1072 CB ALA B 136 85.266 1.704 -1.663 1.00 0.00 C ATOM 0 H ALA B 136 83.740 2.666 -3.494 1.00 0.00 H new ATOM 0 HA ALA B 136 83.344 0.788 -1.153 1.00 0.00 H new ATOM 0 HB1 ALA B 136 85.682 1.562 -0.665 1.00 0.00 H new ATOM 0 HB2 ALA B 136 85.595 0.892 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA B 136 85.612 2.655 -2.068 1.00 0.00 H new ATOM 1078 N ASP B 137 83.548 2.804 0.577 1.00 0.00 N ATOM 1079 CA ASP B 137 83.117 3.904 1.488 1.00 0.00 C ATOM 1080 C ASP B 137 83.799 3.762 2.853 1.00 0.00 C ATOM 1081 O ASP B 137 83.217 4.050 3.880 1.00 0.00 O ATOM 1082 CB ASP B 137 81.603 3.740 1.622 1.00 0.00 C ATOM 1083 CG ASP B 137 80.915 5.062 1.272 1.00 0.00 C ATOM 1084 OD1 ASP B 137 81.431 5.769 0.423 1.00 0.00 O1- ATOM 1085 OD2 ASP B 137 79.885 5.346 1.862 1.00 0.00 O ATOM 0 H ASP B 137 84.061 2.045 1.025 1.00 0.00 H new ATOM 0 HA ASP B 137 83.386 4.887 1.102 1.00 0.00 H new ATOM 0 HB2 ASP B 137 81.252 2.948 0.960 1.00 0.00 H new ATOM 0 HB3 ASP B 137 81.347 3.442 2.639 1.00 0.00 H new ATOM 1090 N PHE B 138 85.030 3.321 2.872 1.00 0.00 N ATOM 1091 CA PHE B 138 85.744 3.163 4.173 1.00 0.00 C ATOM 1092 C PHE B 138 87.259 3.103 3.951 1.00 0.00 C ATOM 1093 O PHE B 138 87.733 2.526 2.994 1.00 0.00 O ATOM 1094 CB PHE B 138 85.242 1.835 4.741 1.00 0.00 C ATOM 1095 CG PHE B 138 83.967 2.066 5.511 1.00 0.00 C ATOM 1096 CD1 PHE B 138 83.972 2.883 6.647 1.00 0.00 C ATOM 1097 CD2 PHE B 138 82.778 1.463 5.088 1.00 0.00 C ATOM 1098 CE1 PHE B 138 82.788 3.097 7.361 1.00 0.00 C ATOM 1099 CE2 PHE B 138 81.594 1.676 5.800 1.00 0.00 C ATOM 1100 CZ PHE B 138 81.597 2.492 6.937 1.00 0.00 C ATOM 0 H PHE B 138 85.570 3.064 2.046 1.00 0.00 H new ATOM 0 HA PHE B 138 85.554 3.999 4.846 1.00 0.00 H new ATOM 0 HB2 PHE B 138 85.067 1.125 3.933 1.00 0.00 H new ATOM 0 HB3 PHE B 138 85.998 1.397 5.392 1.00 0.00 H new ATOM 0 HD1 PHE B 138 84.890 3.349 6.973 1.00 0.00 H new ATOM 0 HD2 PHE B 138 82.775 0.833 4.211 1.00 0.00 H new ATOM 0 HE1 PHE B 138 82.792 3.728 8.238 1.00 0.00 H new ATOM 0 HE2 PHE B 138 80.676 1.210 5.472 1.00 0.00 H new ATOM 0 HZ PHE B 138 80.682 2.655 7.487 1.00 0.00 H new ATOM 1110 N TRP B 139 88.020 3.689 4.835 1.00 0.00 N ATOM 1111 CA TRP B 139 89.502 3.656 4.680 1.00 0.00 C ATOM 1112 C TRP B 139 90.152 3.193 5.988 1.00 0.00 C ATOM 1113 O TRP B 139 89.859 3.699 7.053 1.00 0.00 O ATOM 1114 CB TRP B 139 89.903 5.095 4.332 1.00 0.00 C ATOM 1115 CG TRP B 139 90.539 5.764 5.510 1.00 0.00 C ATOM 1116 CD1 TRP B 139 91.815 5.571 5.922 1.00 0.00 C ATOM 1117 CD2 TRP B 139 89.959 6.740 6.423 1.00 0.00 C ATOM 1118 NE1 TRP B 139 92.050 6.358 7.034 1.00 0.00 N ATOM 1119 CE2 TRP B 139 90.937 7.098 7.381 1.00 0.00 C ATOM 1120 CE3 TRP B 139 88.690 7.341 6.515 1.00 0.00 C ATOM 1121 CZ2 TRP B 139 90.667 8.020 8.393 1.00 0.00 C ATOM 1122 CZ3 TRP B 139 88.415 8.270 7.532 1.00 0.00 C ATOM 1123 CH2 TRP B 139 89.401 8.609 8.469 1.00 0.00 C ATOM 0 H TRP B 139 87.680 4.189 5.657 1.00 0.00 H new ATOM 0 HA TRP B 139 89.828 2.960 3.907 1.00 0.00 H new ATOM 0 HB2 TRP B 139 90.596 5.092 3.491 1.00 0.00 H new ATOM 0 HB3 TRP B 139 89.024 5.658 4.018 1.00 0.00 H new ATOM 0 HD1 TRP B 139 92.532 4.910 5.457 1.00 0.00 H new ATOM 0 HE1 TRP B 139 92.937 6.388 7.537 1.00 0.00 H new ATOM 0 HE3 TRP B 139 87.923 7.086 5.799 1.00 0.00 H new ATOM 0 HZ2 TRP B 139 91.430 8.277 9.112 1.00 0.00 H new ATOM 0 HZ3 TRP B 139 87.438 8.726 7.592 1.00 0.00 H new ATOM 0 HH2 TRP B 139 89.183 9.324 9.249 1.00 0.00 H new ATOM 1134 N CYS B 140 91.024 2.225 5.915 1.00 0.00 N ATOM 1135 CA CYS B 140 91.687 1.719 7.151 1.00 0.00 C ATOM 1136 C CYS B 140 92.505 2.830 7.813 1.00 0.00 C ATOM 1137 O CYS B 140 93.213 3.569 7.160 1.00 0.00 O ATOM 1138 CB CYS B 140 92.605 0.594 6.673 1.00 0.00 C ATOM 1139 SG CYS B 140 91.896 -1.004 7.144 1.00 0.00 S ATOM 0 H CYS B 140 91.307 1.762 5.051 1.00 0.00 H new ATOM 0 HA CYS B 140 90.965 1.375 7.892 1.00 0.00 H new ATOM 0 HB2 CYS B 140 92.728 0.645 5.591 1.00 0.00 H new ATOM 0 HB3 CYS B 140 93.596 0.708 7.112 1.00 0.00 H new ATOM 0 HG CYS B 140 92.676 -1.961 6.737 1.00 0.00 H new ATOM 1144 N PHE B 141 92.413 2.950 9.109 1.00 0.00 N ATOM 1145 CA PHE B 141 93.188 4.009 9.816 1.00 0.00 C ATOM 1146 C PHE B 141 94.635 3.553 10.014 1.00 0.00 C ATOM 1147 O PHE B 141 95.566 4.317 9.852 1.00 0.00 O ATOM 1148 CB PHE B 141 92.489 4.178 11.166 1.00 0.00 C ATOM 1149 CG PHE B 141 93.492 4.644 12.195 1.00 0.00 C ATOM 1150 CD1 PHE B 141 94.132 5.880 12.040 1.00 0.00 C ATOM 1151 CD2 PHE B 141 93.782 3.840 13.304 1.00 0.00 C ATOM 1152 CE1 PHE B 141 95.062 6.312 12.993 1.00 0.00 C ATOM 1153 CE2 PHE B 141 94.713 4.272 14.258 1.00 0.00 C ATOM 1154 CZ PHE B 141 95.352 5.508 14.102 1.00 0.00 C ATOM 0 H PHE B 141 91.835 2.361 9.709 1.00 0.00 H new ATOM 0 HA PHE B 141 93.220 4.944 9.256 1.00 0.00 H new ATOM 0 HB2 PHE B 141 91.677 4.900 11.080 1.00 0.00 H new ATOM 0 HB3 PHE B 141 92.043 3.234 11.478 1.00 0.00 H new ATOM 0 HD1 PHE B 141 93.908 6.500 11.185 1.00 0.00 H new ATOM 0 HD2 PHE B 141 93.288 2.887 13.424 1.00 0.00 H new ATOM 0 HE1 PHE B 141 95.556 7.265 12.873 1.00 0.00 H new ATOM 0 HE2 PHE B 141 94.938 3.652 15.113 1.00 0.00 H new ATOM 0 HZ PHE B 141 96.069 5.841 14.838 1.00 0.00 H new ATOM 1164 N GLU B 142 94.832 2.310 10.359 1.00 0.00 N ATOM 1165 CA GLU B 142 96.219 1.803 10.562 1.00 0.00 C ATOM 1166 C GLU B 142 96.895 1.569 9.208 1.00 0.00 C ATOM 1167 O GLU B 142 97.972 2.068 8.947 1.00 0.00 O ATOM 1168 CB GLU B 142 96.053 0.481 11.315 1.00 0.00 C ATOM 1169 CG GLU B 142 96.204 0.729 12.818 1.00 0.00 C ATOM 1170 CD GLU B 142 94.869 0.460 13.515 1.00 0.00 C ATOM 1171 OE1 GLU B 142 94.238 -0.530 13.180 1.00 0.00 O ATOM 1172 OE2 GLU B 142 94.500 1.246 14.371 1.00 0.00 O1- ATOM 0 H GLU B 142 94.093 1.624 10.509 1.00 0.00 H new ATOM 0 HA GLU B 142 96.842 2.508 11.113 1.00 0.00 H new ATOM 0 HB2 GLU B 142 95.075 0.049 11.103 1.00 0.00 H new ATOM 0 HB3 GLU B 142 96.799 -0.239 10.977 1.00 0.00 H new ATOM 0 HG2 GLU B 142 96.978 0.081 13.229 1.00 0.00 H new ATOM 0 HG3 GLU B 142 96.520 1.756 12.998 1.00 0.00 H new ATOM 1179 N CYS B 143 96.270 0.818 8.344 1.00 0.00 N ATOM 1180 CA CYS B 143 96.876 0.558 7.006 1.00 0.00 C ATOM 1181 C CYS B 143 96.816 1.823 6.146 1.00 0.00 C ATOM 1182 O CYS B 143 97.555 1.974 5.193 1.00 0.00 O ATOM 1183 CB CYS B 143 96.022 -0.550 6.389 1.00 0.00 C ATOM 1184 SG CYS B 143 95.885 -1.929 7.553 1.00 0.00 S ATOM 0 H CYS B 143 95.367 0.373 8.505 1.00 0.00 H new ATOM 0 HA CYS B 143 97.925 0.270 7.077 1.00 0.00 H new ATOM 0 HB2 CYS B 143 95.031 -0.167 6.145 1.00 0.00 H new ATOM 0 HB3 CYS B 143 96.470 -0.892 5.456 1.00 0.00 H new ATOM 0 HG CYS B 143 94.709 -1.914 8.107 1.00 0.00 H new ATOM 1189 N GLU B 144 95.941 2.735 6.474 1.00 0.00 N ATOM 1190 CA GLU B 144 95.835 3.990 5.675 1.00 0.00 C ATOM 1191 C GLU B 144 95.548 3.660 4.208 1.00 0.00 C ATOM 1192 O GLU B 144 96.155 4.205 3.308 1.00 0.00 O ATOM 1193 CB GLU B 144 97.201 4.663 5.818 1.00 0.00 C ATOM 1194 CG GLU B 144 97.685 4.527 7.262 1.00 0.00 C ATOM 1195 CD GLU B 144 98.563 5.728 7.621 1.00 0.00 C ATOM 1196 OE1 GLU B 144 99.601 5.884 6.999 1.00 0.00 O1- ATOM 1197 OE2 GLU B 144 98.181 6.472 8.510 1.00 0.00 O ATOM 0 H GLU B 144 95.295 2.665 7.260 1.00 0.00 H new ATOM 0 HA GLU B 144 95.025 4.633 6.018 1.00 0.00 H new ATOM 0 HB2 GLU B 144 97.918 4.204 5.138 1.00 0.00 H new ATOM 0 HB3 GLU B 144 97.131 5.716 5.544 1.00 0.00 H new ATOM 0 HG2 GLU B 144 96.832 4.471 7.939 1.00 0.00 H new ATOM 0 HG3 GLU B 144 98.249 3.602 7.382 1.00 0.00 H new ATOM 1204 N GLN B 145 94.625 2.771 3.962 1.00 0.00 N ATOM 1205 CA GLN B 145 94.296 2.406 2.554 1.00 0.00 C ATOM 1206 C GLN B 145 92.781 2.452 2.338 1.00 0.00 C ATOM 1207 O GLN B 145 92.012 2.488 3.278 1.00 0.00 O ATOM 1208 CB GLN B 145 94.818 0.979 2.383 1.00 0.00 C ATOM 1209 CG GLN B 145 94.008 0.029 3.268 1.00 0.00 C ATOM 1210 CD GLN B 145 94.447 -1.413 3.005 1.00 0.00 C ATOM 1211 OE1 GLN B 145 93.633 -2.315 2.989 1.00 0.00 O ATOM 1212 NE2 GLN B 145 95.709 -1.670 2.795 1.00 0.00 N ATOM 0 H GLN B 145 94.084 2.281 4.675 1.00 0.00 H new ATOM 0 HA GLN B 145 94.742 3.092 1.834 1.00 0.00 H new ATOM 0 HB2 GLN B 145 94.741 0.675 1.339 1.00 0.00 H new ATOM 0 HB3 GLN B 145 95.873 0.932 2.652 1.00 0.00 H new ATOM 0 HG2 GLN B 145 94.155 0.279 4.319 1.00 0.00 H new ATOM 0 HG3 GLN B 145 92.944 0.140 3.060 1.00 0.00 H new ATOM 0 HE21 GLN B 145 96.393 -0.913 2.808 1.00 0.00 H new ATOM 0 HE22 GLN B 145 96.012 -2.628 2.617 1.00 0.00 H new ATOM 1221 N LEU B 146 92.346 2.448 1.108 1.00 0.00 N ATOM 1222 CA LEU B 146 90.881 2.487 0.838 1.00 0.00 C ATOM 1223 C LEU B 146 90.330 1.062 0.770 1.00 0.00 C ATOM 1224 O LEU B 146 91.045 0.125 0.474 1.00 0.00 O ATOM 1225 CB LEU B 146 90.743 3.188 -0.513 1.00 0.00 C ATOM 1226 CG LEU B 146 91.495 4.519 -0.473 1.00 0.00 C ATOM 1227 CD1 LEU B 146 91.214 5.305 -1.756 1.00 0.00 C ATOM 1228 CD2 LEU B 146 91.029 5.332 0.736 1.00 0.00 C ATOM 0 H LEU B 146 92.940 2.419 0.280 1.00 0.00 H new ATOM 0 HA LEU B 146 90.325 3.008 1.618 1.00 0.00 H new ATOM 0 HB2 LEU B 146 91.142 2.556 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU B 146 89.691 3.359 -0.741 1.00 0.00 H new ATOM 0 HG LEU B 146 92.565 4.328 -0.392 1.00 0.00 H new ATOM 0 HD11 LEU B 146 91.750 6.253 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU B 146 91.547 4.726 -2.618 1.00 0.00 H new ATOM 0 HD13 LEU B 146 90.144 5.496 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU B 146 91.565 6.281 0.765 1.00 0.00 H new ATOM 0 HD22 LEU B 146 89.959 5.522 0.656 1.00 0.00 H new ATOM 0 HD23 LEU B 146 91.231 4.773 1.650 1.00 0.00 H new ATOM 1240 N LEU B 147 89.067 0.886 1.046 1.00 0.00 N ATOM 1241 CA LEU B 147 88.483 -0.484 0.999 1.00 0.00 C ATOM 1242 C LEU B 147 87.006 -0.415 0.613 1.00 0.00 C ATOM 1243 O LEU B 147 86.318 0.540 0.914 1.00 0.00 O ATOM 1244 CB LEU B 147 88.641 -1.030 2.419 1.00 0.00 C ATOM 1245 CG LEU B 147 90.098 -1.435 2.656 1.00 0.00 C ATOM 1246 CD1 LEU B 147 90.256 -1.968 4.082 1.00 0.00 C ATOM 1247 CD2 LEU B 147 90.494 -2.524 1.657 1.00 0.00 C ATOM 0 H LEU B 147 88.416 1.629 1.301 1.00 0.00 H new ATOM 0 HA LEU B 147 88.975 -1.118 0.261 1.00 0.00 H new ATOM 0 HB2 LEU B 147 88.341 -0.275 3.145 1.00 0.00 H new ATOM 0 HB3 LEU B 147 87.986 -1.889 2.564 1.00 0.00 H new ATOM 0 HG LEU B 147 90.742 -0.566 2.521 1.00 0.00 H new ATOM 0 HD11 LEU B 147 91.294 -2.256 4.250 1.00 0.00 H new ATOM 0 HD12 LEU B 147 89.975 -1.192 4.794 1.00 0.00 H new ATOM 0 HD13 LEU B 147 89.612 -2.836 4.219 1.00 0.00 H new ATOM 0 HD21 LEU B 147 91.532 -2.813 1.826 1.00 0.00 H new ATOM 0 HD22 LEU B 147 89.849 -3.393 1.791 1.00 0.00 H new ATOM 0 HD23 LEU B 147 90.384 -2.144 0.641 1.00 0.00 H new ATOM 1259 N CYS B 148 86.515 -1.420 -0.055 1.00 0.00 N ATOM 1260 CA CYS B 148 85.084 -1.419 -0.469 1.00 0.00 C ATOM 1261 C CYS B 148 84.226 -2.126 0.583 1.00 0.00 C ATOM 1262 O CYS B 148 84.728 -2.837 1.428 1.00 0.00 O ATOM 1263 CB CYS B 148 85.065 -2.196 -1.780 1.00 0.00 C ATOM 1264 SG CYS B 148 84.260 -1.234 -3.069 1.00 0.00 S ATOM 0 H CYS B 148 87.045 -2.246 -0.334 1.00 0.00 H new ATOM 0 HA CYS B 148 84.682 -0.412 -0.578 1.00 0.00 H new ATOM 0 HB2 CYS B 148 86.084 -2.438 -2.081 1.00 0.00 H new ATOM 0 HB3 CYS B 148 84.540 -3.141 -1.642 1.00 0.00 H new ATOM 0 HG CYS B 148 83.006 -1.069 -2.768 1.00 0.00 H new ATOM 1269 N ALA B 149 82.935 -1.939 0.534 1.00 0.00 N ATOM 1270 CA ALA B 149 82.050 -2.606 1.529 1.00 0.00 C ATOM 1271 C ALA B 149 82.381 -4.099 1.605 1.00 0.00 C ATOM 1272 O ALA B 149 82.382 -4.692 2.665 1.00 0.00 O ATOM 1273 CB ALA B 149 80.629 -2.395 1.003 1.00 0.00 C ATOM 0 H ALA B 149 82.456 -1.354 -0.151 1.00 0.00 H new ATOM 0 HA ALA B 149 82.174 -2.200 2.533 1.00 0.00 H new ATOM 0 HB1 ALA B 149 79.916 -2.860 1.684 1.00 0.00 H new ATOM 0 HB2 ALA B 149 80.422 -1.327 0.934 1.00 0.00 H new ATOM 0 HB3 ALA B 149 80.535 -2.848 0.016 1.00 0.00 H new ATOM 1279 N LYS B 150 82.668 -4.708 0.487 1.00 0.00 N ATOM 1280 CA LYS B 150 83.007 -6.161 0.493 1.00 0.00 C ATOM 1281 C LYS B 150 84.430 -6.372 1.021 1.00 0.00 C ATOM 1282 O LYS B 150 84.802 -7.463 1.406 1.00 0.00 O ATOM 1283 CB LYS B 150 82.909 -6.594 -0.970 1.00 0.00 C ATOM 1284 CG LYS B 150 82.708 -8.110 -1.042 1.00 0.00 C ATOM 1285 CD LYS B 150 83.995 -8.774 -1.536 1.00 0.00 C ATOM 1286 CE LYS B 150 84.670 -9.507 -0.375 1.00 0.00 C ATOM 1287 NZ LYS B 150 84.654 -10.943 -0.769 1.00 0.00 N1+ ATOM 0 H LYS B 150 82.683 -4.263 -0.431 1.00 0.00 H new ATOM 0 HA LYS B 150 82.342 -6.738 1.136 1.00 0.00 H new ATOM 0 HB2 LYS B 150 82.078 -6.083 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS B 150 83.815 -6.311 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS B 150 82.440 -8.499 -0.060 1.00 0.00 H new ATOM 0 HG3 LYS B 150 81.883 -8.346 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS B 150 83.770 -9.474 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS B 150 84.670 -8.023 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS B 150 85.689 -9.151 -0.221 1.00 0.00 H new ATOM 0 HE3 LYS B 150 84.132 -9.347 0.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 150 85.101 -11.513 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 150 83.671 -11.256 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS B 150 85.179 -11.065 -1.658 1.00 0.00 H new ATOM 1301 N CYS B 151 85.229 -5.338 1.044 1.00 0.00 N ATOM 1302 CA CYS B 151 86.626 -5.487 1.547 1.00 0.00 C ATOM 1303 C CYS B 151 86.728 -4.984 2.991 1.00 0.00 C ATOM 1304 O CYS B 151 87.269 -5.648 3.852 1.00 0.00 O ATOM 1305 CB CYS B 151 87.477 -4.622 0.616 1.00 0.00 C ATOM 1306 SG CYS B 151 86.798 -4.683 -1.063 1.00 0.00 S ATOM 0 H CYS B 151 84.975 -4.399 0.737 1.00 0.00 H new ATOM 0 HA CYS B 151 86.954 -6.527 1.551 1.00 0.00 H new ATOM 0 HB2 CYS B 151 87.494 -3.593 0.975 1.00 0.00 H new ATOM 0 HB3 CYS B 151 88.508 -4.977 0.615 1.00 0.00 H new ATOM 0 HG CYS B 151 87.509 -3.928 -1.846 1.00 0.00 H new ATOM 1311 N PHE B 152 86.212 -3.814 3.261 1.00 0.00 N ATOM 1312 CA PHE B 152 86.279 -3.268 4.648 1.00 0.00 C ATOM 1313 C PHE B 152 85.604 -4.231 5.630 1.00 0.00 C ATOM 1314 O PHE B 152 86.150 -4.559 6.667 1.00 0.00 O ATOM 1315 CB PHE B 152 85.519 -1.942 4.583 1.00 0.00 C ATOM 1316 CG PHE B 152 84.804 -1.698 5.891 1.00 0.00 C ATOM 1317 CD1 PHE B 152 85.531 -1.324 7.028 1.00 0.00 C ATOM 1318 CD2 PHE B 152 83.414 -1.842 5.965 1.00 0.00 C ATOM 1319 CE1 PHE B 152 84.866 -1.095 8.239 1.00 0.00 C ATOM 1320 CE2 PHE B 152 82.749 -1.614 7.176 1.00 0.00 C ATOM 1321 CZ PHE B 152 83.476 -1.240 8.313 1.00 0.00 C ATOM 0 H PHE B 152 85.747 -3.213 2.581 1.00 0.00 H new ATOM 0 HA PHE B 152 87.304 -3.135 4.994 1.00 0.00 H new ATOM 0 HB2 PHE B 152 86.211 -1.125 4.378 1.00 0.00 H new ATOM 0 HB3 PHE B 152 84.800 -1.964 3.764 1.00 0.00 H new ATOM 0 HD1 PHE B 152 86.604 -1.212 6.971 1.00 0.00 H new ATOM 0 HD2 PHE B 152 82.854 -2.129 5.087 1.00 0.00 H new ATOM 0 HE1 PHE B 152 85.426 -0.806 9.116 1.00 0.00 H new ATOM 0 HE2 PHE B 152 81.676 -1.726 7.233 1.00 0.00 H new ATOM 0 HZ PHE B 152 82.964 -1.063 9.247 1.00 0.00 H new ATOM 1331 N GLU B 153 84.425 -4.688 5.313 1.00 0.00 N ATOM 1332 CA GLU B 153 83.721 -5.631 6.229 1.00 0.00 C ATOM 1333 C GLU B 153 84.515 -6.932 6.350 1.00 0.00 C ATOM 1334 O GLU B 153 84.617 -7.512 7.413 1.00 0.00 O ATOM 1335 CB GLU B 153 82.365 -5.889 5.572 1.00 0.00 C ATOM 1336 CG GLU B 153 81.374 -4.808 6.009 1.00 0.00 C ATOM 1337 CD GLU B 153 80.403 -5.393 7.036 1.00 0.00 C ATOM 1338 OE1 GLU B 153 80.830 -6.229 7.816 1.00 0.00 O1- ATOM 1339 OE2 GLU B 153 79.250 -4.995 7.027 1.00 0.00 O ATOM 0 H GLU B 153 83.918 -4.450 4.460 1.00 0.00 H new ATOM 0 HA GLU B 153 83.612 -5.227 7.235 1.00 0.00 H new ATOM 0 HB2 GLU B 153 82.468 -5.886 4.487 1.00 0.00 H new ATOM 0 HB3 GLU B 153 81.993 -6.874 5.854 1.00 0.00 H new ATOM 0 HG2 GLU B 153 81.909 -3.961 6.439 1.00 0.00 H new ATOM 0 HG3 GLU B 153 80.825 -4.432 5.146 1.00 0.00 H new ATOM 1346 N ALA B 154 85.080 -7.395 5.268 1.00 0.00 N ATOM 1347 CA ALA B 154 85.868 -8.659 5.321 1.00 0.00 C ATOM 1348 C ALA B 154 87.019 -8.516 6.320 1.00 0.00 C ATOM 1349 O ALA B 154 87.272 -9.395 7.120 1.00 0.00 O ATOM 1350 CB ALA B 154 86.408 -8.849 3.903 1.00 0.00 C ATOM 0 H ALA B 154 85.030 -6.953 4.350 1.00 0.00 H new ATOM 0 HA ALA B 154 85.268 -9.510 5.644 1.00 0.00 H new ATOM 0 HB1 ALA B 154 87.002 -9.762 3.859 1.00 0.00 H new ATOM 0 HB2 ALA B 154 85.575 -8.923 3.204 1.00 0.00 H new ATOM 0 HB3 ALA B 154 87.033 -7.997 3.634 1.00 0.00 H new ATOM 1356 N HIS B 155 87.715 -7.414 6.282 1.00 0.00 N ATOM 1357 CA HIS B 155 88.846 -7.212 7.234 1.00 0.00 C ATOM 1358 C HIS B 155 88.324 -7.209 8.672 1.00 0.00 C ATOM 1359 O HIS B 155 88.768 -7.972 9.511 1.00 0.00 O ATOM 1360 CB HIS B 155 89.426 -5.845 6.869 1.00 0.00 C ATOM 1361 CG HIS B 155 90.895 -5.818 7.189 1.00 0.00 C ATOM 1362 ND1 HIS B 155 91.696 -4.847 7.737 1.00 0.00 N flip ATOM 1363 CD2 HIS B 155 91.728 -6.898 6.938 1.00 0.00 C flip ATOM 1364 CE1 HIS B 155 93.004 -5.313 7.826 1.00 0.00 C flip ATOM 1365 NE2 HIS B 155 92.967 -6.553 7.331 1.00 0.00 N flip ATOM 0 H HIS B 155 87.551 -6.644 5.634 1.00 0.00 H new ATOM 0 HA HIS B 155 89.594 -8.002 7.168 1.00 0.00 H new ATOM 0 HB2 HIS B 155 89.271 -5.644 5.809 1.00 0.00 H new ATOM 0 HB3 HIS B 155 88.909 -5.060 7.421 1.00 0.00 H new ATOM 0 HD2 HIS B 155 91.435 -7.843 6.506 1.00 0.00 H new ATOM 0 HE1 HIS B 155 93.864 -4.786 8.212 1.00 0.00 H new ATOM 0 HE2 HIS B 155 93.780 -7.164 7.260 1.00 0.00 H new ATOM 1373 N GLN B 156 87.378 -6.356 8.963 1.00 0.00 N ATOM 1374 CA GLN B 156 86.820 -6.301 10.345 1.00 0.00 C ATOM 1375 C GLN B 156 86.338 -7.689 10.776 1.00 0.00 C ATOM 1376 O GLN B 156 86.217 -7.978 11.951 1.00 0.00 O ATOM 1377 CB GLN B 156 85.644 -5.328 10.256 1.00 0.00 C ATOM 1378 CG GLN B 156 85.385 -4.709 11.632 1.00 0.00 C ATOM 1379 CD GLN B 156 84.083 -3.906 11.594 1.00 0.00 C ATOM 1380 OE1 GLN B 156 83.088 -4.315 12.158 1.00 0.00 O ATOM 1381 NE2 GLN B 156 84.047 -2.774 10.947 1.00 0.00 N ATOM 0 H GLN B 156 86.968 -5.695 8.303 1.00 0.00 H new ATOM 0 HA GLN B 156 87.560 -5.981 11.078 1.00 0.00 H new ATOM 0 HB2 GLN B 156 85.861 -4.545 9.529 1.00 0.00 H new ATOM 0 HB3 GLN B 156 84.753 -5.850 9.907 1.00 0.00 H new ATOM 0 HG2 GLN B 156 85.320 -5.491 12.388 1.00 0.00 H new ATOM 0 HG3 GLN B 156 86.216 -4.062 11.914 1.00 0.00 H new ATOM 0 HE21 GLN B 156 84.883 -2.430 10.473 1.00 0.00 H new ATOM 0 HE22 GLN B 156 83.183 -2.232 10.915 1.00 0.00 H new ATOM 1390 N TRP B 157 86.063 -8.551 9.835 1.00 0.00 N ATOM 1391 CA TRP B 157 85.590 -9.920 10.193 1.00 0.00 C ATOM 1392 C TRP B 157 86.760 -10.906 10.158 1.00 0.00 C ATOM 1393 O TRP B 157 86.835 -11.823 10.951 1.00 0.00 O ATOM 1394 CB TRP B 157 84.557 -10.278 9.123 1.00 0.00 C ATOM 1395 CG TRP B 157 84.025 -11.651 9.388 1.00 0.00 C ATOM 1396 CD1 TRP B 157 83.480 -12.060 10.556 1.00 0.00 C ATOM 1397 CD2 TRP B 157 83.979 -12.798 8.491 1.00 0.00 C ATOM 1398 NE1 TRP B 157 83.103 -13.386 10.433 1.00 0.00 N ATOM 1399 CE2 TRP B 157 83.389 -13.885 9.178 1.00 0.00 C ATOM 1400 CE3 TRP B 157 84.388 -13.000 7.159 1.00 0.00 C ATOM 1401 CZ2 TRP B 157 83.211 -15.127 8.569 1.00 0.00 C ATOM 1402 CZ3 TRP B 157 84.209 -14.250 6.543 1.00 0.00 C ATOM 1403 CH2 TRP B 157 83.623 -15.311 7.247 1.00 0.00 C ATOM 0 H TRP B 157 86.145 -8.367 8.835 1.00 0.00 H new ATOM 0 HA TRP B 157 85.166 -9.961 11.196 1.00 0.00 H new ATOM 0 HB2 TRP B 157 83.743 -9.553 9.130 1.00 0.00 H new ATOM 0 HB3 TRP B 157 85.012 -10.237 8.134 1.00 0.00 H new ATOM 0 HD1 TRP B 157 83.359 -11.452 11.440 1.00 0.00 H new ATOM 0 HE1 TRP B 157 82.667 -13.928 11.179 1.00 0.00 H new ATOM 0 HE3 TRP B 157 84.842 -12.190 6.608 1.00 0.00 H new ATOM 0 HZ2 TRP B 157 82.758 -15.941 9.116 1.00 0.00 H new ATOM 0 HZ3 TRP B 157 84.525 -14.394 5.520 1.00 0.00 H new ATOM 0 HH2 TRP B 157 83.490 -16.270 6.768 1.00 0.00 H new ATOM 1414 N PHE B 158 87.672 -10.723 9.244 1.00 0.00 N ATOM 1415 CA PHE B 158 88.837 -11.649 9.160 1.00 0.00 C ATOM 1416 C PHE B 158 89.674 -11.566 10.435 1.00 0.00 C ATOM 1417 O PHE B 158 90.440 -12.457 10.745 1.00 0.00 O ATOM 1418 CB PHE B 158 89.645 -11.165 7.956 1.00 0.00 C ATOM 1419 CG PHE B 158 89.222 -11.930 6.724 1.00 0.00 C ATOM 1420 CD1 PHE B 158 89.241 -13.330 6.728 1.00 0.00 C ATOM 1421 CD2 PHE B 158 88.813 -11.239 5.578 1.00 0.00 C ATOM 1422 CE1 PHE B 158 88.850 -14.038 5.586 1.00 0.00 C ATOM 1423 CE2 PHE B 158 88.421 -11.947 4.435 1.00 0.00 C ATOM 1424 CZ PHE B 158 88.440 -13.347 4.439 1.00 0.00 C ATOM 0 H PHE B 158 87.662 -9.973 8.552 1.00 0.00 H new ATOM 0 HA PHE B 158 88.528 -12.689 9.052 1.00 0.00 H new ATOM 0 HB2 PHE B 158 89.488 -10.097 7.805 1.00 0.00 H new ATOM 0 HB3 PHE B 158 90.710 -11.308 8.138 1.00 0.00 H new ATOM 0 HD1 PHE B 158 89.557 -13.863 7.612 1.00 0.00 H new ATOM 0 HD2 PHE B 158 88.800 -10.159 5.575 1.00 0.00 H new ATOM 0 HE1 PHE B 158 88.864 -15.118 5.589 1.00 0.00 H new ATOM 0 HE2 PHE B 158 88.104 -11.413 3.551 1.00 0.00 H new ATOM 0 HZ PHE B 158 88.139 -13.894 3.558 1.00 0.00 H new ATOM 1434 N LEU B 159 89.541 -10.502 11.175 1.00 0.00 N ATOM 1435 CA LEU B 159 90.337 -10.366 12.425 1.00 0.00 C ATOM 1436 C LEU B 159 89.874 -9.132 13.209 1.00 0.00 C ATOM 1437 O LEU B 159 88.695 -8.852 13.294 1.00 0.00 O ATOM 1438 CB LEU B 159 91.773 -10.215 11.935 1.00 0.00 C ATOM 1439 CG LEU B 159 91.845 -9.020 10.993 1.00 0.00 C ATOM 1440 CD1 LEU B 159 92.842 -7.993 11.534 1.00 0.00 C ATOM 1441 CD2 LEU B 159 92.296 -9.501 9.622 1.00 0.00 C ATOM 0 H LEU B 159 88.917 -9.722 10.969 1.00 0.00 H new ATOM 0 HA LEU B 159 90.228 -11.213 13.103 1.00 0.00 H new ATOM 0 HB2 LEU B 159 92.447 -10.072 12.779 1.00 0.00 H new ATOM 0 HB3 LEU B 159 92.094 -11.121 11.421 1.00 0.00 H new ATOM 0 HG LEU B 159 90.864 -8.552 10.916 1.00 0.00 H new ATOM 0 HD11 LEU B 159 92.890 -7.140 10.857 1.00 0.00 H new ATOM 0 HD12 LEU B 159 92.519 -7.656 12.519 1.00 0.00 H new ATOM 0 HD13 LEU B 159 93.829 -8.450 11.612 1.00 0.00 H new ATOM 0 HD21 LEU B 159 92.351 -8.653 8.939 1.00 0.00 H new ATOM 0 HD22 LEU B 159 93.279 -9.965 9.704 1.00 0.00 H new ATOM 0 HD23 LEU B 159 91.582 -10.230 9.239 1.00 0.00 H new ATOM 1453 N LYS B 160 90.781 -8.388 13.782 1.00 0.00 N ATOM 1454 CA LYS B 160 90.372 -7.180 14.553 1.00 0.00 C ATOM 1455 C LYS B 160 90.998 -5.925 13.941 1.00 0.00 C ATOM 1456 O LYS B 160 92.183 -5.683 14.072 1.00 0.00 O ATOM 1457 CB LYS B 160 90.907 -7.413 15.967 1.00 0.00 C ATOM 1458 CG LYS B 160 89.942 -8.319 16.734 1.00 0.00 C ATOM 1459 CD LYS B 160 90.258 -8.250 18.229 1.00 0.00 C ATOM 1460 CE LYS B 160 91.339 -9.278 18.569 1.00 0.00 C ATOM 1461 NZ LYS B 160 91.653 -9.041 20.005 1.00 0.00 N1+ ATOM 0 H LYS B 160 91.785 -8.564 13.750 1.00 0.00 H new ATOM 0 HA LYS B 160 89.292 -7.031 14.546 1.00 0.00 H new ATOM 0 HB2 LYS B 160 91.895 -7.871 15.923 1.00 0.00 H new ATOM 0 HB3 LYS B 160 91.020 -6.461 16.486 1.00 0.00 H new ATOM 0 HG2 LYS B 160 88.913 -8.008 16.554 1.00 0.00 H new ATOM 0 HG3 LYS B 160 90.031 -9.346 16.380 1.00 0.00 H new ATOM 0 HD2 LYS B 160 90.597 -7.249 18.494 1.00 0.00 H new ATOM 0 HD3 LYS B 160 89.358 -8.447 18.811 1.00 0.00 H new ATOM 0 HE2 LYS B 160 90.983 -10.295 18.405 1.00 0.00 H new ATOM 0 HE3 LYS B 160 92.222 -9.145 17.944 1.00 0.00 H new ATOM 0 HZ1 LYS B 160 92.388 -9.709 20.314 1.00 0.00 H new ATOM 0 HZ2 LYS B 160 91.996 -8.067 20.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 160 90.795 -9.182 20.576 1.00 0.00 H new ATOM 1475 N HIS B 161 90.215 -5.126 13.271 1.00 0.00 N ATOM 1476 CA HIS B 161 90.767 -3.888 12.651 1.00 0.00 C ATOM 1477 C HIS B 161 89.787 -2.725 12.827 1.00 0.00 C ATOM 1478 O HIS B 161 88.667 -2.904 13.261 1.00 0.00 O ATOM 1479 CB HIS B 161 90.933 -4.228 11.170 1.00 0.00 C ATOM 1480 CG HIS B 161 92.135 -3.506 10.625 1.00 0.00 C ATOM 1481 ND1 HIS B 161 93.424 -3.989 10.787 1.00 0.00 N ATOM 1482 CD2 HIS B 161 92.259 -2.335 9.920 1.00 0.00 C ATOM 1483 CE1 HIS B 161 94.260 -3.120 10.192 1.00 0.00 C ATOM 1484 NE2 HIS B 161 93.602 -2.094 9.647 1.00 0.00 N ATOM 0 H HIS B 161 89.217 -5.276 13.126 1.00 0.00 H new ATOM 0 HA HIS B 161 91.708 -3.582 13.108 1.00 0.00 H new ATOM 0 HB2 HIS B 161 91.053 -5.304 11.043 1.00 0.00 H new ATOM 0 HB3 HIS B 161 90.039 -3.939 10.617 1.00 0.00 H new ATOM 0 HD1 HIS B 161 93.690 -4.847 11.270 1.00 0.00 H new ATOM 0 HD2 HIS B 161 91.439 -1.698 9.623 1.00 0.00 H new ATOM 0 HE1 HIS B 161 95.333 -3.238 10.159 1.00 0.00 H new ATOM 1492 N GLU B 162 90.202 -1.534 12.493 1.00 0.00 N ATOM 1493 CA GLU B 162 89.295 -0.361 12.641 1.00 0.00 C ATOM 1494 C GLU B 162 89.390 0.537 11.403 1.00 0.00 C ATOM 1495 O GLU B 162 90.448 1.022 11.054 1.00 0.00 O ATOM 1496 CB GLU B 162 89.797 0.376 13.883 1.00 0.00 C ATOM 1497 CG GLU B 162 91.309 0.597 13.772 1.00 0.00 C ATOM 1498 CD GLU B 162 91.825 1.248 15.057 1.00 0.00 C ATOM 1499 OE1 GLU B 162 91.845 2.466 15.114 1.00 0.00 O1- ATOM 1500 OE2 GLU B 162 92.193 0.516 15.961 1.00 0.00 O ATOM 0 H GLU B 162 91.129 -1.322 12.124 1.00 0.00 H new ATOM 0 HA GLU B 162 88.250 -0.655 12.740 1.00 0.00 H new ATOM 0 HB2 GLU B 162 89.285 1.333 13.982 1.00 0.00 H new ATOM 0 HB3 GLU B 162 89.568 -0.202 14.779 1.00 0.00 H new ATOM 0 HG2 GLU B 162 91.815 -0.354 13.605 1.00 0.00 H new ATOM 0 HG3 GLU B 162 91.533 1.232 12.915 1.00 0.00 H new ATOM 1507 N ALA B 163 88.292 0.760 10.737 1.00 0.00 N ATOM 1508 CA ALA B 163 88.323 1.626 9.523 1.00 0.00 C ATOM 1509 C ALA B 163 87.339 2.788 9.677 1.00 0.00 C ATOM 1510 O ALA B 163 86.264 2.635 10.223 1.00 0.00 O ATOM 1511 CB ALA B 163 87.898 0.713 8.371 1.00 0.00 C ATOM 0 H ALA B 163 87.376 0.382 10.979 1.00 0.00 H new ATOM 0 HA ALA B 163 89.307 2.063 9.354 1.00 0.00 H new ATOM 0 HB1 ALA B 163 87.896 1.279 7.440 1.00 0.00 H new ATOM 0 HB2 ALA B 163 88.598 -0.119 8.289 1.00 0.00 H new ATOM 0 HB3 ALA B 163 86.897 0.327 8.563 1.00 0.00 H new ATOM 1517 N ARG B 164 87.698 3.947 9.201 1.00 0.00 N ATOM 1518 CA ARG B 164 86.784 5.119 9.322 1.00 0.00 C ATOM 1519 C ARG B 164 86.010 5.320 8.015 1.00 0.00 C ATOM 1520 O ARG B 164 86.444 4.895 6.964 1.00 0.00 O ATOM 1521 CB ARG B 164 87.704 6.310 9.592 1.00 0.00 C ATOM 1522 CG ARG B 164 88.209 6.248 11.035 1.00 0.00 C ATOM 1523 CD ARG B 164 87.088 6.670 11.987 1.00 0.00 C ATOM 1524 NE ARG B 164 87.721 7.660 12.904 1.00 0.00 N ATOM 1525 CZ ARG B 164 87.265 7.809 14.118 1.00 0.00 C ATOM 1526 NH1 ARG B 164 87.402 6.847 14.989 1.00 0.00 N ATOM 1527 NH2 ARG B 164 86.675 8.921 14.462 1.00 0.00 N1+ ATOM 0 H ARG B 164 88.585 4.135 8.733 1.00 0.00 H new ATOM 0 HA ARG B 164 86.044 4.990 10.112 1.00 0.00 H new ATOM 0 HB2 ARG B 164 88.546 6.297 8.900 1.00 0.00 H new ATOM 0 HB3 ARG B 164 87.167 7.243 9.423 1.00 0.00 H new ATOM 0 HG2 ARG B 164 88.541 5.237 11.272 1.00 0.00 H new ATOM 0 HG3 ARG B 164 89.071 6.903 11.158 1.00 0.00 H new ATOM 0 HD2 ARG B 164 86.253 7.112 11.444 1.00 0.00 H new ATOM 0 HD3 ARG B 164 86.694 5.816 12.538 1.00 0.00 H new ATOM 0 HE ARG B 164 88.510 8.221 12.583 1.00 0.00 H new ATOM 0 HH11 ARG B 164 87.865 5.979 14.721 1.00 0.00 H new ATOM 0 HH12 ARG B 164 87.046 6.963 15.938 1.00 0.00 H new ATOM 0 HH21 ARG B 164 86.570 9.674 13.782 1.00 0.00 H new ATOM 0 HH22 ARG B 164 86.319 9.037 15.411 1.00 0.00 H new ATOM 1541 N PRO B 165 84.881 5.965 8.133 1.00 0.00 N ATOM 1542 CA PRO B 165 84.027 6.230 6.949 1.00 0.00 C ATOM 1543 C PRO B 165 84.659 7.304 6.059 1.00 0.00 C ATOM 1544 O PRO B 165 85.367 8.174 6.527 1.00 0.00 O ATOM 1545 CB PRO B 165 82.719 6.727 7.557 1.00 0.00 C ATOM 1546 CG PRO B 165 83.100 7.281 8.894 1.00 0.00 C ATOM 1547 CD PRO B 165 84.300 6.503 9.368 1.00 0.00 C ATOM 0 HA PRO B 165 83.892 5.354 6.314 1.00 0.00 H new ATOM 0 HB2 PRO B 165 82.257 7.490 6.930 1.00 0.00 H new ATOM 0 HB3 PRO B 165 81.997 5.917 7.657 1.00 0.00 H new ATOM 0 HG2 PRO B 165 83.334 8.343 8.819 1.00 0.00 H new ATOM 0 HG3 PRO B 165 82.275 7.186 9.600 1.00 0.00 H new ATOM 0 HD2 PRO B 165 85.007 7.142 9.897 1.00 0.00 H new ATOM 0 HD3 PRO B 165 84.014 5.707 10.055 1.00 0.00 H new ATOM 1555 N LEU B 166 84.409 7.250 4.779 1.00 0.00 N ATOM 1556 CA LEU B 166 84.995 8.268 3.860 1.00 0.00 C ATOM 1557 C LEU B 166 84.127 9.534 3.822 1.00 0.00 C ATOM 1558 O LEU B 166 84.453 10.497 3.158 1.00 0.00 O ATOM 1559 CB LEU B 166 85.014 7.597 2.487 1.00 0.00 C ATOM 1560 CG LEU B 166 86.074 6.493 2.471 1.00 0.00 C ATOM 1561 CD1 LEU B 166 86.100 5.833 1.090 1.00 0.00 C ATOM 1562 CD2 LEU B 166 87.446 7.099 2.773 1.00 0.00 C ATOM 0 H LEU B 166 83.824 6.545 4.330 1.00 0.00 H new ATOM 0 HA LEU B 166 85.988 8.580 4.182 1.00 0.00 H new ATOM 0 HB2 LEU B 166 84.033 7.177 2.262 1.00 0.00 H new ATOM 0 HB3 LEU B 166 85.230 8.334 1.714 1.00 0.00 H new ATOM 0 HG LEU B 166 85.833 5.746 3.227 1.00 0.00 H new ATOM 0 HD11 LEU B 166 86.854 5.046 1.077 1.00 0.00 H new ATOM 0 HD12 LEU B 166 85.122 5.402 0.874 1.00 0.00 H new ATOM 0 HD13 LEU B 166 86.342 6.580 0.334 1.00 0.00 H new ATOM 0 HD21 LEU B 166 88.201 6.313 2.762 1.00 0.00 H new ATOM 0 HD22 LEU B 166 87.688 7.846 2.017 1.00 0.00 H new ATOM 0 HD23 LEU B 166 87.427 7.570 3.756 1.00 0.00 H new