USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=19 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 -59:sc= -1.29! USER MOD Set 1.2: B 143 CYS SG : rot 180:sc= 0.0521 USER MOD Set 1.3: B 155 HIS : no HE2:sc= -2.01 K(o=-6.1,f=-7.5) USER MOD Set 1.4: B 161 HIS :FLIP no HD1:sc= -2.88! F(o=-7.5,f=-6.1!) USER MOD Set 2.1: B 129 CYS SG : rot -154:sc= -0.536 USER MOD Set 2.2: B 132 CYS SG : rot 157:sc= 1.16 USER MOD Set 2.3: B 148 CYS SG : rot -48:sc= 1.9 USER MOD Set 2.4: B 151 CYS SG : rot 77:sc= 1.52 USER MOD Set 3.1: A 140 CYS SG : rot 180:sc=-0.000324 USER MOD Set 3.2: A 143 CYS SG : rot 57:sc= 0.182 USER MOD Set 3.3: A 155 HIS : no HD1:sc= -1.15 K(o=-2,f=-5.4) USER MOD Set 3.4: A 161 HIS : no HE2:sc= -0.992 K(o=-2,f=-8!) USER MOD Set 4.1: A 129 CYS SG : rot -174:sc= -0.508 USER MOD Set 4.2: A 132 CYS SG : rot 60:sc= 0.773 USER MOD Set 4.3: A 148 CYS SG : rot -144:sc= 1.46 USER MOD Set 4.4: A 151 CYS SG : rot 90:sc= 1.35 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 -73:sc= 0.419 USER MOD Single : A 145 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.3!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 THR OG1 : 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 -102:sc= 1.15 USER MOD Single : B 145 GLN : amide:sc= -0.0863 X(o=-0.086,f=-0.029) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 156 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 136 N ALA A 127 74.774 0.559 -10.283 1.00 0.00 N ATOM 137 CA ALA A 127 74.763 -0.085 -8.937 1.00 0.00 C ATOM 138 C ALA A 127 75.492 0.797 -7.920 1.00 0.00 C ATOM 139 O ALA A 127 76.590 0.497 -7.496 1.00 0.00 O ATOM 140 CB ALA A 127 75.503 -1.408 -9.126 1.00 0.00 C ATOM 0 HA ALA A 127 73.751 -0.233 -8.559 1.00 0.00 H new ATOM 0 HB1 ALA A 127 75.538 -1.944 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 127 74.981 -2.014 -9.866 1.00 0.00 H new ATOM 0 HB3 ALA A 127 76.519 -1.211 -9.469 1.00 0.00 H new ATOM 146 N VAL A 128 74.886 1.883 -7.522 1.00 0.00 N ATOM 147 CA VAL A 128 75.541 2.783 -6.530 1.00 0.00 C ATOM 148 C VAL A 128 74.494 3.372 -5.584 1.00 0.00 C ATOM 149 O VAL A 128 73.315 3.379 -5.879 1.00 0.00 O ATOM 150 CB VAL A 128 76.201 3.887 -7.354 1.00 0.00 C ATOM 151 CG1 VAL A 128 77.487 3.349 -7.985 1.00 0.00 C ATOM 152 CG2 VAL A 128 75.243 4.351 -8.450 1.00 0.00 C ATOM 0 H VAL A 128 73.966 2.186 -7.841 1.00 0.00 H new ATOM 0 HA VAL A 128 76.268 2.253 -5.914 1.00 0.00 H new ATOM 0 HB VAL A 128 76.441 4.731 -6.707 1.00 0.00 H new ATOM 0 HG11 VAL A 128 77.960 4.135 -8.574 1.00 0.00 H new ATOM 0 HG12 VAL A 128 78.169 3.024 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 128 77.249 2.505 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 128 75.716 5.139 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 128 74.999 3.511 -9.100 1.00 0.00 H new ATOM 0 HG23 VAL A 128 74.330 4.735 -7.996 1.00 0.00 H new ATOM 162 N CYS A 129 74.916 3.856 -4.448 1.00 0.00 N ATOM 163 CA CYS A 129 73.948 4.440 -3.473 1.00 0.00 C ATOM 164 C CYS A 129 72.983 5.393 -4.180 1.00 0.00 C ATOM 165 O CYS A 129 73.311 6.004 -5.176 1.00 0.00 O ATOM 166 CB CYS A 129 74.808 5.203 -2.467 1.00 0.00 C ATOM 167 SG CYS A 129 73.793 5.679 -1.045 1.00 0.00 S ATOM 0 H CYS A 129 75.892 3.873 -4.151 1.00 0.00 H new ATOM 0 HA CYS A 129 73.339 3.673 -2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 129 75.642 4.582 -2.140 1.00 0.00 H new ATOM 0 HB3 CYS A 129 75.235 6.090 -2.936 1.00 0.00 H new ATOM 0 HG CYS A 129 74.489 6.434 -0.248 1.00 0.00 H new ATOM 172 N THR A 130 71.790 5.522 -3.668 1.00 0.00 N ATOM 173 CA THR A 130 70.801 6.432 -4.307 1.00 0.00 C ATOM 174 C THR A 130 71.109 7.886 -3.938 1.00 0.00 C ATOM 175 O THR A 130 70.870 8.796 -4.708 1.00 0.00 O ATOM 176 CB THR A 130 69.445 6.009 -3.738 1.00 0.00 C ATOM 177 OG1 THR A 130 68.409 6.684 -4.437 1.00 0.00 O ATOM 178 CG2 THR A 130 69.379 6.365 -2.252 1.00 0.00 C ATOM 0 H THR A 130 71.458 5.036 -2.835 1.00 0.00 H new ATOM 0 HA THR A 130 70.822 6.368 -5.395 1.00 0.00 H new ATOM 0 HB THR A 130 69.321 4.933 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 130 67.540 6.413 -4.075 1.00 0.00 H new ATOM 0 HG21 THR A 130 68.413 6.063 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 130 70.174 5.845 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 130 69.503 7.441 -2.130 1.00 0.00 H new ATOM 186 N ARG A 131 71.639 8.110 -2.767 1.00 0.00 N ATOM 187 CA ARG A 131 71.962 9.503 -2.350 1.00 0.00 C ATOM 188 C ARG A 131 73.398 9.855 -2.750 1.00 0.00 C ATOM 189 O ARG A 131 73.642 10.845 -3.411 1.00 0.00 O ATOM 190 CB ARG A 131 71.809 9.509 -0.829 1.00 0.00 C ATOM 191 CG ARG A 131 70.556 10.301 -0.450 1.00 0.00 C ATOM 192 CD ARG A 131 70.731 10.894 0.949 1.00 0.00 C ATOM 193 NE ARG A 131 69.485 11.677 1.194 1.00 0.00 N ATOM 194 CZ ARG A 131 68.554 11.729 0.280 1.00 0.00 C ATOM 195 NH1 ARG A 131 68.610 12.636 -0.657 1.00 0.00 N ATOM 196 NH2 ARG A 131 67.568 10.875 0.303 1.00 0.00 N1+ ATOM 0 H ARG A 131 71.862 7.389 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 131 71.312 10.238 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 131 71.734 8.488 -0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 131 72.689 9.955 -0.365 1.00 0.00 H new ATOM 0 HG2 ARG A 131 70.383 11.097 -1.175 1.00 0.00 H new ATOM 0 HG3 ARG A 131 69.681 9.651 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 131 70.859 10.111 1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 131 71.614 11.531 1.000 1.00 0.00 H new ATOM 0 HE ARG A 131 69.360 12.172 2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 131 69.381 13.304 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 131 67.883 12.677 -1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 131 67.524 10.166 1.035 1.00 0.00 H new ATOM 0 HH22 ARG A 131 66.841 10.916 -0.411 1.00 0.00 H new ATOM 210 N CYS A 132 74.349 9.051 -2.361 1.00 0.00 N ATOM 211 CA CYS A 132 75.765 9.345 -2.730 1.00 0.00 C ATOM 212 C CYS A 132 75.986 9.050 -4.216 1.00 0.00 C ATOM 213 O CYS A 132 76.860 9.609 -4.846 1.00 0.00 O ATOM 214 CB CYS A 132 76.607 8.408 -1.862 1.00 0.00 C ATOM 215 SG CYS A 132 76.160 8.632 -0.123 1.00 0.00 S ATOM 0 H CYS A 132 74.209 8.207 -1.806 1.00 0.00 H new ATOM 0 HA CYS A 132 76.030 10.390 -2.567 1.00 0.00 H new ATOM 0 HB2 CYS A 132 76.442 7.373 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 132 77.667 8.616 -2.006 1.00 0.00 H new ATOM 0 HG CYS A 132 74.899 8.360 0.040 1.00 0.00 H new ATOM 220 N LYS A 133 75.194 8.175 -4.775 1.00 0.00 N ATOM 221 CA LYS A 133 75.342 7.839 -6.221 1.00 0.00 C ATOM 222 C LYS A 133 76.677 7.124 -6.477 1.00 0.00 C ATOM 223 O LYS A 133 77.081 6.931 -7.606 1.00 0.00 O ATOM 224 CB LYS A 133 75.243 9.196 -6.949 1.00 0.00 C ATOM 225 CG LYS A 133 76.600 9.657 -7.508 1.00 0.00 C ATOM 226 CD LYS A 133 76.737 9.198 -8.962 1.00 0.00 C ATOM 227 CE LYS A 133 78.218 9.022 -9.305 1.00 0.00 C ATOM 228 NZ LYS A 133 78.265 8.998 -10.794 1.00 0.00 N1+ ATOM 0 H LYS A 133 74.448 7.676 -4.290 1.00 0.00 H new ATOM 0 HA LYS A 133 74.579 7.148 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 133 74.524 9.117 -7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 133 74.861 9.949 -6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 133 76.679 10.743 -7.449 1.00 0.00 H new ATOM 0 HG3 LYS A 133 77.411 9.245 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 133 76.205 8.258 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 133 76.283 9.930 -9.630 1.00 0.00 H new ATOM 0 HE2 LYS A 133 78.817 9.840 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 133 78.615 8.099 -8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 79.249 8.880 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 77.691 8.205 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 77.887 9.892 -11.168 1.00 0.00 H new ATOM 242 N GLU A 134 77.365 6.721 -5.441 1.00 0.00 N ATOM 243 CA GLU A 134 78.665 6.019 -5.642 1.00 0.00 C ATOM 244 C GLU A 134 79.225 5.530 -4.304 1.00 0.00 C ATOM 245 O GLU A 134 78.676 5.798 -3.253 1.00 0.00 O ATOM 246 CB GLU A 134 79.593 7.069 -6.251 1.00 0.00 C ATOM 247 CG GLU A 134 79.789 8.214 -5.257 1.00 0.00 C ATOM 248 CD GLU A 134 80.418 9.411 -5.974 1.00 0.00 C ATOM 249 OE1 GLU A 134 81.201 9.187 -6.882 1.00 0.00 O1- ATOM 250 OE2 GLU A 134 80.105 10.530 -5.604 1.00 0.00 O ATOM 0 H GLU A 134 77.084 6.847 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 134 78.559 5.142 -6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 134 80.555 6.620 -6.499 1.00 0.00 H new ATOM 0 HB3 GLU A 134 79.169 7.449 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 134 78.831 8.500 -4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 134 80.429 7.891 -4.436 1.00 0.00 H new ATOM 257 N SER A 135 80.318 4.819 -4.339 1.00 0.00 N ATOM 258 CA SER A 135 80.927 4.313 -3.075 1.00 0.00 C ATOM 259 C SER A 135 79.983 3.325 -2.381 1.00 0.00 C ATOM 260 O SER A 135 79.917 3.263 -1.169 1.00 0.00 O ATOM 261 CB SER A 135 81.134 5.559 -2.211 1.00 0.00 C ATOM 262 OG SER A 135 80.072 5.673 -1.276 1.00 0.00 O ATOM 0 H SER A 135 80.818 4.565 -5.191 1.00 0.00 H new ATOM 0 HA SER A 135 81.860 3.779 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 135 82.088 5.496 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 135 81.174 6.448 -2.841 1.00 0.00 H new ATOM 0 HG SER A 135 79.258 5.961 -1.739 1.00 0.00 H new ATOM 268 N ALA A 136 79.253 2.552 -3.138 1.00 0.00 N ATOM 269 CA ALA A 136 78.317 1.572 -2.512 1.00 0.00 C ATOM 270 C ALA A 136 78.471 0.194 -3.159 1.00 0.00 C ATOM 271 O ALA A 136 79.053 0.052 -4.216 1.00 0.00 O ATOM 272 CB ALA A 136 76.920 2.133 -2.778 1.00 0.00 C ATOM 0 H ALA A 136 79.263 2.555 -4.158 1.00 0.00 H new ATOM 0 HA ALA A 136 78.512 1.443 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 136 76.172 1.467 -2.347 1.00 0.00 H new ATOM 0 HB2 ALA A 136 76.832 3.120 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 136 76.759 2.213 -3.853 1.00 0.00 H new ATOM 278 N ASP A 137 77.948 -0.822 -2.530 1.00 0.00 N ATOM 279 CA ASP A 137 78.056 -2.195 -3.099 1.00 0.00 C ATOM 280 C ASP A 137 76.995 -3.106 -2.476 1.00 0.00 C ATOM 281 O ASP A 137 77.159 -4.307 -2.403 1.00 0.00 O ATOM 282 CB ASP A 137 79.460 -2.670 -2.723 1.00 0.00 C ATOM 283 CG ASP A 137 80.050 -3.483 -3.876 1.00 0.00 C ATOM 284 OD1 ASP A 137 79.671 -3.230 -5.008 1.00 0.00 O1- ATOM 285 OD2 ASP A 137 80.872 -4.344 -3.608 1.00 0.00 O ATOM 0 H ASP A 137 77.448 -0.760 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 137 77.897 -2.211 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 137 80.098 -1.814 -2.504 1.00 0.00 H new ATOM 0 HB3 ASP A 137 79.420 -3.278 -1.819 1.00 0.00 H new ATOM 290 N PHE A 138 75.909 -2.540 -2.022 1.00 0.00 N ATOM 291 CA PHE A 138 74.838 -3.371 -1.400 1.00 0.00 C ATOM 292 C PHE A 138 73.471 -2.710 -1.596 1.00 0.00 C ATOM 293 O PHE A 138 73.334 -1.505 -1.517 1.00 0.00 O ATOM 294 CB PHE A 138 75.193 -3.426 0.087 1.00 0.00 C ATOM 295 CG PHE A 138 76.128 -4.584 0.340 1.00 0.00 C ATOM 296 CD1 PHE A 138 75.613 -5.873 0.522 1.00 0.00 C ATOM 297 CD2 PHE A 138 77.510 -4.368 0.392 1.00 0.00 C ATOM 298 CE1 PHE A 138 76.480 -6.947 0.757 1.00 0.00 C ATOM 299 CE2 PHE A 138 78.377 -5.441 0.628 1.00 0.00 C ATOM 300 CZ PHE A 138 77.862 -6.732 0.810 1.00 0.00 C ATOM 0 H PHE A 138 75.717 -1.539 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 138 74.778 -4.364 -1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 138 75.663 -2.492 0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 138 74.288 -3.539 0.684 1.00 0.00 H new ATOM 0 HD1 PHE A 138 74.547 -6.039 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 138 77.907 -3.374 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 138 76.082 -7.941 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 138 79.443 -5.274 0.670 1.00 0.00 H new ATOM 0 HZ PHE A 138 78.531 -7.560 0.991 1.00 0.00 H new ATOM 310 N TRP A 139 72.458 -3.493 -1.846 1.00 0.00 N ATOM 311 CA TRP A 139 71.098 -2.914 -2.041 1.00 0.00 C ATOM 312 C TRP A 139 70.095 -3.616 -1.122 1.00 0.00 C ATOM 313 O TRP A 139 70.126 -4.819 -0.955 1.00 0.00 O ATOM 314 CB TRP A 139 70.763 -3.162 -3.515 1.00 0.00 C ATOM 315 CG TRP A 139 69.846 -4.338 -3.646 1.00 0.00 C ATOM 316 CD1 TRP A 139 68.506 -4.308 -3.445 1.00 0.00 C ATOM 317 CD2 TRP A 139 70.171 -5.709 -4.018 1.00 0.00 C ATOM 318 NE1 TRP A 139 67.994 -5.575 -3.659 1.00 0.00 N ATOM 319 CE2 TRP A 139 68.980 -6.473 -4.015 1.00 0.00 C ATOM 320 CE3 TRP A 139 71.375 -6.359 -4.350 1.00 0.00 C ATOM 321 CZ2 TRP A 139 68.981 -7.832 -4.332 1.00 0.00 C ATOM 322 CZ3 TRP A 139 71.379 -7.726 -4.670 1.00 0.00 C ATOM 323 CH2 TRP A 139 70.185 -8.461 -4.661 1.00 0.00 C ATOM 0 H TRP A 139 72.513 -4.509 -1.924 1.00 0.00 H new ATOM 0 HA TRP A 139 71.058 -1.852 -1.798 1.00 0.00 H new ATOM 0 HB2 TRP A 139 70.294 -2.276 -3.943 1.00 0.00 H new ATOM 0 HB3 TRP A 139 71.679 -3.341 -4.078 1.00 0.00 H new ATOM 0 HD1 TRP A 139 67.932 -3.437 -3.164 1.00 0.00 H new ATOM 0 HE1 TRP A 139 67.007 -5.816 -3.565 1.00 0.00 H new ATOM 0 HE3 TRP A 139 72.301 -5.803 -4.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 68.058 -8.393 -4.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 72.308 -8.215 -4.925 1.00 0.00 H new ATOM 0 HH2 TRP A 139 70.196 -9.512 -4.908 1.00 0.00 H new ATOM 334 N CYS A 140 69.207 -2.872 -0.520 1.00 0.00 N ATOM 335 CA CYS A 140 68.205 -3.498 0.392 1.00 0.00 C ATOM 336 C CYS A 140 67.074 -4.139 -0.416 1.00 0.00 C ATOM 337 O CYS A 140 66.559 -3.559 -1.352 1.00 0.00 O ATOM 338 CB CYS A 140 67.670 -2.344 1.241 1.00 0.00 C ATOM 339 SG CYS A 140 67.933 -2.713 2.994 1.00 0.00 S ATOM 0 H CYS A 140 69.131 -1.860 -0.619 1.00 0.00 H new ATOM 0 HA CYS A 140 68.642 -4.288 1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 140 68.176 -1.416 0.974 1.00 0.00 H new ATOM 0 HB3 CYS A 140 66.608 -2.196 1.045 1.00 0.00 H new ATOM 0 HG CYS A 140 67.480 -1.732 3.717 1.00 0.00 H new ATOM 344 N PHE A 141 66.681 -5.331 -0.059 1.00 0.00 N ATOM 345 CA PHE A 141 65.581 -6.011 -0.803 1.00 0.00 C ATOM 346 C PHE A 141 64.231 -5.395 -0.426 1.00 0.00 C ATOM 347 O PHE A 141 63.366 -5.216 -1.260 1.00 0.00 O ATOM 348 CB PHE A 141 65.648 -7.471 -0.356 1.00 0.00 C ATOM 349 CG PHE A 141 65.182 -8.365 -1.480 1.00 0.00 C ATOM 350 CD1 PHE A 141 65.973 -8.516 -2.624 1.00 0.00 C ATOM 351 CD2 PHE A 141 63.962 -9.043 -1.377 1.00 0.00 C ATOM 352 CE1 PHE A 141 65.543 -9.345 -3.667 1.00 0.00 C ATOM 353 CE2 PHE A 141 63.531 -9.872 -2.420 1.00 0.00 C ATOM 354 CZ PHE A 141 64.323 -10.023 -3.565 1.00 0.00 C ATOM 0 H PHE A 141 67.074 -5.865 0.716 1.00 0.00 H new ATOM 0 HA PHE A 141 65.686 -5.910 -1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 141 66.668 -7.729 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 141 65.024 -7.621 0.525 1.00 0.00 H new ATOM 0 HD1 PHE A 141 66.915 -7.993 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 141 63.353 -8.927 -0.493 1.00 0.00 H new ATOM 0 HE1 PHE A 141 66.153 -9.461 -4.551 1.00 0.00 H new ATOM 0 HE2 PHE A 141 62.589 -10.394 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 141 63.992 -10.663 -4.370 1.00 0.00 H new ATOM 364 N GLU A 142 64.045 -5.071 0.824 1.00 0.00 N ATOM 365 CA GLU A 142 62.752 -4.467 1.253 1.00 0.00 C ATOM 366 C GLU A 142 62.658 -3.019 0.765 1.00 0.00 C ATOM 367 O GLU A 142 61.672 -2.611 0.183 1.00 0.00 O ATOM 368 CB GLU A 142 62.780 -4.516 2.781 1.00 0.00 C ATOM 369 CG GLU A 142 61.463 -5.099 3.297 1.00 0.00 C ATOM 370 CD GLU A 142 60.601 -3.977 3.877 1.00 0.00 C ATOM 371 OE1 GLU A 142 60.076 -3.197 3.098 1.00 0.00 O1- ATOM 372 OE2 GLU A 142 60.479 -3.915 5.090 1.00 0.00 O ATOM 0 H GLU A 142 64.732 -5.198 1.567 1.00 0.00 H new ATOM 0 HA GLU A 142 61.892 -4.997 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 142 63.618 -5.125 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 142 62.930 -3.515 3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 142 60.932 -5.598 2.487 1.00 0.00 H new ATOM 0 HG3 GLU A 142 61.660 -5.852 4.060 1.00 0.00 H new ATOM 379 N CYS A 143 63.678 -2.239 1.000 1.00 0.00 N ATOM 380 CA CYS A 143 63.650 -0.817 0.551 1.00 0.00 C ATOM 381 C CYS A 143 63.946 -0.726 -0.949 1.00 0.00 C ATOM 382 O CYS A 143 63.648 0.262 -1.591 1.00 0.00 O ATOM 383 CB CYS A 143 64.753 -0.129 1.357 1.00 0.00 C ATOM 384 SG CYS A 143 64.552 -0.523 3.112 1.00 0.00 S ATOM 0 H CYS A 143 64.530 -2.525 1.483 1.00 0.00 H new ATOM 0 HA CYS A 143 62.676 -0.353 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 143 65.732 -0.459 1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 143 64.708 0.950 1.208 1.00 0.00 H new ATOM 0 HG CYS A 143 64.569 -1.813 3.272 1.00 0.00 H new ATOM 389 N GLU A 144 64.534 -1.746 -1.513 1.00 0.00 N ATOM 390 CA GLU A 144 64.848 -1.711 -2.970 1.00 0.00 C ATOM 391 C GLU A 144 65.679 -0.467 -3.296 1.00 0.00 C ATOM 392 O GLU A 144 65.564 0.108 -4.359 1.00 0.00 O ATOM 393 CB GLU A 144 63.489 -1.645 -3.668 1.00 0.00 C ATOM 394 CG GLU A 144 62.511 -2.594 -2.973 1.00 0.00 C ATOM 395 CD GLU A 144 61.187 -2.614 -3.741 1.00 0.00 C ATOM 396 OE1 GLU A 144 60.474 -1.626 -3.676 1.00 0.00 O1- ATOM 397 OE2 GLU A 144 60.909 -3.615 -4.379 1.00 0.00 O ATOM 0 H GLU A 144 64.810 -2.600 -1.029 1.00 0.00 H new ATOM 0 HA GLU A 144 65.427 -2.577 -3.290 1.00 0.00 H new ATOM 0 HB2 GLU A 144 63.104 -0.626 -3.641 1.00 0.00 H new ATOM 0 HB3 GLU A 144 63.594 -1.919 -4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 144 62.932 -3.598 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 144 62.343 -2.272 -1.945 1.00 0.00 H new ATOM 404 N GLN A 145 66.514 -0.047 -2.385 1.00 0.00 N ATOM 405 CA GLN A 145 67.351 1.160 -2.637 1.00 0.00 C ATOM 406 C GLN A 145 68.833 0.821 -2.463 1.00 0.00 C ATOM 407 O GLN A 145 69.188 -0.140 -1.808 1.00 0.00 O ATOM 408 CB GLN A 145 66.907 2.175 -1.582 1.00 0.00 C ATOM 409 CG GLN A 145 65.861 3.116 -2.184 1.00 0.00 C ATOM 410 CD GLN A 145 65.290 4.011 -1.082 1.00 0.00 C ATOM 411 OE1 GLN A 145 64.092 4.194 -0.994 1.00 0.00 O ATOM 412 NE2 GLN A 145 66.102 4.581 -0.235 1.00 0.00 N ATOM 0 H GLN A 145 66.653 -0.488 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 145 67.229 1.543 -3.650 1.00 0.00 H new ATOM 0 HB2 GLN A 145 66.491 1.658 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 145 67.765 2.747 -1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 145 66.312 3.726 -2.966 1.00 0.00 H new ATOM 0 HG3 GLN A 145 65.062 2.539 -2.650 1.00 0.00 H new ATOM 0 HE21 GLN A 145 67.107 4.427 -0.310 1.00 0.00 H new ATOM 0 HE22 GLN A 145 65.731 5.181 0.502 1.00 0.00 H new ATOM 421 N LEU A 146 69.702 1.604 -3.040 1.00 0.00 N ATOM 422 CA LEU A 146 71.161 1.329 -2.902 1.00 0.00 C ATOM 423 C LEU A 146 71.725 2.098 -1.703 1.00 0.00 C ATOM 424 O LEU A 146 71.266 3.174 -1.376 1.00 0.00 O ATOM 425 CB LEU A 146 71.783 1.825 -4.206 1.00 0.00 C ATOM 426 CG LEU A 146 71.219 1.014 -5.374 1.00 0.00 C ATOM 427 CD1 LEU A 146 70.271 1.892 -6.192 1.00 0.00 C ATOM 428 CD2 LEU A 146 72.367 0.532 -6.263 1.00 0.00 C ATOM 0 H LEU A 146 69.466 2.422 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 146 71.373 0.274 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 146 71.567 2.884 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 146 72.868 1.723 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 146 70.674 0.152 -4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 146 69.868 1.315 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 146 69.453 2.233 -5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 146 70.815 2.754 -6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 146 71.965 -0.046 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 146 72.914 1.392 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 146 73.041 -0.094 -5.679 1.00 0.00 H new ATOM 440 N LEU A 147 72.710 1.553 -1.042 1.00 0.00 N ATOM 441 CA LEU A 147 73.289 2.258 0.139 1.00 0.00 C ATOM 442 C LEU A 147 74.815 2.131 0.142 1.00 0.00 C ATOM 443 O LEU A 147 75.363 1.103 -0.201 1.00 0.00 O ATOM 444 CB LEU A 147 72.694 1.548 1.356 1.00 0.00 C ATOM 445 CG LEU A 147 71.173 1.715 1.354 1.00 0.00 C ATOM 446 CD1 LEU A 147 70.568 0.883 2.488 1.00 0.00 C ATOM 447 CD2 LEU A 147 70.820 3.189 1.559 1.00 0.00 C ATOM 0 H LEU A 147 73.138 0.655 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 147 73.060 3.324 0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 147 72.954 0.490 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 147 73.114 1.962 2.273 1.00 0.00 H new ATOM 0 HG LEU A 147 70.772 1.376 0.399 1.00 0.00 H new ATOM 0 HD11 LEU A 147 69.484 1.001 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 147 70.819 -0.168 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 147 70.970 1.223 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 147 69.736 3.307 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 147 71.221 3.530 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 147 71.251 3.782 0.752 1.00 0.00 H new ATOM 459 N CYS A 148 75.503 3.169 0.534 1.00 0.00 N ATOM 460 CA CYS A 148 76.992 3.107 0.565 1.00 0.00 C ATOM 461 C CYS A 148 77.468 2.623 1.937 1.00 0.00 C ATOM 462 O CYS A 148 76.691 2.479 2.860 1.00 0.00 O ATOM 463 CB CYS A 148 77.456 4.541 0.309 1.00 0.00 C ATOM 464 SG CYS A 148 76.905 5.609 1.663 1.00 0.00 S ATOM 0 H CYS A 148 75.099 4.056 0.834 1.00 0.00 H new ATOM 0 HA CYS A 148 77.394 2.414 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 148 78.542 4.573 0.226 1.00 0.00 H new ATOM 0 HB3 CYS A 148 77.053 4.901 -0.638 1.00 0.00 H new ATOM 0 HG CYS A 148 76.587 6.778 1.192 1.00 0.00 H new ATOM 469 N ALA A 149 78.740 2.364 2.078 1.00 0.00 N ATOM 470 CA ALA A 149 79.265 1.884 3.390 1.00 0.00 C ATOM 471 C ALA A 149 78.760 2.778 4.527 1.00 0.00 C ATOM 472 O ALA A 149 78.554 2.328 5.637 1.00 0.00 O ATOM 473 CB ALA A 149 80.786 1.984 3.267 1.00 0.00 C ATOM 0 H ALA A 149 79.439 2.464 1.342 1.00 0.00 H new ATOM 0 HA ALA A 149 78.938 0.869 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 149 81.249 1.648 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 149 81.126 1.356 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 149 81.068 3.019 3.075 1.00 0.00 H new ATOM 479 N LYS A 150 78.560 4.040 4.260 1.00 0.00 N ATOM 480 CA LYS A 150 78.070 4.960 5.327 1.00 0.00 C ATOM 481 C LYS A 150 76.585 4.708 5.606 1.00 0.00 C ATOM 482 O LYS A 150 76.114 4.886 6.712 1.00 0.00 O ATOM 483 CB LYS A 150 78.277 6.365 4.760 1.00 0.00 C ATOM 484 CG LYS A 150 78.409 7.366 5.908 1.00 0.00 C ATOM 485 CD LYS A 150 77.525 8.582 5.626 1.00 0.00 C ATOM 486 CE LYS A 150 78.266 9.549 4.700 1.00 0.00 C ATOM 487 NZ LYS A 150 77.353 9.736 3.537 1.00 0.00 N1+ ATOM 0 H LYS A 150 78.714 4.474 3.350 1.00 0.00 H new ATOM 0 HA LYS A 150 78.597 4.817 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 150 79.172 6.389 4.138 1.00 0.00 H new ATOM 0 HB3 LYS A 150 77.437 6.638 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 150 78.115 6.899 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 150 79.448 7.676 6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 150 76.589 8.265 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 150 77.267 9.082 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 150 78.470 10.496 5.199 1.00 0.00 H new ATOM 0 HE3 LYS A 150 79.227 9.140 4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 77.790 10.388 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 77.182 8.818 3.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 76.449 10.133 3.865 1.00 0.00 H new ATOM 501 N CYS A 151 75.847 4.297 4.613 1.00 0.00 N ATOM 502 CA CYS A 151 74.394 4.033 4.821 1.00 0.00 C ATOM 503 C CYS A 151 74.178 2.580 5.250 1.00 0.00 C ATOM 504 O CYS A 151 73.442 2.297 6.173 1.00 0.00 O ATOM 505 CB CYS A 151 73.745 4.295 3.461 1.00 0.00 C ATOM 506 SG CYS A 151 73.902 6.049 3.045 1.00 0.00 S ATOM 0 H CYS A 151 76.186 4.132 3.665 1.00 0.00 H new ATOM 0 HA CYS A 151 73.967 4.661 5.603 1.00 0.00 H new ATOM 0 HB2 CYS A 151 74.223 3.684 2.695 1.00 0.00 H new ATOM 0 HB3 CYS A 151 72.693 4.009 3.487 1.00 0.00 H new ATOM 0 HG CYS A 151 75.011 6.243 2.396 1.00 0.00 H new ATOM 511 N PHE A 152 74.818 1.657 4.585 1.00 0.00 N ATOM 512 CA PHE A 152 74.652 0.221 4.953 1.00 0.00 C ATOM 513 C PHE A 152 75.193 -0.026 6.365 1.00 0.00 C ATOM 514 O PHE A 152 74.585 -0.712 7.162 1.00 0.00 O ATOM 515 CB PHE A 152 75.474 -0.549 3.920 1.00 0.00 C ATOM 516 CG PHE A 152 75.048 -1.996 3.913 1.00 0.00 C ATOM 517 CD1 PHE A 152 73.688 -2.326 3.860 1.00 0.00 C ATOM 518 CD2 PHE A 152 76.012 -3.011 3.960 1.00 0.00 C ATOM 519 CE1 PHE A 152 73.293 -3.669 3.852 1.00 0.00 C ATOM 520 CE2 PHE A 152 75.618 -4.354 3.953 1.00 0.00 C ATOM 521 CZ PHE A 152 74.258 -4.683 3.899 1.00 0.00 C ATOM 0 H PHE A 152 75.448 1.835 3.803 1.00 0.00 H new ATOM 0 HA PHE A 152 73.607 -0.089 4.954 1.00 0.00 H new ATOM 0 HB2 PHE A 152 75.334 -0.113 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 152 76.536 -0.473 4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 152 72.944 -1.544 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 152 77.061 -2.757 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 152 72.244 -3.923 3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 152 76.362 -5.136 3.989 1.00 0.00 H new ATOM 0 HZ PHE A 152 73.953 -5.719 3.894 1.00 0.00 H new ATOM 531 N GLU A 153 76.332 0.529 6.678 1.00 0.00 N ATOM 532 CA GLU A 153 76.913 0.329 8.036 1.00 0.00 C ATOM 533 C GLU A 153 75.951 0.852 9.106 1.00 0.00 C ATOM 534 O GLU A 153 75.794 0.261 10.156 1.00 0.00 O ATOM 535 CB GLU A 153 78.205 1.146 8.029 1.00 0.00 C ATOM 536 CG GLU A 153 78.837 1.112 9.420 1.00 0.00 C ATOM 537 CD GLU A 153 79.124 2.541 9.885 1.00 0.00 C ATOM 538 OE1 GLU A 153 79.539 3.340 9.062 1.00 0.00 O1- ATOM 539 OE2 GLU A 153 78.926 2.812 11.058 1.00 0.00 O ATOM 0 H GLU A 153 76.886 1.113 6.051 1.00 0.00 H new ATOM 0 HA GLU A 153 77.093 -0.722 8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 153 78.899 0.742 7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 153 77.995 2.175 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 153 78.167 0.617 10.123 1.00 0.00 H new ATOM 0 HG3 GLU A 153 79.760 0.533 9.398 1.00 0.00 H new ATOM 546 N ALA A 154 75.309 1.958 8.849 1.00 0.00 N ATOM 547 CA ALA A 154 74.359 2.521 9.851 1.00 0.00 C ATOM 548 C ALA A 154 73.053 1.721 9.857 1.00 0.00 C ATOM 549 O ALA A 154 72.443 1.518 10.888 1.00 0.00 O ATOM 550 CB ALA A 154 74.106 3.957 9.391 1.00 0.00 C ATOM 0 H ALA A 154 75.401 2.497 7.988 1.00 0.00 H new ATOM 0 HA ALA A 154 74.758 2.480 10.865 1.00 0.00 H new ATOM 0 HB1 ALA A 154 73.414 4.443 10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 154 75.048 4.506 9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 154 73.676 3.948 8.389 1.00 0.00 H new ATOM 556 N HIS A 155 72.618 1.268 8.713 1.00 0.00 N ATOM 557 CA HIS A 155 71.350 0.485 8.652 1.00 0.00 C ATOM 558 C HIS A 155 71.478 -0.801 9.473 1.00 0.00 C ATOM 559 O HIS A 155 70.716 -1.043 10.389 1.00 0.00 O ATOM 560 CB HIS A 155 71.163 0.155 7.170 1.00 0.00 C ATOM 561 CG HIS A 155 69.697 -0.011 6.873 1.00 0.00 C ATOM 562 ND1 HIS A 155 68.738 0.855 7.373 1.00 0.00 N ATOM 563 CD2 HIS A 155 69.013 -0.937 6.126 1.00 0.00 C ATOM 564 CE1 HIS A 155 67.541 0.437 6.924 1.00 0.00 C ATOM 565 NE2 HIS A 155 67.651 -0.653 6.158 1.00 0.00 N ATOM 0 H HIS A 155 73.086 1.406 7.817 1.00 0.00 H new ATOM 0 HA HIS A 155 70.504 1.038 9.060 1.00 0.00 H new ATOM 0 HB2 HIS A 155 71.582 0.951 6.554 1.00 0.00 H new ATOM 0 HB3 HIS A 155 71.701 -0.759 6.919 1.00 0.00 H new ATOM 0 HD2 HIS A 155 69.464 -1.762 5.594 1.00 0.00 H new ATOM 0 HE1 HIS A 155 66.605 0.923 7.154 1.00 0.00 H new ATOM 0 HE2 HIS A 155 66.899 -1.166 5.697 1.00 0.00 H new ATOM 573 N GLN A 156 72.434 -1.629 9.150 1.00 0.00 N ATOM 574 CA GLN A 156 72.608 -2.902 9.909 1.00 0.00 C ATOM 575 C GLN A 156 72.916 -2.611 11.381 1.00 0.00 C ATOM 576 O GLN A 156 72.721 -3.446 12.240 1.00 0.00 O ATOM 577 CB GLN A 156 73.793 -3.600 9.244 1.00 0.00 C ATOM 578 CG GLN A 156 73.397 -5.029 8.870 1.00 0.00 C ATOM 579 CD GLN A 156 73.210 -5.128 7.355 1.00 0.00 C ATOM 580 OE1 GLN A 156 73.098 -4.125 6.678 1.00 0.00 O ATOM 581 NE2 GLN A 156 73.170 -6.303 6.791 1.00 0.00 N ATOM 0 H GLN A 156 73.102 -1.480 8.394 1.00 0.00 H new ATOM 0 HA GLN A 156 71.707 -3.516 9.891 1.00 0.00 H new ATOM 0 HB2 GLN A 156 74.099 -3.051 8.354 1.00 0.00 H new ATOM 0 HB3 GLN A 156 74.648 -3.613 9.920 1.00 0.00 H new ATOM 0 HG2 GLN A 156 74.166 -5.728 9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 156 72.475 -5.307 9.380 1.00 0.00 H new ATOM 0 HE21 GLN A 156 73.264 -7.145 7.359 1.00 0.00 H new ATOM 0 HE22 GLN A 156 73.045 -6.380 5.782 1.00 0.00 H new ATOM 590 N TRP A 157 73.398 -1.435 11.678 1.00 0.00 N ATOM 591 CA TRP A 157 73.719 -1.101 13.096 1.00 0.00 C ATOM 592 C TRP A 157 72.465 -0.608 13.824 1.00 0.00 C ATOM 593 O TRP A 157 72.207 -0.976 14.954 1.00 0.00 O ATOM 594 CB TRP A 157 74.763 0.013 13.018 1.00 0.00 C ATOM 595 CG TRP A 157 75.167 0.410 14.401 1.00 0.00 C ATOM 596 CD1 TRP A 157 74.986 1.636 14.943 1.00 0.00 C ATOM 597 CD2 TRP A 157 75.814 -0.400 15.425 1.00 0.00 C ATOM 598 NE1 TRP A 157 75.481 1.631 16.235 1.00 0.00 N ATOM 599 CE2 TRP A 157 76.002 0.399 16.578 1.00 0.00 C ATOM 600 CE3 TRP A 157 76.252 -1.736 15.465 1.00 0.00 C ATOM 601 CZ2 TRP A 157 76.602 -0.110 17.731 1.00 0.00 C ATOM 602 CZ3 TRP A 157 76.857 -2.252 16.624 1.00 0.00 C ATOM 603 CH2 TRP A 157 77.031 -1.440 17.753 1.00 0.00 C ATOM 0 H TRP A 157 73.583 -0.693 11.003 1.00 0.00 H new ATOM 0 HA TRP A 157 74.087 -1.967 13.647 1.00 0.00 H new ATOM 0 HB2 TRP A 157 75.633 -0.327 12.456 1.00 0.00 H new ATOM 0 HB3 TRP A 157 74.356 0.872 12.485 1.00 0.00 H new ATOM 0 HD1 TRP A 157 74.530 2.481 14.448 1.00 0.00 H new ATOM 0 HE1 TRP A 157 75.463 2.439 16.858 1.00 0.00 H new ATOM 0 HE3 TRP A 157 76.123 -2.369 14.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 76.734 0.519 18.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 77.189 -3.279 16.645 1.00 0.00 H new ATOM 0 HH2 TRP A 157 77.497 -1.842 18.640 1.00 0.00 H new ATOM 614 N PHE A 158 71.686 0.225 13.190 1.00 0.00 N ATOM 615 CA PHE A 158 70.453 0.742 13.850 1.00 0.00 C ATOM 616 C PHE A 158 69.325 -0.292 13.769 1.00 0.00 C ATOM 617 O PHE A 158 68.343 -0.206 14.480 1.00 0.00 O ATOM 618 CB PHE A 158 70.081 1.999 13.063 1.00 0.00 C ATOM 619 CG PHE A 158 69.674 3.092 14.023 1.00 0.00 C ATOM 620 CD1 PHE A 158 68.479 2.982 14.745 1.00 0.00 C ATOM 621 CD2 PHE A 158 70.491 4.217 14.190 1.00 0.00 C ATOM 622 CE1 PHE A 158 68.102 3.996 15.633 1.00 0.00 C ATOM 623 CE2 PHE A 158 70.114 5.231 15.078 1.00 0.00 C ATOM 624 CZ PHE A 158 68.920 5.121 15.800 1.00 0.00 C ATOM 0 H PHE A 158 71.850 0.570 12.244 1.00 0.00 H new ATOM 0 HA PHE A 158 70.613 0.951 14.908 1.00 0.00 H new ATOM 0 HB2 PHE A 158 70.927 2.327 12.459 1.00 0.00 H new ATOM 0 HB3 PHE A 158 69.264 1.782 12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 158 67.848 2.115 14.617 1.00 0.00 H new ATOM 0 HD2 PHE A 158 71.413 4.302 13.633 1.00 0.00 H new ATOM 0 HE1 PHE A 158 67.180 3.911 16.190 1.00 0.00 H new ATOM 0 HE2 PHE A 158 70.744 6.098 15.206 1.00 0.00 H new ATOM 0 HZ PHE A 158 68.629 5.903 16.486 1.00 0.00 H new ATOM 634 N LEU A 159 69.453 -1.267 12.910 1.00 0.00 N ATOM 635 CA LEU A 159 68.380 -2.297 12.792 1.00 0.00 C ATOM 636 C LEU A 159 68.836 -3.448 11.892 1.00 0.00 C ATOM 637 O LEU A 159 69.868 -3.380 11.254 1.00 0.00 O ATOM 638 CB LEU A 159 67.186 -1.565 12.168 1.00 0.00 C ATOM 639 CG LEU A 159 67.620 -0.832 10.892 1.00 0.00 C ATOM 640 CD1 LEU A 159 67.734 -1.831 9.737 1.00 0.00 C ATOM 641 CD2 LEU A 159 66.580 0.232 10.539 1.00 0.00 C ATOM 0 H LEU A 159 70.250 -1.395 12.287 1.00 0.00 H new ATOM 0 HA LEU A 159 68.129 -2.735 13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 159 66.395 -2.278 11.935 1.00 0.00 H new ATOM 0 HB3 LEU A 159 66.773 -0.853 12.882 1.00 0.00 H new ATOM 0 HG LEU A 159 68.588 -0.359 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 159 68.042 -1.307 8.832 1.00 0.00 H new ATOM 0 HD12 LEU A 159 68.474 -2.592 9.986 1.00 0.00 H new ATOM 0 HD13 LEU A 159 66.767 -2.306 9.570 1.00 0.00 H new ATOM 0 HD21 LEU A 159 66.887 0.754 9.633 1.00 0.00 H new ATOM 0 HD22 LEU A 159 65.614 -0.244 10.374 1.00 0.00 H new ATOM 0 HD23 LEU A 159 66.497 0.946 11.358 1.00 0.00 H new ATOM 653 N LYS A 160 68.073 -4.505 11.838 1.00 0.00 N ATOM 654 CA LYS A 160 68.457 -5.662 10.980 1.00 0.00 C ATOM 655 C LYS A 160 67.617 -5.673 9.700 1.00 0.00 C ATOM 656 O LYS A 160 66.426 -5.910 9.729 1.00 0.00 O ATOM 657 CB LYS A 160 68.152 -6.898 11.826 1.00 0.00 C ATOM 658 CG LYS A 160 69.176 -7.009 12.957 1.00 0.00 C ATOM 659 CD LYS A 160 68.816 -8.194 13.856 1.00 0.00 C ATOM 660 CE LYS A 160 69.775 -8.242 15.046 1.00 0.00 C ATOM 661 NZ LYS A 160 69.624 -9.616 15.602 1.00 0.00 N1+ ATOM 0 H LYS A 160 67.199 -4.618 12.352 1.00 0.00 H new ATOM 0 HA LYS A 160 69.503 -5.621 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 160 67.145 -6.830 12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 160 68.182 -7.793 11.205 1.00 0.00 H new ATOM 0 HG2 LYS A 160 70.176 -7.142 12.545 1.00 0.00 H new ATOM 0 HG3 LYS A 160 69.191 -6.088 13.540 1.00 0.00 H new ATOM 0 HD2 LYS A 160 67.789 -8.099 14.207 1.00 0.00 H new ATOM 0 HD3 LYS A 160 68.875 -9.124 13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 160 70.802 -8.052 14.734 1.00 0.00 H new ATOM 0 HE3 LYS A 160 69.522 -7.485 15.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 70.251 -9.729 16.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 68.638 -9.765 15.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 69.878 -10.315 14.875 1.00 0.00 H new ATOM 675 N HIS A 161 68.228 -5.416 8.576 1.00 0.00 N ATOM 676 CA HIS A 161 67.461 -5.414 7.296 1.00 0.00 C ATOM 677 C HIS A 161 68.073 -6.413 6.312 1.00 0.00 C ATOM 678 O HIS A 161 69.255 -6.692 6.350 1.00 0.00 O ATOM 679 CB HIS A 161 67.586 -3.987 6.761 1.00 0.00 C ATOM 680 CG HIS A 161 66.246 -3.521 6.261 1.00 0.00 C ATOM 681 ND1 HIS A 161 65.524 -2.525 6.900 1.00 0.00 N ATOM 682 CD2 HIS A 161 65.484 -3.905 5.186 1.00 0.00 C ATOM 683 CE1 HIS A 161 64.384 -2.344 6.210 1.00 0.00 C ATOM 684 NE2 HIS A 161 64.308 -3.160 5.155 1.00 0.00 N ATOM 0 H HIS A 161 69.223 -5.208 8.488 1.00 0.00 H new ATOM 0 HA HIS A 161 66.420 -5.706 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 161 67.944 -3.322 7.547 1.00 0.00 H new ATOM 0 HB3 HIS A 161 68.319 -3.952 5.955 1.00 0.00 H new ATOM 0 HD1 HIS A 161 65.806 -2.021 7.741 1.00 0.00 H new ATOM 0 HD2 HIS A 161 65.755 -4.669 4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 161 63.622 -1.626 6.476 1.00 0.00 H new ATOM 692 N GLU A 162 67.278 -6.952 5.428 1.00 0.00 N ATOM 693 CA GLU A 162 67.816 -7.932 4.442 1.00 0.00 C ATOM 694 C GLU A 162 68.454 -7.193 3.262 1.00 0.00 C ATOM 695 O GLU A 162 67.825 -6.383 2.613 1.00 0.00 O ATOM 696 CB GLU A 162 66.603 -8.738 3.980 1.00 0.00 C ATOM 697 CG GLU A 162 67.015 -10.193 3.748 1.00 0.00 C ATOM 698 CD GLU A 162 66.816 -10.992 5.039 1.00 0.00 C ATOM 699 OE1 GLU A 162 65.709 -11.457 5.260 1.00 0.00 O ATOM 700 OE2 GLU A 162 67.773 -11.124 5.784 1.00 0.00 O1- ATOM 0 H GLU A 162 66.280 -6.756 5.346 1.00 0.00 H new ATOM 0 HA GLU A 162 68.587 -8.572 4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 162 65.813 -8.688 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 162 66.199 -8.313 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 162 66.420 -10.627 2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 162 68.058 -10.241 3.435 1.00 0.00 H new ATOM 707 N ALA A 163 69.698 -7.468 2.980 1.00 0.00 N ATOM 708 CA ALA A 163 70.374 -6.778 1.844 1.00 0.00 C ATOM 709 C ALA A 163 71.423 -7.697 1.213 1.00 0.00 C ATOM 710 O ALA A 163 72.122 -8.420 1.896 1.00 0.00 O ATOM 711 CB ALA A 163 71.039 -5.551 2.464 1.00 0.00 C ATOM 0 H ALA A 163 70.275 -8.140 3.486 1.00 0.00 H new ATOM 0 HA ALA A 163 69.675 -6.506 1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 163 71.559 -4.989 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 163 70.279 -4.918 2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 163 71.754 -5.869 3.223 1.00 0.00 H new ATOM 717 N ARG A 164 71.540 -7.671 -0.085 1.00 0.00 N ATOM 718 CA ARG A 164 72.543 -8.541 -0.763 1.00 0.00 C ATOM 719 C ARG A 164 73.646 -7.682 -1.392 1.00 0.00 C ATOM 720 O ARG A 164 73.472 -6.495 -1.588 1.00 0.00 O ATOM 721 CB ARG A 164 71.755 -9.277 -1.846 1.00 0.00 C ATOM 722 CG ARG A 164 70.829 -10.306 -1.193 1.00 0.00 C ATOM 723 CD ARG A 164 71.620 -11.573 -0.871 1.00 0.00 C ATOM 724 NE ARG A 164 71.094 -12.599 -1.815 1.00 0.00 N ATOM 725 CZ ARG A 164 70.213 -13.471 -1.407 1.00 0.00 C ATOM 726 NH1 ARG A 164 70.585 -14.474 -0.660 1.00 0.00 N ATOM 727 NH2 ARG A 164 68.959 -13.337 -1.743 1.00 0.00 N1+ ATOM 0 H ARG A 164 70.984 -7.084 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 164 73.030 -9.229 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 164 71.171 -8.567 -2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 164 72.439 -9.773 -2.535 1.00 0.00 H new ATOM 0 HG2 ARG A 164 70.395 -9.894 -0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 164 70.001 -10.542 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 164 72.690 -11.418 -1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 164 71.475 -11.877 0.166 1.00 0.00 H new ATOM 0 HE ARG A 164 71.423 -12.620 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 164 71.565 -14.577 -0.395 1.00 0.00 H new ATOM 0 HH12 ARG A 164 69.896 -15.155 -0.341 1.00 0.00 H new ATOM 0 HH21 ARG A 164 68.668 -12.551 -2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 164 68.270 -14.018 -1.424 1.00 0.00 H new ATOM 741 N PRO A 165 74.747 -8.316 -1.688 1.00 0.00 N ATOM 742 CA PRO A 165 75.894 -7.603 -2.303 1.00 0.00 C ATOM 743 C PRO A 165 75.589 -7.260 -3.765 1.00 0.00 C ATOM 744 O PRO A 165 74.992 -8.037 -4.484 1.00 0.00 O ATOM 745 CB PRO A 165 77.034 -8.611 -2.208 1.00 0.00 C ATOM 746 CG PRO A 165 76.363 -9.948 -2.146 1.00 0.00 C ATOM 747 CD PRO A 165 75.028 -9.741 -1.480 1.00 0.00 C ATOM 0 HA PRO A 165 76.125 -6.658 -1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 165 77.696 -8.541 -3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 165 77.645 -8.434 -1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 165 76.235 -10.362 -3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 165 76.969 -10.658 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 165 74.257 -10.369 -1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 165 75.068 -9.990 -0.420 1.00 0.00 H new ATOM 755 N LEU A 166 75.996 -6.103 -4.208 1.00 0.00 N ATOM 756 CA LEU A 166 75.730 -5.707 -5.621 1.00 0.00 C ATOM 757 C LEU A 166 76.452 -6.653 -6.585 1.00 0.00 C ATOM 758 O LEU A 166 76.105 -6.753 -7.746 1.00 0.00 O ATOM 759 CB LEU A 166 76.286 -4.289 -5.746 1.00 0.00 C ATOM 760 CG LEU A 166 75.131 -3.297 -5.890 1.00 0.00 C ATOM 761 CD1 LEU A 166 74.090 -3.565 -4.800 1.00 0.00 C ATOM 762 CD2 LEU A 166 75.662 -1.870 -5.746 1.00 0.00 C ATOM 0 H LEU A 166 76.502 -5.413 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 166 74.669 -5.754 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 166 76.883 -4.043 -4.868 1.00 0.00 H new ATOM 0 HB3 LEU A 166 76.947 -4.221 -6.610 1.00 0.00 H new ATOM 0 HG LEU A 166 74.671 -3.416 -6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 166 73.266 -2.858 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 166 73.710 -4.582 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 166 74.551 -3.446 -3.819 1.00 0.00 H new ATOM 0 HD21 LEU A 166 74.839 -1.163 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 166 76.123 -1.750 -4.765 1.00 0.00 H new ATOM 0 HD23 LEU A 166 76.404 -1.678 -6.521 1.00 0.00 H new ATOM 774 N ALA A 167 77.454 -7.345 -6.118 1.00 0.00 N ATOM 775 CA ALA A 167 78.195 -8.281 -7.012 1.00 0.00 C ATOM 776 C ALA A 167 77.264 -9.389 -7.510 1.00 0.00 C ATOM 777 O ALA A 167 76.396 -9.852 -6.795 1.00 0.00 O ATOM 778 CB ALA A 167 79.306 -8.868 -6.141 1.00 0.00 C ATOM 0 H ALA A 167 77.792 -7.304 -5.157 1.00 0.00 H new ATOM 0 HA ALA A 167 78.591 -7.779 -7.895 1.00 0.00 H new ATOM 0 HB1 ALA A 167 79.898 -9.569 -6.730 1.00 0.00 H new ATOM 0 HB2 ALA A 167 79.948 -8.065 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 167 78.865 -9.389 -5.291 1.00 0.00 H new ATOM 936 N ALA B 127 89.800 8.304 -3.420 1.00 0.00 N ATOM 937 CA ALA B 127 88.829 7.960 -2.343 1.00 0.00 C ATOM 938 C ALA B 127 88.011 6.731 -2.744 1.00 0.00 C ATOM 939 O ALA B 127 86.814 6.677 -2.546 1.00 0.00 O ATOM 940 CB ALA B 127 87.927 9.188 -2.212 1.00 0.00 C ATOM 0 HA ALA B 127 89.324 7.719 -1.402 1.00 0.00 H new ATOM 0 HB1 ALA B 127 87.183 9.012 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA B 127 88.530 10.056 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA B 127 87.424 9.373 -3.161 1.00 0.00 H new ATOM 946 N VAL B 128 88.651 5.744 -3.309 1.00 0.00 N ATOM 947 CA VAL B 128 87.914 4.516 -3.725 1.00 0.00 C ATOM 948 C VAL B 128 88.790 3.278 -3.522 1.00 0.00 C ATOM 949 O VAL B 128 89.995 3.367 -3.404 1.00 0.00 O ATOM 950 CB VAL B 128 87.600 4.714 -5.205 1.00 0.00 C ATOM 951 CG1 VAL B 128 86.429 5.688 -5.351 1.00 0.00 C ATOM 952 CG2 VAL B 128 88.830 5.276 -5.919 1.00 0.00 C ATOM 0 H VAL B 128 89.653 5.734 -3.501 1.00 0.00 H new ATOM 0 HA VAL B 128 87.008 4.364 -3.138 1.00 0.00 H new ATOM 0 HB VAL B 128 87.332 3.756 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL B 128 86.204 5.830 -6.408 1.00 0.00 H new ATOM 0 HG12 VAL B 128 85.553 5.282 -4.845 1.00 0.00 H new ATOM 0 HG13 VAL B 128 86.695 6.646 -4.905 1.00 0.00 H new ATOM 0 HG21 VAL B 128 88.604 5.417 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL B 128 89.102 6.234 -5.475 1.00 0.00 H new ATOM 0 HG23 VAL B 128 89.661 4.579 -5.815 1.00 0.00 H new ATOM 962 N CYS B 129 88.187 2.123 -3.472 1.00 0.00 N ATOM 963 CA CYS B 129 88.975 0.873 -3.268 1.00 0.00 C ATOM 964 C CYS B 129 90.169 0.822 -4.219 1.00 0.00 C ATOM 965 O CYS B 129 90.193 1.480 -5.241 1.00 0.00 O ATOM 966 CB CYS B 129 88.002 -0.263 -3.583 1.00 0.00 C ATOM 967 SG CYS B 129 88.664 -1.820 -2.940 1.00 0.00 S ATOM 0 H CYS B 129 87.180 1.989 -3.564 1.00 0.00 H new ATOM 0 HA CYS B 129 89.376 0.809 -2.257 1.00 0.00 H new ATOM 0 HB2 CYS B 129 87.029 -0.057 -3.137 1.00 0.00 H new ATOM 0 HB3 CYS B 129 87.849 -0.337 -4.660 1.00 0.00 H new ATOM 0 HG CYS B 129 88.195 -2.812 -3.637 1.00 0.00 H new ATOM 972 N THR B 130 91.160 0.036 -3.895 1.00 0.00 N ATOM 973 CA THR B 130 92.349 -0.068 -4.785 1.00 0.00 C ATOM 974 C THR B 130 92.160 -1.230 -5.762 1.00 0.00 C ATOM 975 O THR B 130 92.723 -1.250 -6.838 1.00 0.00 O ATOM 976 CB THR B 130 93.534 -0.325 -3.851 1.00 0.00 C ATOM 977 OG1 THR B 130 94.721 -0.452 -4.622 1.00 0.00 O ATOM 978 CG2 THR B 130 93.300 -1.613 -3.058 1.00 0.00 C ATOM 0 H THR B 130 91.197 -0.538 -3.053 1.00 0.00 H new ATOM 0 HA THR B 130 92.504 0.831 -5.382 1.00 0.00 H new ATOM 0 HB THR B 130 93.634 0.509 -3.157 1.00 0.00 H new ATOM 0 HG1 THR B 130 95.482 -0.615 -4.026 1.00 0.00 H new ATOM 0 HG21 THR B 130 94.147 -1.791 -2.395 1.00 0.00 H new ATOM 0 HG22 THR B 130 92.390 -1.516 -2.466 1.00 0.00 H new ATOM 0 HG23 THR B 130 93.197 -2.451 -3.747 1.00 0.00 H new ATOM 986 N ARG B 131 91.360 -2.195 -5.395 1.00 0.00 N ATOM 987 CA ARG B 131 91.118 -3.354 -6.302 1.00 0.00 C ATOM 988 C ARG B 131 89.905 -3.065 -7.187 1.00 0.00 C ATOM 989 O ARG B 131 89.868 -3.423 -8.347 1.00 0.00 O ATOM 990 CB ARG B 131 90.836 -4.535 -5.369 1.00 0.00 C ATOM 991 CG ARG B 131 91.757 -5.704 -5.728 1.00 0.00 C ATOM 992 CD ARG B 131 91.123 -7.013 -5.251 1.00 0.00 C ATOM 993 NE ARG B 131 92.276 -7.896 -4.914 1.00 0.00 N ATOM 994 CZ ARG B 131 92.532 -8.188 -3.667 1.00 0.00 C ATOM 995 NH1 ARG B 131 91.665 -8.864 -2.964 1.00 0.00 N1+ ATOM 996 NH2 ARG B 131 93.655 -7.804 -3.125 1.00 0.00 N ATOM 0 H ARG B 131 90.863 -2.231 -4.505 1.00 0.00 H new ATOM 0 HA ARG B 131 91.961 -3.556 -6.963 1.00 0.00 H new ATOM 0 HB2 ARG B 131 90.995 -4.239 -4.332 1.00 0.00 H new ATOM 0 HB3 ARG B 131 89.793 -4.840 -5.457 1.00 0.00 H new ATOM 0 HG2 ARG B 131 91.919 -5.737 -6.805 1.00 0.00 H new ATOM 0 HG3 ARG B 131 92.733 -5.569 -5.263 1.00 0.00 H new ATOM 0 HD2 ARG B 131 90.484 -6.849 -4.383 1.00 0.00 H new ATOM 0 HD3 ARG B 131 90.499 -7.456 -6.027 1.00 0.00 H new ATOM 0 HE ARG B 131 92.865 -8.272 -5.657 1.00 0.00 H new ATOM 0 HH11 ARG B 131 90.787 -9.164 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG B 131 91.865 -9.092 -1.990 1.00 0.00 H new ATOM 0 HH21 ARG B 131 94.332 -7.276 -3.675 1.00 0.00 H new ATOM 0 HH22 ARG B 131 93.855 -8.032 -2.151 1.00 0.00 H new ATOM 1010 N CYS B 132 88.913 -2.411 -6.645 1.00 0.00 N ATOM 1011 CA CYS B 132 87.700 -2.082 -7.448 1.00 0.00 C ATOM 1012 C CYS B 132 87.807 -0.654 -7.989 1.00 0.00 C ATOM 1013 O CYS B 132 87.196 -0.308 -8.979 1.00 0.00 O ATOM 1014 CB CYS B 132 86.531 -2.199 -6.468 1.00 0.00 C ATOM 1015 SG CYS B 132 86.721 -3.701 -5.476 1.00 0.00 S ATOM 0 H CYS B 132 88.891 -2.089 -5.677 1.00 0.00 H new ATOM 0 HA CYS B 132 87.576 -2.743 -8.306 1.00 0.00 H new ATOM 0 HB2 CYS B 132 86.498 -1.324 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS B 132 85.587 -2.228 -7.013 1.00 0.00 H new ATOM 0 HG CYS B 132 86.068 -3.569 -4.360 1.00 0.00 H new ATOM 1020 N LYS B 133 88.584 0.174 -7.340 1.00 0.00 N ATOM 1021 CA LYS B 133 88.750 1.585 -7.802 1.00 0.00 C ATOM 1022 C LYS B 133 87.448 2.377 -7.618 1.00 0.00 C ATOM 1023 O LYS B 133 87.316 3.487 -8.091 1.00 0.00 O ATOM 1024 CB LYS B 133 89.172 1.470 -9.283 1.00 0.00 C ATOM 1025 CG LYS B 133 88.044 1.883 -10.245 1.00 0.00 C ATOM 1026 CD LYS B 133 88.183 3.368 -10.592 1.00 0.00 C ATOM 1027 CE LYS B 133 86.800 3.967 -10.848 1.00 0.00 C ATOM 1028 NZ LYS B 133 87.013 4.969 -11.931 1.00 0.00 N1+ ATOM 0 H LYS B 133 89.115 -0.069 -6.503 1.00 0.00 H new ATOM 0 HA LYS B 133 89.496 2.132 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS B 133 90.045 2.098 -9.460 1.00 0.00 H new ATOM 0 HB3 LYS B 133 89.470 0.443 -9.495 1.00 0.00 H new ATOM 0 HG2 LYS B 133 88.088 1.281 -11.153 1.00 0.00 H new ATOM 0 HG3 LYS B 133 87.074 1.696 -9.785 1.00 0.00 H new ATOM 0 HD2 LYS B 133 88.674 3.898 -9.776 1.00 0.00 H new ATOM 0 HD3 LYS B 133 88.811 3.488 -11.474 1.00 0.00 H new ATOM 0 HE2 LYS B 133 86.087 3.201 -11.153 1.00 0.00 H new ATOM 0 HE3 LYS B 133 86.399 4.435 -9.949 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 86.108 5.425 -12.165 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 87.691 5.689 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 87.389 4.493 -12.776 1.00 0.00 H new ATOM 1042 N GLU B 134 86.490 1.827 -6.921 1.00 0.00 N ATOM 1043 CA GLU B 134 85.214 2.569 -6.709 1.00 0.00 C ATOM 1044 C GLU B 134 84.301 1.806 -5.745 1.00 0.00 C ATOM 1045 O GLU B 134 84.651 0.761 -5.233 1.00 0.00 O ATOM 1046 CB GLU B 134 84.574 2.659 -8.093 1.00 0.00 C ATOM 1047 CG GLU B 134 83.996 1.295 -8.479 1.00 0.00 C ATOM 1048 CD GLU B 134 84.115 1.101 -9.991 1.00 0.00 C ATOM 1049 OE1 GLU B 134 85.142 0.608 -10.427 1.00 0.00 O ATOM 1050 OE2 GLU B 134 83.177 1.449 -10.688 1.00 0.00 O1- ATOM 0 H GLU B 134 86.535 0.903 -6.492 1.00 0.00 H new ATOM 0 HA GLU B 134 85.381 3.552 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU B 134 83.786 3.412 -8.093 1.00 0.00 H new ATOM 0 HB3 GLU B 134 85.315 2.973 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU B 134 84.529 0.501 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU B 134 82.951 1.231 -8.174 1.00 0.00 H new ATOM 1057 N SER B 135 83.129 2.326 -5.499 1.00 0.00 N ATOM 1058 CA SER B 135 82.177 1.644 -4.573 1.00 0.00 C ATOM 1059 C SER B 135 82.814 1.451 -3.194 1.00 0.00 C ATOM 1060 O SER B 135 82.616 0.444 -2.545 1.00 0.00 O ATOM 1061 CB SER B 135 81.877 0.290 -5.222 1.00 0.00 C ATOM 1062 OG SER B 135 80.684 0.387 -5.985 1.00 0.00 O ATOM 0 H SER B 135 82.787 3.199 -5.901 1.00 0.00 H new ATOM 0 HA SER B 135 81.270 2.229 -4.421 1.00 0.00 H new ATOM 0 HB2 SER B 135 82.707 -0.011 -5.861 1.00 0.00 H new ATOM 0 HB3 SER B 135 81.770 -0.477 -4.455 1.00 0.00 H new ATOM 0 HG SER B 135 79.944 -0.020 -5.488 1.00 0.00 H new ATOM 1068 N ALA B 136 83.572 2.411 -2.738 1.00 0.00 N ATOM 1069 CA ALA B 136 84.214 2.281 -1.399 1.00 0.00 C ATOM 1070 C ALA B 136 84.128 3.607 -0.639 1.00 0.00 C ATOM 1071 O ALA B 136 84.335 4.668 -1.196 1.00 0.00 O ATOM 1072 CB ALA B 136 85.670 1.923 -1.690 1.00 0.00 C ATOM 0 H ALA B 136 83.774 3.279 -3.234 1.00 0.00 H new ATOM 0 HA ALA B 136 83.726 1.529 -0.779 1.00 0.00 H new ATOM 0 HB1 ALA B 136 86.212 1.810 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA B 136 85.710 0.987 -2.247 1.00 0.00 H new ATOM 0 HB3 ALA B 136 86.129 2.716 -2.280 1.00 0.00 H new ATOM 1078 N ASP B 137 83.825 3.555 0.628 1.00 0.00 N ATOM 1079 CA ASP B 137 83.725 4.812 1.424 1.00 0.00 C ATOM 1080 C ASP B 137 84.440 4.644 2.767 1.00 0.00 C ATOM 1081 O ASP B 137 84.158 5.339 3.723 1.00 0.00 O ATOM 1082 CB ASP B 137 82.226 5.025 1.636 1.00 0.00 C ATOM 1083 CG ASP B 137 81.891 6.507 1.464 1.00 0.00 C ATOM 1084 OD1 ASP B 137 81.981 6.989 0.346 1.00 0.00 O1- ATOM 1085 OD2 ASP B 137 81.549 7.137 2.451 1.00 0.00 O ATOM 0 H ASP B 137 83.642 2.697 1.148 1.00 0.00 H new ATOM 0 HA ASP B 137 84.190 5.660 0.921 1.00 0.00 H new ATOM 0 HB2 ASP B 137 81.659 4.428 0.922 1.00 0.00 H new ATOM 0 HB3 ASP B 137 81.938 4.689 2.632 1.00 0.00 H new ATOM 1090 N PHE B 138 85.364 3.726 2.846 1.00 0.00 N ATOM 1091 CA PHE B 138 86.098 3.510 4.127 1.00 0.00 C ATOM 1092 C PHE B 138 87.549 3.116 3.846 1.00 0.00 C ATOM 1093 O PHE B 138 87.842 2.434 2.884 1.00 0.00 O ATOM 1094 CB PHE B 138 85.358 2.365 4.817 1.00 0.00 C ATOM 1095 CG PHE B 138 84.324 2.929 5.762 1.00 0.00 C ATOM 1096 CD1 PHE B 138 83.078 3.340 5.274 1.00 0.00 C ATOM 1097 CD2 PHE B 138 84.613 3.039 7.127 1.00 0.00 C ATOM 1098 CE1 PHE B 138 82.122 3.863 6.151 1.00 0.00 C ATOM 1099 CE2 PHE B 138 83.656 3.561 8.005 1.00 0.00 C ATOM 1100 CZ PHE B 138 82.410 3.973 7.517 1.00 0.00 C ATOM 0 H PHE B 138 85.643 3.115 2.078 1.00 0.00 H new ATOM 0 HA PHE B 138 86.127 4.409 4.743 1.00 0.00 H new ATOM 0 HB2 PHE B 138 84.878 1.728 4.074 1.00 0.00 H new ATOM 0 HB3 PHE B 138 86.063 1.740 5.364 1.00 0.00 H new ATOM 0 HD1 PHE B 138 82.855 3.253 4.221 1.00 0.00 H new ATOM 0 HD2 PHE B 138 85.574 2.721 7.503 1.00 0.00 H new ATOM 0 HE1 PHE B 138 81.161 4.182 5.774 1.00 0.00 H new ATOM 0 HE2 PHE B 138 83.879 3.646 9.058 1.00 0.00 H new ATOM 0 HZ PHE B 138 81.671 4.376 8.194 1.00 0.00 H new ATOM 1110 N TRP B 139 88.462 3.536 4.680 1.00 0.00 N ATOM 1111 CA TRP B 139 89.892 3.181 4.460 1.00 0.00 C ATOM 1112 C TRP B 139 90.477 2.542 5.722 1.00 0.00 C ATOM 1113 O TRP B 139 90.240 2.992 6.824 1.00 0.00 O ATOM 1114 CB TRP B 139 90.588 4.507 4.137 1.00 0.00 C ATOM 1115 CG TRP B 139 91.268 5.050 5.357 1.00 0.00 C ATOM 1116 CD1 TRP B 139 92.470 4.642 5.829 1.00 0.00 C ATOM 1117 CD2 TRP B 139 90.816 6.107 6.256 1.00 0.00 C ATOM 1118 NE1 TRP B 139 92.778 5.369 6.964 1.00 0.00 N ATOM 1119 CE2 TRP B 139 91.791 6.287 7.266 1.00 0.00 C ATOM 1120 CE3 TRP B 139 89.666 6.915 6.294 1.00 0.00 C ATOM 1121 CZ2 TRP B 139 91.630 7.235 8.278 1.00 0.00 C ATOM 1122 CZ3 TRP B 139 89.501 7.871 7.311 1.00 0.00 C ATOM 1123 CH2 TRP B 139 90.482 8.030 8.300 1.00 0.00 C ATOM 0 H TRP B 139 88.279 4.109 5.503 1.00 0.00 H new ATOM 0 HA TRP B 139 90.022 2.456 3.656 1.00 0.00 H new ATOM 0 HB2 TRP B 139 91.318 4.358 3.342 1.00 0.00 H new ATOM 0 HB3 TRP B 139 89.858 5.228 3.768 1.00 0.00 H new ATOM 0 HD1 TRP B 139 93.088 3.873 5.390 1.00 0.00 H new ATOM 0 HE1 TRP B 139 93.630 5.243 7.511 1.00 0.00 H new ATOM 0 HE3 TRP B 139 88.904 6.800 5.537 1.00 0.00 H new ATOM 0 HZ2 TRP B 139 92.388 7.353 9.038 1.00 0.00 H new ATOM 0 HZ3 TRP B 139 88.614 8.486 7.331 1.00 0.00 H new ATOM 0 HH2 TRP B 139 90.350 8.767 9.078 1.00 0.00 H new ATOM 1134 N CYS B 140 91.241 1.494 5.567 1.00 0.00 N ATOM 1135 CA CYS B 140 91.840 0.826 6.757 1.00 0.00 C ATOM 1136 C CYS B 140 92.969 1.685 7.335 1.00 0.00 C ATOM 1137 O CYS B 140 93.882 2.078 6.637 1.00 0.00 O ATOM 1138 CB CYS B 140 92.391 -0.499 6.229 1.00 0.00 C ATOM 1139 SG CYS B 140 91.260 -1.842 6.668 1.00 0.00 S ATOM 0 H CYS B 140 91.476 1.072 4.668 1.00 0.00 H new ATOM 0 HA CYS B 140 91.114 0.677 7.557 1.00 0.00 H new ATOM 0 HB2 CYS B 140 92.511 -0.450 5.147 1.00 0.00 H new ATOM 0 HB3 CYS B 140 93.378 -0.688 6.651 1.00 0.00 H new ATOM 0 HG CYS B 140 91.131 -1.896 7.960 1.00 0.00 H new ATOM 1144 N PHE B 141 92.910 1.979 8.604 1.00 0.00 N ATOM 1145 CA PHE B 141 93.979 2.812 9.226 1.00 0.00 C ATOM 1146 C PHE B 141 95.281 2.011 9.327 1.00 0.00 C ATOM 1147 O PHE B 141 96.350 2.506 9.029 1.00 0.00 O ATOM 1148 CB PHE B 141 93.451 3.158 10.618 1.00 0.00 C ATOM 1149 CG PHE B 141 94.569 3.737 11.451 1.00 0.00 C ATOM 1150 CD1 PHE B 141 95.440 4.681 10.895 1.00 0.00 C ATOM 1151 CD2 PHE B 141 94.733 3.331 12.780 1.00 0.00 C ATOM 1152 CE1 PHE B 141 96.477 5.218 11.668 1.00 0.00 C ATOM 1153 CE2 PHE B 141 95.769 3.867 13.554 1.00 0.00 C ATOM 1154 CZ PHE B 141 96.641 4.810 12.998 1.00 0.00 C ATOM 0 H PHE B 141 92.169 1.679 9.237 1.00 0.00 H new ATOM 0 HA PHE B 141 94.201 3.705 8.642 1.00 0.00 H new ATOM 0 HB2 PHE B 141 92.633 3.874 10.541 1.00 0.00 H new ATOM 0 HB3 PHE B 141 93.050 2.266 11.099 1.00 0.00 H new ATOM 0 HD1 PHE B 141 95.312 4.995 9.870 1.00 0.00 H new ATOM 0 HD2 PHE B 141 94.060 2.604 13.209 1.00 0.00 H new ATOM 0 HE1 PHE B 141 97.150 5.946 11.239 1.00 0.00 H new ATOM 0 HE2 PHE B 141 95.895 3.553 14.580 1.00 0.00 H new ATOM 0 HZ PHE B 141 97.441 5.223 13.595 1.00 0.00 H new ATOM 1164 N GLU B 142 95.198 0.777 9.744 1.00 0.00 N ATOM 1165 CA GLU B 142 96.432 -0.053 9.862 1.00 0.00 C ATOM 1166 C GLU B 142 96.997 -0.360 8.473 1.00 0.00 C ATOM 1167 O GLU B 142 98.173 -0.192 8.219 1.00 0.00 O ATOM 1168 CB GLU B 142 95.980 -1.340 10.554 1.00 0.00 C ATOM 1169 CG GLU B 142 96.532 -1.374 11.980 1.00 0.00 C ATOM 1170 CD GLU B 142 97.974 -1.884 11.955 1.00 0.00 C ATOM 1171 OE1 GLU B 142 98.729 -1.428 11.112 1.00 0.00 O ATOM 1172 OE2 GLU B 142 98.301 -2.722 12.779 1.00 0.00 O1- ATOM 0 H GLU B 142 94.331 0.308 10.008 1.00 0.00 H new ATOM 0 HA GLU B 142 97.219 0.454 10.420 1.00 0.00 H new ATOM 0 HB2 GLU B 142 94.891 -1.392 10.573 1.00 0.00 H new ATOM 0 HB3 GLU B 142 96.331 -2.208 9.996 1.00 0.00 H new ATOM 0 HG2 GLU B 142 96.495 -0.377 12.420 1.00 0.00 H new ATOM 0 HG3 GLU B 142 95.916 -2.021 12.605 1.00 0.00 H new ATOM 1179 N CYS B 143 96.168 -0.809 7.571 1.00 0.00 N ATOM 1180 CA CYS B 143 96.658 -1.126 6.199 1.00 0.00 C ATOM 1181 C CYS B 143 96.829 0.161 5.384 1.00 0.00 C ATOM 1182 O CYS B 143 97.503 0.180 4.373 1.00 0.00 O ATOM 1183 CB CYS B 143 95.572 -2.008 5.583 1.00 0.00 C ATOM 1184 SG CYS B 143 95.133 -3.327 6.743 1.00 0.00 S ATOM 0 H CYS B 143 95.173 -0.970 7.724 1.00 0.00 H new ATOM 0 HA CYS B 143 97.628 -1.623 6.214 1.00 0.00 H new ATOM 0 HB2 CYS B 143 94.692 -1.409 5.348 1.00 0.00 H new ATOM 0 HB3 CYS B 143 95.926 -2.437 4.645 1.00 0.00 H new ATOM 0 HG CYS B 143 94.208 -4.075 6.219 1.00 0.00 H new ATOM 1189 N GLU B 144 96.223 1.236 5.813 1.00 0.00 N ATOM 1190 CA GLU B 144 96.355 2.514 5.058 1.00 0.00 C ATOM 1191 C GLU B 144 95.919 2.314 3.604 1.00 0.00 C ATOM 1192 O GLU B 144 96.583 2.743 2.681 1.00 0.00 O ATOM 1193 CB GLU B 144 97.841 2.867 5.132 1.00 0.00 C ATOM 1194 CG GLU B 144 98.308 2.804 6.588 1.00 0.00 C ATOM 1195 CD GLU B 144 99.753 3.297 6.681 1.00 0.00 C ATOM 1196 OE1 GLU B 144 100.500 3.061 5.747 1.00 0.00 O ATOM 1197 OE2 GLU B 144 100.087 3.906 7.685 1.00 0.00 O1- ATOM 0 H GLU B 144 95.644 1.284 6.651 1.00 0.00 H new ATOM 0 HA GLU B 144 95.729 3.306 5.470 1.00 0.00 H new ATOM 0 HB2 GLU B 144 98.421 2.174 4.522 1.00 0.00 H new ATOM 0 HB3 GLU B 144 98.009 3.865 4.728 1.00 0.00 H new ATOM 0 HG2 GLU B 144 97.662 3.418 7.215 1.00 0.00 H new ATOM 0 HG3 GLU B 144 98.236 1.782 6.960 1.00 0.00 H new ATOM 1204 N GLN B 145 94.810 1.660 3.393 1.00 0.00 N ATOM 1205 CA GLN B 145 94.332 1.427 1.998 1.00 0.00 C ATOM 1206 C GLN B 145 92.810 1.578 1.925 1.00 0.00 C ATOM 1207 O GLN B 145 92.118 1.462 2.918 1.00 0.00 O ATOM 1208 CB GLN B 145 94.742 -0.010 1.677 1.00 0.00 C ATOM 1209 CG GLN B 145 96.050 -0.004 0.884 1.00 0.00 C ATOM 1210 CD GLN B 145 95.979 -1.055 -0.227 1.00 0.00 C ATOM 1211 OE1 GLN B 145 96.387 -0.803 -1.344 1.00 0.00 O ATOM 1212 NE2 GLN B 145 95.475 -2.230 0.034 1.00 0.00 N ATOM 0 H GLN B 145 94.213 1.276 4.126 1.00 0.00 H new ATOM 0 HA GLN B 145 94.755 2.142 1.292 1.00 0.00 H new ATOM 0 HB2 GLN B 145 94.866 -0.578 2.599 1.00 0.00 H new ATOM 0 HB3 GLN B 145 93.958 -0.503 1.102 1.00 0.00 H new ATOM 0 HG2 GLN B 145 96.223 0.983 0.455 1.00 0.00 H new ATOM 0 HG3 GLN B 145 96.890 -0.215 1.546 1.00 0.00 H new ATOM 0 HE21 GLN B 145 95.133 -2.441 0.971 1.00 0.00 H new ATOM 0 HE22 GLN B 145 95.423 -2.937 -0.699 1.00 0.00 H new ATOM 1221 N LEU B 146 92.282 1.831 0.759 1.00 0.00 N ATOM 1222 CA LEU B 146 90.803 1.984 0.627 1.00 0.00 C ATOM 1223 C LEU B 146 90.162 0.630 0.308 1.00 0.00 C ATOM 1224 O LEU B 146 90.711 -0.170 -0.422 1.00 0.00 O ATOM 1225 CB LEU B 146 90.601 2.956 -0.536 1.00 0.00 C ATOM 1226 CG LEU B 146 91.646 4.071 -0.463 1.00 0.00 C ATOM 1227 CD1 LEU B 146 91.227 5.224 -1.377 1.00 0.00 C ATOM 1228 CD2 LEU B 146 91.754 4.575 0.977 1.00 0.00 C ATOM 0 H LEU B 146 92.809 1.939 -0.108 1.00 0.00 H new ATOM 0 HA LEU B 146 90.344 2.350 1.545 1.00 0.00 H new ATOM 0 HB2 LEU B 146 90.686 2.426 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU B 146 89.598 3.381 -0.497 1.00 0.00 H new ATOM 0 HG LEU B 146 92.613 3.685 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU B 146 91.971 6.018 -1.325 1.00 0.00 H new ATOM 0 HD12 LEU B 146 91.150 4.865 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU B 146 90.260 5.611 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU B 146 92.498 5.369 1.030 1.00 0.00 H new ATOM 0 HD22 LEU B 146 90.788 4.961 1.301 1.00 0.00 H new ATOM 0 HD23 LEU B 146 92.053 3.754 1.628 1.00 0.00 H new ATOM 1240 N LEU B 147 89.004 0.367 0.850 1.00 0.00 N ATOM 1241 CA LEU B 147 88.334 -0.936 0.574 1.00 0.00 C ATOM 1242 C LEU B 147 86.845 -0.718 0.290 1.00 0.00 C ATOM 1243 O LEU B 147 86.204 0.122 0.890 1.00 0.00 O ATOM 1244 CB LEU B 147 88.524 -1.756 1.850 1.00 0.00 C ATOM 1245 CG LEU B 147 89.930 -2.358 1.861 1.00 0.00 C ATOM 1246 CD1 LEU B 147 90.135 -3.153 3.152 1.00 0.00 C ATOM 1247 CD2 LEU B 147 90.096 -3.288 0.657 1.00 0.00 C ATOM 0 H LEU B 147 88.494 0.996 1.470 1.00 0.00 H new ATOM 0 HA LEU B 147 88.751 -1.438 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU B 147 88.380 -1.124 2.726 1.00 0.00 H new ATOM 0 HB3 LEU B 147 87.777 -2.548 1.901 1.00 0.00 H new ATOM 0 HG LEU B 147 90.668 -1.558 1.807 1.00 0.00 H new ATOM 0 HD11 LEU B 147 91.137 -3.582 3.160 1.00 0.00 H new ATOM 0 HD12 LEU B 147 90.017 -2.491 4.010 1.00 0.00 H new ATOM 0 HD13 LEU B 147 89.397 -3.953 3.207 1.00 0.00 H new ATOM 0 HD21 LEU B 147 91.098 -3.717 0.664 1.00 0.00 H new ATOM 0 HD22 LEU B 147 89.358 -4.088 0.711 1.00 0.00 H new ATOM 0 HD23 LEU B 147 89.951 -2.722 -0.263 1.00 0.00 H new ATOM 1259 N CYS B 148 86.292 -1.468 -0.624 1.00 0.00 N ATOM 1260 CA CYS B 148 84.846 -1.306 -0.950 1.00 0.00 C ATOM 1261 C CYS B 148 83.984 -2.053 0.071 1.00 0.00 C ATOM 1262 O CYS B 148 84.481 -2.794 0.894 1.00 0.00 O ATOM 1263 CB CYS B 148 84.683 -1.920 -2.341 1.00 0.00 C ATOM 1264 SG CYS B 148 85.079 -3.685 -2.270 1.00 0.00 S ATOM 0 H CYS B 148 86.779 -2.186 -1.160 1.00 0.00 H new ATOM 0 HA CYS B 148 84.532 -0.262 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS B 148 83.662 -1.779 -2.695 1.00 0.00 H new ATOM 0 HB3 CYS B 148 85.339 -1.417 -3.052 1.00 0.00 H new ATOM 0 HG CYS B 148 86.205 -3.852 -1.641 1.00 0.00 H new ATOM 1269 N ALA B 149 82.693 -1.864 0.021 1.00 0.00 N ATOM 1270 CA ALA B 149 81.799 -2.564 0.988 1.00 0.00 C ATOM 1271 C ALA B 149 81.965 -4.081 0.858 1.00 0.00 C ATOM 1272 O ALA B 149 81.698 -4.826 1.780 1.00 0.00 O ATOM 1273 CB ALA B 149 80.384 -2.142 0.595 1.00 0.00 C ATOM 0 H ALA B 149 82.219 -1.256 -0.647 1.00 0.00 H new ATOM 0 HA ALA B 149 82.027 -2.308 2.023 1.00 0.00 H new ATOM 0 HB1 ALA B 149 79.664 -2.617 1.262 1.00 0.00 H new ATOM 0 HB2 ALA B 149 80.292 -1.059 0.674 1.00 0.00 H new ATOM 0 HB3 ALA B 149 80.185 -2.449 -0.432 1.00 0.00 H new ATOM 1279 N LYS B 150 82.404 -4.543 -0.280 1.00 0.00 N ATOM 1280 CA LYS B 150 82.587 -6.010 -0.469 1.00 0.00 C ATOM 1281 C LYS B 150 83.850 -6.487 0.254 1.00 0.00 C ATOM 1282 O LYS B 150 83.973 -7.641 0.612 1.00 0.00 O ATOM 1283 CB LYS B 150 82.731 -6.199 -1.980 1.00 0.00 C ATOM 1284 CG LYS B 150 81.757 -7.279 -2.454 1.00 0.00 C ATOM 1285 CD LYS B 150 82.337 -8.660 -2.141 1.00 0.00 C ATOM 1286 CE LYS B 150 81.632 -9.243 -0.914 1.00 0.00 C ATOM 1287 NZ LYS B 150 82.185 -10.618 -0.772 1.00 0.00 N1+ ATOM 0 H LYS B 150 82.644 -3.968 -1.088 1.00 0.00 H new ATOM 0 HA LYS B 150 81.755 -6.584 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS B 150 82.529 -5.260 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS B 150 83.754 -6.484 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS B 150 80.793 -7.157 -1.960 1.00 0.00 H new ATOM 0 HG3 LYS B 150 81.581 -7.181 -3.525 1.00 0.00 H new ATOM 0 HD2 LYS B 150 82.208 -9.323 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS B 150 83.408 -8.583 -1.956 1.00 0.00 H new ATOM 0 HE2 LYS B 150 81.828 -8.645 -0.024 1.00 0.00 H new ATOM 0 HE3 LYS B 150 80.551 -9.264 -1.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 150 81.750 -11.084 0.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 150 81.978 -11.166 -1.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 150 83.215 -10.566 -0.635 1.00 0.00 H new ATOM 1301 N CYS B 151 84.789 -5.606 0.472 1.00 0.00 N ATOM 1302 CA CYS B 151 86.043 -6.010 1.171 1.00 0.00 C ATOM 1303 C CYS B 151 86.047 -5.478 2.607 1.00 0.00 C ATOM 1304 O CYS B 151 86.401 -6.176 3.536 1.00 0.00 O ATOM 1305 CB CYS B 151 87.171 -5.371 0.361 1.00 0.00 C ATOM 1306 SG CYS B 151 87.188 -6.073 -1.308 1.00 0.00 S ATOM 0 H CYS B 151 84.742 -4.625 0.197 1.00 0.00 H new ATOM 0 HA CYS B 151 86.148 -7.093 1.235 1.00 0.00 H new ATOM 0 HB2 CYS B 151 87.031 -4.291 0.311 1.00 0.00 H new ATOM 0 HB3 CYS B 151 88.129 -5.546 0.851 1.00 0.00 H new ATOM 0 HG CYS B 151 86.234 -5.540 -2.013 1.00 0.00 H new ATOM 1311 N PHE B 152 85.656 -4.247 2.797 1.00 0.00 N ATOM 1312 CA PHE B 152 85.639 -3.676 4.174 1.00 0.00 C ATOM 1313 C PHE B 152 84.814 -4.570 5.104 1.00 0.00 C ATOM 1314 O PHE B 152 85.277 -4.997 6.145 1.00 0.00 O ATOM 1315 CB PHE B 152 84.984 -2.303 4.025 1.00 0.00 C ATOM 1316 CG PHE B 152 84.812 -1.668 5.386 1.00 0.00 C ATOM 1317 CD1 PHE B 152 85.712 -1.964 6.419 1.00 0.00 C ATOM 1318 CD2 PHE B 152 83.752 -0.783 5.616 1.00 0.00 C ATOM 1319 CE1 PHE B 152 85.550 -1.375 7.678 1.00 0.00 C ATOM 1320 CE2 PHE B 152 83.591 -0.193 6.876 1.00 0.00 C ATOM 1321 CZ PHE B 152 84.490 -0.489 7.906 1.00 0.00 C ATOM 0 H PHE B 152 85.348 -3.613 2.060 1.00 0.00 H new ATOM 0 HA PHE B 152 86.637 -3.604 4.606 1.00 0.00 H new ATOM 0 HB2 PHE B 152 85.598 -1.664 3.390 1.00 0.00 H new ATOM 0 HB3 PHE B 152 84.015 -2.403 3.535 1.00 0.00 H new ATOM 0 HD1 PHE B 152 86.530 -2.647 6.243 1.00 0.00 H new ATOM 0 HD2 PHE B 152 83.058 -0.555 4.821 1.00 0.00 H new ATOM 0 HE1 PHE B 152 86.243 -1.604 8.474 1.00 0.00 H new ATOM 0 HE2 PHE B 152 82.773 0.490 7.052 1.00 0.00 H new ATOM 0 HZ PHE B 152 84.366 -0.034 8.878 1.00 0.00 H new ATOM 1331 N GLU B 153 83.597 -4.859 4.734 1.00 0.00 N ATOM 1332 CA GLU B 153 82.744 -5.729 5.594 1.00 0.00 C ATOM 1333 C GLU B 153 83.385 -7.110 5.737 1.00 0.00 C ATOM 1334 O GLU B 153 83.447 -7.670 6.814 1.00 0.00 O ATOM 1335 CB GLU B 153 81.408 -5.829 4.857 1.00 0.00 C ATOM 1336 CG GLU B 153 80.818 -7.225 5.061 1.00 0.00 C ATOM 1337 CD GLU B 153 79.394 -7.264 4.504 1.00 0.00 C ATOM 1338 OE1 GLU B 153 79.236 -7.031 3.317 1.00 0.00 O ATOM 1339 OE2 GLU B 153 78.485 -7.529 5.275 1.00 0.00 O1- ATOM 0 H GLU B 153 83.156 -4.531 3.875 1.00 0.00 H new ATOM 0 HA GLU B 153 82.622 -5.328 6.600 1.00 0.00 H new ATOM 0 HB2 GLU B 153 80.717 -5.072 5.229 1.00 0.00 H new ATOM 0 HB3 GLU B 153 81.551 -5.635 3.794 1.00 0.00 H new ATOM 0 HG2 GLU B 153 81.436 -7.969 4.560 1.00 0.00 H new ATOM 0 HG3 GLU B 153 80.812 -7.477 6.121 1.00 0.00 H new ATOM 1346 N ALA B 154 83.868 -7.663 4.657 1.00 0.00 N ATOM 1347 CA ALA B 154 84.510 -9.006 4.730 1.00 0.00 C ATOM 1348 C ALA B 154 85.655 -8.984 5.746 1.00 0.00 C ATOM 1349 O ALA B 154 85.767 -9.850 6.591 1.00 0.00 O ATOM 1350 CB ALA B 154 85.046 -9.266 3.323 1.00 0.00 C ATOM 0 H ALA B 154 83.846 -7.243 3.728 1.00 0.00 H new ATOM 0 HA ALA B 154 83.814 -9.782 5.049 1.00 0.00 H new ATOM 0 HB1 ALA B 154 85.535 -10.240 3.294 1.00 0.00 H new ATOM 0 HB2 ALA B 154 84.221 -9.253 2.611 1.00 0.00 H new ATOM 0 HB3 ALA B 154 85.765 -8.491 3.059 1.00 0.00 H new ATOM 1356 N HIS B 155 86.503 -7.995 5.672 1.00 0.00 N ATOM 1357 CA HIS B 155 87.638 -7.911 6.636 1.00 0.00 C ATOM 1358 C HIS B 155 87.104 -7.927 8.071 1.00 0.00 C ATOM 1359 O HIS B 155 87.464 -8.769 8.873 1.00 0.00 O ATOM 1360 CB HIS B 155 88.315 -6.575 6.328 1.00 0.00 C ATOM 1361 CG HIS B 155 89.730 -6.593 6.839 1.00 0.00 C ATOM 1362 ND1 HIS B 155 90.579 -7.668 6.629 1.00 0.00 N ATOM 1363 CD2 HIS B 155 90.461 -5.671 7.546 1.00 0.00 C ATOM 1364 CE1 HIS B 155 91.761 -7.368 7.198 1.00 0.00 C ATOM 1365 NE2 HIS B 155 91.743 -6.162 7.771 1.00 0.00 N ATOM 0 H HIS B 155 86.460 -7.241 4.986 1.00 0.00 H new ATOM 0 HA HIS B 155 88.330 -8.748 6.543 1.00 0.00 H new ATOM 0 HB2 HIS B 155 88.309 -6.392 5.253 1.00 0.00 H new ATOM 0 HB3 HIS B 155 87.761 -5.760 6.793 1.00 0.00 H new ATOM 0 HD1 HIS B 155 90.350 -8.530 6.133 1.00 0.00 H new ATOM 0 HD2 HIS B 155 90.096 -4.710 7.877 1.00 0.00 H new ATOM 0 HE1 HIS B 155 92.620 -8.023 7.192 1.00 0.00 H new ATOM 1373 N GLN B 156 86.238 -7.005 8.393 1.00 0.00 N ATOM 1374 CA GLN B 156 85.668 -6.963 9.770 1.00 0.00 C ATOM 1375 C GLN B 156 85.114 -8.338 10.151 1.00 0.00 C ATOM 1376 O GLN B 156 84.999 -8.671 11.314 1.00 0.00 O ATOM 1377 CB GLN B 156 84.541 -5.933 9.692 1.00 0.00 C ATOM 1378 CG GLN B 156 84.531 -5.085 10.966 1.00 0.00 C ATOM 1379 CD GLN B 156 83.538 -3.932 10.797 1.00 0.00 C ATOM 1380 OE1 GLN B 156 82.365 -4.080 11.075 1.00 0.00 O ATOM 1381 NE2 GLN B 156 83.963 -2.782 10.349 1.00 0.00 N ATOM 0 H GLN B 156 85.900 -6.279 7.762 1.00 0.00 H new ATOM 0 HA GLN B 156 86.412 -6.701 10.523 1.00 0.00 H new ATOM 0 HB2 GLN B 156 84.678 -5.295 8.819 1.00 0.00 H new ATOM 0 HB3 GLN B 156 83.582 -6.437 9.571 1.00 0.00 H new ATOM 0 HG2 GLN B 156 84.252 -5.698 11.823 1.00 0.00 H new ATOM 0 HG3 GLN B 156 85.529 -4.695 11.165 1.00 0.00 H new ATOM 0 HE21 GLN B 156 84.948 -2.658 10.116 1.00 0.00 H new ATOM 0 HE22 GLN B 156 83.310 -2.007 10.232 1.00 0.00 H new ATOM 1390 N TRP B 157 84.773 -9.140 9.180 1.00 0.00 N ATOM 1391 CA TRP B 157 84.227 -10.492 9.485 1.00 0.00 C ATOM 1392 C TRP B 157 85.359 -11.521 9.514 1.00 0.00 C ATOM 1393 O TRP B 157 85.407 -12.384 10.368 1.00 0.00 O ATOM 1394 CB TRP B 157 83.259 -10.795 8.342 1.00 0.00 C ATOM 1395 CG TRP B 157 82.502 -12.047 8.651 1.00 0.00 C ATOM 1396 CD1 TRP B 157 83.039 -13.286 8.706 1.00 0.00 C ATOM 1397 CD2 TRP B 157 81.083 -12.201 8.946 1.00 0.00 C ATOM 1398 NE1 TRP B 157 82.040 -14.193 9.016 1.00 0.00 N ATOM 1399 CE2 TRP B 157 80.818 -13.572 9.174 1.00 0.00 C ATOM 1400 CE3 TRP B 157 80.013 -11.294 9.038 1.00 0.00 C ATOM 1401 CZ2 TRP B 157 79.535 -14.026 9.482 1.00 0.00 C ATOM 1402 CZ3 TRP B 157 78.720 -11.748 9.348 1.00 0.00 C ATOM 1403 CH2 TRP B 157 78.482 -13.111 9.569 1.00 0.00 C ATOM 0 H TRP B 157 84.849 -8.917 8.188 1.00 0.00 H new ATOM 0 HA TRP B 157 83.735 -10.530 10.457 1.00 0.00 H new ATOM 0 HB2 TRP B 157 82.568 -9.963 8.206 1.00 0.00 H new ATOM 0 HB3 TRP B 157 83.807 -10.910 7.407 1.00 0.00 H new ATOM 0 HD1 TRP B 157 84.078 -13.529 8.536 1.00 0.00 H new ATOM 0 HE1 TRP B 157 82.189 -15.197 9.115 1.00 0.00 H new ATOM 0 HE3 TRP B 157 80.186 -10.241 8.869 1.00 0.00 H new ATOM 0 HZ2 TRP B 157 79.357 -15.078 9.652 1.00 0.00 H new ATOM 0 HZ3 TRP B 157 77.905 -11.043 9.416 1.00 0.00 H new ATOM 0 HH2 TRP B 157 77.486 -13.454 9.806 1.00 0.00 H new ATOM 1414 N PHE B 158 86.272 -11.436 8.585 1.00 0.00 N ATOM 1415 CA PHE B 158 87.400 -12.409 8.560 1.00 0.00 C ATOM 1416 C PHE B 158 88.151 -12.383 9.890 1.00 0.00 C ATOM 1417 O PHE B 158 88.834 -13.321 10.247 1.00 0.00 O ATOM 1418 CB PHE B 158 88.306 -11.939 7.422 1.00 0.00 C ATOM 1419 CG PHE B 158 88.306 -12.974 6.322 1.00 0.00 C ATOM 1420 CD1 PHE B 158 88.728 -14.282 6.591 1.00 0.00 C ATOM 1421 CD2 PHE B 158 87.882 -12.626 5.035 1.00 0.00 C ATOM 1422 CE1 PHE B 158 88.726 -15.241 5.571 1.00 0.00 C ATOM 1423 CE2 PHE B 158 87.880 -13.585 4.015 1.00 0.00 C ATOM 1424 CZ PHE B 158 88.302 -14.892 4.283 1.00 0.00 C ATOM 0 H PHE B 158 86.285 -10.736 7.843 1.00 0.00 H new ATOM 0 HA PHE B 158 87.057 -13.433 8.410 1.00 0.00 H new ATOM 0 HB2 PHE B 158 87.957 -10.982 7.036 1.00 0.00 H new ATOM 0 HB3 PHE B 158 89.320 -11.783 7.790 1.00 0.00 H new ATOM 0 HD1 PHE B 158 89.055 -14.551 7.585 1.00 0.00 H new ATOM 0 HD2 PHE B 158 87.556 -11.617 4.828 1.00 0.00 H new ATOM 0 HE1 PHE B 158 89.051 -16.250 5.778 1.00 0.00 H new ATOM 0 HE2 PHE B 158 87.553 -13.316 3.021 1.00 0.00 H new ATOM 0 HZ PHE B 158 88.301 -15.632 3.496 1.00 0.00 H new ATOM 1434 N LEU B 159 88.033 -11.312 10.625 1.00 0.00 N ATOM 1435 CA LEU B 159 88.747 -11.226 11.928 1.00 0.00 C ATOM 1436 C LEU B 159 88.337 -9.944 12.664 1.00 0.00 C ATOM 1437 O LEU B 159 87.184 -9.561 12.657 1.00 0.00 O ATOM 1438 CB LEU B 159 90.221 -11.202 11.541 1.00 0.00 C ATOM 1439 CG LEU B 159 90.457 -10.031 10.596 1.00 0.00 C ATOM 1440 CD1 LEU B 159 91.530 -9.108 11.175 1.00 0.00 C ATOM 1441 CD2 LEU B 159 90.914 -10.568 9.247 1.00 0.00 C ATOM 0 H LEU B 159 87.474 -10.495 10.380 1.00 0.00 H new ATOM 0 HA LEU B 159 88.518 -12.051 12.603 1.00 0.00 H new ATOM 0 HB2 LEU B 159 90.844 -11.102 12.430 1.00 0.00 H new ATOM 0 HB3 LEU B 159 90.501 -12.139 11.059 1.00 0.00 H new ATOM 0 HG LEU B 159 89.533 -9.466 10.473 1.00 0.00 H new ATOM 0 HD11 LEU B 159 91.696 -8.272 10.496 1.00 0.00 H new ATOM 0 HD12 LEU B 159 91.201 -8.730 12.143 1.00 0.00 H new ATOM 0 HD13 LEU B 159 92.459 -9.664 11.300 1.00 0.00 H new ATOM 0 HD21 LEU B 159 91.085 -9.736 8.564 1.00 0.00 H new ATOM 0 HD22 LEU B 159 91.839 -11.130 9.374 1.00 0.00 H new ATOM 0 HD23 LEU B 159 90.145 -11.222 8.836 1.00 0.00 H new ATOM 1453 N LYS B 160 89.261 -9.278 13.301 1.00 0.00 N ATOM 1454 CA LYS B 160 88.906 -8.027 14.032 1.00 0.00 C ATOM 1455 C LYS B 160 89.694 -6.840 13.472 1.00 0.00 C ATOM 1456 O LYS B 160 90.885 -6.721 13.679 1.00 0.00 O ATOM 1457 CB LYS B 160 89.295 -8.292 15.486 1.00 0.00 C ATOM 1458 CG LYS B 160 88.294 -9.265 16.112 1.00 0.00 C ATOM 1459 CD LYS B 160 88.925 -9.932 17.335 1.00 0.00 C ATOM 1460 CE LYS B 160 87.956 -10.969 17.907 1.00 0.00 C ATOM 1461 NZ LYS B 160 88.284 -12.233 17.189 1.00 0.00 N1+ ATOM 0 H LYS B 160 90.244 -9.545 13.347 1.00 0.00 H new ATOM 0 HA LYS B 160 87.849 -7.779 13.932 1.00 0.00 H new ATOM 0 HB2 LYS B 160 90.301 -8.708 15.534 1.00 0.00 H new ATOM 0 HB3 LYS B 160 89.309 -7.357 16.046 1.00 0.00 H new ATOM 0 HG2 LYS B 160 87.387 -8.734 16.402 1.00 0.00 H new ATOM 0 HG3 LYS B 160 88.001 -10.021 15.383 1.00 0.00 H new ATOM 0 HD2 LYS B 160 89.864 -10.410 17.058 1.00 0.00 H new ATOM 0 HD3 LYS B 160 89.160 -9.182 18.091 1.00 0.00 H new ATOM 0 HE2 LYS B 160 88.086 -11.080 18.983 1.00 0.00 H new ATOM 0 HE3 LYS B 160 86.919 -10.676 17.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 160 87.661 -12.995 17.525 1.00 0.00 H new ATOM 0 HZ2 LYS B 160 88.145 -12.098 16.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 160 89.275 -12.489 17.373 1.00 0.00 H new ATOM 1475 N HIS B 161 89.038 -5.961 12.768 1.00 0.00 N ATOM 1476 CA HIS B 161 89.749 -4.781 12.199 1.00 0.00 C ATOM 1477 C HIS B 161 88.861 -3.538 12.293 1.00 0.00 C ATOM 1478 O HIS B 161 87.653 -3.633 12.378 1.00 0.00 O ATOM 1479 CB HIS B 161 90.013 -5.144 10.737 1.00 0.00 C ATOM 1480 CG HIS B 161 91.212 -4.382 10.243 1.00 0.00 C ATOM 1481 ND1 HIS B 161 91.326 -3.280 9.434 1.00 0.00 N flip ATOM 1482 CD2 HIS B 161 92.507 -4.740 10.581 1.00 0.00 C flip ATOM 1483 CE1 HIS B 161 92.669 -2.956 9.270 1.00 0.00 C flip ATOM 1484 NE2 HIS B 161 93.337 -3.867 9.982 1.00 0.00 N flip ATOM 0 H HIS B 161 88.040 -6.008 12.562 1.00 0.00 H new ATOM 0 HA HIS B 161 90.671 -4.555 12.734 1.00 0.00 H new ATOM 0 HB2 HIS B 161 90.185 -6.216 10.642 1.00 0.00 H new ATOM 0 HB3 HIS B 161 89.141 -4.906 10.128 1.00 0.00 H new ATOM 0 HD2 HIS B 161 92.797 -5.568 11.210 1.00 0.00 H new ATOM 0 HE1 HIS B 161 93.082 -2.143 8.692 1.00 0.00 H new ATOM 0 HE2 HIS B 161 94.353 -3.897 10.062 1.00 0.00 H new ATOM 1492 N GLU B 162 89.449 -2.374 12.282 1.00 0.00 N ATOM 1493 CA GLU B 162 88.632 -1.129 12.374 1.00 0.00 C ATOM 1494 C GLU B 162 89.049 -0.136 11.286 1.00 0.00 C ATOM 1495 O GLU B 162 90.220 0.062 11.029 1.00 0.00 O ATOM 1496 CB GLU B 162 88.933 -0.559 13.760 1.00 0.00 C ATOM 1497 CG GLU B 162 87.995 0.617 14.039 1.00 0.00 C ATOM 1498 CD GLU B 162 88.167 1.073 15.490 1.00 0.00 C ATOM 1499 OE1 GLU B 162 89.071 0.576 16.142 1.00 0.00 O ATOM 1500 OE2 GLU B 162 87.395 1.912 15.922 1.00 0.00 O1- ATOM 0 H GLU B 162 90.456 -2.230 12.214 1.00 0.00 H new ATOM 0 HA GLU B 162 87.569 -1.325 12.234 1.00 0.00 H new ATOM 0 HB2 GLU B 162 88.803 -1.330 14.519 1.00 0.00 H new ATOM 0 HB3 GLU B 162 89.971 -0.231 13.813 1.00 0.00 H new ATOM 0 HG2 GLU B 162 88.214 1.440 13.359 1.00 0.00 H new ATOM 0 HG3 GLU B 162 86.961 0.322 13.859 1.00 0.00 H new ATOM 1507 N ALA B 163 88.099 0.490 10.648 1.00 0.00 N ATOM 1508 CA ALA B 163 88.438 1.471 9.580 1.00 0.00 C ATOM 1509 C ALA B 163 87.569 2.724 9.723 1.00 0.00 C ATOM 1510 O ALA B 163 86.427 2.656 10.132 1.00 0.00 O ATOM 1511 CB ALA B 163 88.132 0.751 8.267 1.00 0.00 C ATOM 0 H ALA B 163 87.102 0.364 10.821 1.00 0.00 H new ATOM 0 HA ALA B 163 89.477 1.796 9.631 1.00 0.00 H new ATOM 0 HB1 ALA B 163 88.357 1.411 7.429 1.00 0.00 H new ATOM 0 HB2 ALA B 163 88.743 -0.149 8.194 1.00 0.00 H new ATOM 0 HB3 ALA B 163 87.077 0.476 8.240 1.00 0.00 H new ATOM 1517 N ARG B 164 88.102 3.868 9.391 1.00 0.00 N ATOM 1518 CA ARG B 164 87.307 5.124 9.512 1.00 0.00 C ATOM 1519 C ARG B 164 86.658 5.470 8.170 1.00 0.00 C ATOM 1520 O ARG B 164 87.096 5.017 7.132 1.00 0.00 O ATOM 1521 CB ARG B 164 88.321 6.196 9.908 1.00 0.00 C ATOM 1522 CG ARG B 164 88.904 5.865 11.284 1.00 0.00 C ATOM 1523 CD ARG B 164 88.013 6.469 12.372 1.00 0.00 C ATOM 1524 NE ARG B 164 88.956 7.158 13.297 1.00 0.00 N ATOM 1525 CZ ARG B 164 89.039 6.782 14.543 1.00 0.00 C ATOM 1526 NH1 ARG B 164 89.759 5.742 14.864 1.00 0.00 N1+ ATOM 1527 NH2 ARG B 164 88.403 7.447 15.469 1.00 0.00 N ATOM 0 H ARG B 164 89.053 3.988 9.041 1.00 0.00 H new ATOM 0 HA ARG B 164 86.501 5.035 10.241 1.00 0.00 H new ATOM 0 HB2 ARG B 164 89.118 6.249 9.167 1.00 0.00 H new ATOM 0 HB3 ARG B 164 87.841 7.175 9.930 1.00 0.00 H new ATOM 0 HG2 ARG B 164 88.972 4.785 11.412 1.00 0.00 H new ATOM 0 HG3 ARG B 164 89.917 6.260 11.367 1.00 0.00 H new ATOM 0 HD2 ARG B 164 87.292 7.168 11.949 1.00 0.00 H new ATOM 0 HD3 ARG B 164 87.443 5.698 12.890 1.00 0.00 H new ATOM 0 HE ARG B 164 89.537 7.924 12.956 1.00 0.00 H new ATOM 0 HH11 ARG B 164 90.257 5.223 14.140 1.00 0.00 H new ATOM 0 HH12 ARG B 164 89.824 5.448 15.838 1.00 0.00 H new ATOM 0 HH21 ARG B 164 87.841 8.261 15.218 1.00 0.00 H new ATOM 0 HH22 ARG B 164 88.468 7.153 16.444 1.00 0.00 H new ATOM 1541 N PRO B 165 85.627 6.269 8.240 1.00 0.00 N ATOM 1542 CA PRO B 165 84.902 6.687 7.015 1.00 0.00 C ATOM 1543 C PRO B 165 85.744 7.682 6.212 1.00 0.00 C ATOM 1544 O PRO B 165 86.488 8.469 6.763 1.00 0.00 O ATOM 1545 CB PRO B 165 83.640 7.353 7.556 1.00 0.00 C ATOM 1546 CG PRO B 165 84.005 7.811 8.933 1.00 0.00 C ATOM 1547 CD PRO B 165 85.045 6.853 9.455 1.00 0.00 C ATOM 0 HA PRO B 165 84.684 5.859 6.340 1.00 0.00 H new ATOM 0 HB2 PRO B 165 83.336 8.191 6.929 1.00 0.00 H new ATOM 0 HB3 PRO B 165 82.804 6.654 7.581 1.00 0.00 H new ATOM 0 HG2 PRO B 165 84.395 8.829 8.910 1.00 0.00 H new ATOM 0 HG3 PRO B 165 83.129 7.820 9.581 1.00 0.00 H new ATOM 0 HD2 PRO B 165 85.798 7.367 10.052 1.00 0.00 H new ATOM 0 HD3 PRO B 165 84.600 6.089 10.092 1.00 0.00 H new ATOM 1555 N LEU B 166 85.630 7.654 4.912 1.00 0.00 N ATOM 1556 CA LEU B 166 86.422 8.600 4.074 1.00 0.00 C ATOM 1557 C LEU B 166 86.134 10.043 4.493 1.00 0.00 C ATOM 1558 O LEU B 166 86.918 10.939 4.250 1.00 0.00 O ATOM 1559 CB LEU B 166 85.950 8.351 2.642 1.00 0.00 C ATOM 1560 CG LEU B 166 86.971 7.476 1.912 1.00 0.00 C ATOM 1561 CD1 LEU B 166 87.423 6.343 2.835 1.00 0.00 C ATOM 1562 CD2 LEU B 166 86.331 6.886 0.653 1.00 0.00 C ATOM 0 H LEU B 166 85.024 7.018 4.394 1.00 0.00 H new ATOM 0 HA LEU B 166 87.496 8.448 4.180 1.00 0.00 H new ATOM 0 HB2 LEU B 166 84.976 7.862 2.649 1.00 0.00 H new ATOM 0 HB3 LEU B 166 85.827 9.299 2.118 1.00 0.00 H new ATOM 0 HG LEU B 166 87.833 8.081 1.631 1.00 0.00 H new ATOM 0 HD11 LEU B 166 88.150 5.719 2.316 1.00 0.00 H new ATOM 0 HD12 LEU B 166 87.880 6.764 3.731 1.00 0.00 H new ATOM 0 HD13 LEU B 166 86.561 5.738 3.117 1.00 0.00 H new ATOM 0 HD21 LEU B 166 87.058 6.263 0.133 1.00 0.00 H new ATOM 0 HD22 LEU B 166 85.469 6.281 0.933 1.00 0.00 H new ATOM 0 HD23 LEU B 166 86.010 7.694 -0.004 1.00 0.00 H new