USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=22 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 165:sc= -0.338 USER MOD Set 1.2: B 143 CYS SG : rot 86:sc= 0.0164 USER MOD Set 1.3: B 155 HIS :FLIP no HD1:sc= -0.586 F(o=-4,f=-1.7) USER MOD Set 1.4: B 161 HIS : no HD1:sc= -0.776 K(o=-1.7,f=-3.5!) USER MOD Set 2.1: B 129 CYS SG : rot 180:sc= 0.0286 USER MOD Set 2.2: B 132 CYS SG : rot -130:sc= 1.15 USER MOD Set 2.3: B 148 CYS SG : rot -142:sc= 1.37 USER MOD Set 2.4: B 151 CYS SG : rot 96:sc= 0.287 USER MOD Set 3.1: A 140 CYS SG : rot 180:sc= -0.418 USER MOD Set 3.2: A 143 CYS SG : rot 72:sc= 1.18 USER MOD Set 3.3: A 155 HIS : no HE2:sc= -1.25 K(o=-1.6,f=-4.9!) USER MOD Set 3.4: A 161 HIS : no HE2:sc= -1.11 K(o=-1.6,f=-12!) USER MOD Set 4.1: A 129 CYS SG : rot -158:sc= -0.771 USER MOD Set 4.2: A 132 CYS SG : rot -140:sc= 0.429 USER MOD Set 4.3: A 148 CYS SG : rot -138:sc= 0.107 USER MOD Set 4.4: A 151 CYS SG : rot 93:sc= 0.92 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot -74:sc= 0.363 USER MOD Single : A 145 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 150 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0681) USER MOD Single : A 156 GLN : amide:sc= -0.0255 X(o=-0.026,f=0) 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 -78:sc= 0.264 USER MOD Single : B 145 GLN : amide:sc= -1.4 K(o=-1.4,f=-2!) USER MOD Single : B 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 156 GLN :FLIP amide:sc= -0.839 F(o=-1.8!,f=-0.84) USER MOD Single : B 160 LYS NZ :NH3+ 146:sc= 0 (180deg=-0.0754) USER MOD ----------------------------------------------------------------- ATOM 136 N ALA A 127 75.644 0.231 -10.254 1.00 0.00 N ATOM 137 CA ALA A 127 75.740 -0.404 -8.908 1.00 0.00 C ATOM 138 C ALA A 127 76.368 0.569 -7.905 1.00 0.00 C ATOM 139 O ALA A 127 77.515 0.431 -7.530 1.00 0.00 O ATOM 140 CB ALA A 127 76.642 -1.622 -9.108 1.00 0.00 C ATOM 0 HA ALA A 127 74.763 -0.680 -8.512 1.00 0.00 H new ATOM 0 HB1 ALA A 127 76.763 -2.145 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 127 76.190 -2.294 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 127 77.618 -1.297 -9.469 1.00 0.00 H new ATOM 146 N VAL A 128 75.625 1.549 -7.467 1.00 0.00 N ATOM 147 CA VAL A 128 76.185 2.522 -6.487 1.00 0.00 C ATOM 148 C VAL A 128 75.071 3.106 -5.617 1.00 0.00 C ATOM 149 O VAL A 128 73.907 3.059 -5.963 1.00 0.00 O ATOM 150 CB VAL A 128 76.837 3.618 -7.326 1.00 0.00 C ATOM 151 CG1 VAL A 128 78.140 3.090 -7.924 1.00 0.00 C ATOM 152 CG2 VAL A 128 75.890 4.042 -8.450 1.00 0.00 C ATOM 0 H VAL A 128 74.658 1.717 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 128 76.900 2.050 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 128 77.049 4.480 -6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 128 78.608 3.871 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 128 78.816 2.795 -7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 128 77.927 2.227 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 128 76.360 4.824 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 128 75.672 3.184 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 128 74.962 4.421 -8.021 1.00 0.00 H new ATOM 162 N CYS A 129 75.423 3.652 -4.488 1.00 0.00 N ATOM 163 CA CYS A 129 74.393 4.240 -3.582 1.00 0.00 C ATOM 164 C CYS A 129 73.449 5.151 -4.364 1.00 0.00 C ATOM 165 O CYS A 129 73.812 5.721 -5.374 1.00 0.00 O ATOM 166 CB CYS A 129 75.184 5.048 -2.554 1.00 0.00 C ATOM 167 SG CYS A 129 74.125 5.416 -1.132 1.00 0.00 S ATOM 0 H CYS A 129 76.383 3.718 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 129 73.775 3.474 -3.114 1.00 0.00 H new ATOM 0 HB2 CYS A 129 76.062 4.487 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 129 75.544 5.974 -3.002 1.00 0.00 H new ATOM 0 HG CYS A 129 74.591 6.453 -0.501 1.00 0.00 H new ATOM 172 N THR A 130 72.238 5.294 -3.902 1.00 0.00 N ATOM 173 CA THR A 130 71.269 6.170 -4.616 1.00 0.00 C ATOM 174 C THR A 130 71.520 7.634 -4.247 1.00 0.00 C ATOM 175 O THR A 130 71.175 8.538 -4.981 1.00 0.00 O ATOM 176 CB THR A 130 69.892 5.717 -4.131 1.00 0.00 C ATOM 177 OG1 THR A 130 69.577 4.459 -4.712 1.00 0.00 O ATOM 178 CG2 THR A 130 68.839 6.747 -4.541 1.00 0.00 C ATOM 0 H THR A 130 71.878 4.842 -3.061 1.00 0.00 H new ATOM 0 HA THR A 130 71.359 6.095 -5.700 1.00 0.00 H new ATOM 0 HB THR A 130 69.902 5.624 -3.045 1.00 0.00 H new ATOM 0 HG1 THR A 130 68.695 4.166 -4.401 1.00 0.00 H new ATOM 0 HG21 THR A 130 67.858 6.422 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 130 69.081 7.712 -4.095 1.00 0.00 H new ATOM 0 HG23 THR A 130 68.827 6.842 -5.627 1.00 0.00 H new ATOM 186 N ARG A 131 72.121 7.873 -3.113 1.00 0.00 N ATOM 187 CA ARG A 131 72.399 9.278 -2.697 1.00 0.00 C ATOM 188 C ARG A 131 73.849 9.643 -3.028 1.00 0.00 C ATOM 189 O ARG A 131 74.119 10.648 -3.654 1.00 0.00 O ATOM 190 CB ARG A 131 72.170 9.298 -1.186 1.00 0.00 C ATOM 191 CG ARG A 131 70.773 9.846 -0.890 1.00 0.00 C ATOM 192 CD ARG A 131 69.814 8.683 -0.630 1.00 0.00 C ATOM 193 NE ARG A 131 69.152 9.017 0.663 1.00 0.00 N ATOM 194 CZ ARG A 131 68.970 8.087 1.561 1.00 0.00 C ATOM 195 NH1 ARG A 131 68.135 7.112 1.330 1.00 0.00 N ATOM 196 NH2 ARG A 131 69.624 8.133 2.688 1.00 0.00 N1+ ATOM 0 H ARG A 131 72.431 7.157 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 131 71.763 9.998 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 131 72.272 8.292 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 131 72.925 9.916 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 131 70.806 10.505 -0.023 1.00 0.00 H new ATOM 0 HG3 ARG A 131 70.419 10.442 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 131 69.085 8.584 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 131 70.349 7.735 -0.567 1.00 0.00 H new ATOM 0 HE ARG A 131 68.841 9.971 0.846 1.00 0.00 H new ATOM 0 HH11 ARG A 131 67.624 7.076 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 131 67.993 6.385 2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 131 70.277 8.895 2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 131 69.482 7.407 3.390 1.00 0.00 H new ATOM 210 N CYS A 132 74.784 8.830 -2.615 1.00 0.00 N ATOM 211 CA CYS A 132 76.215 9.128 -2.912 1.00 0.00 C ATOM 212 C CYS A 132 76.516 8.827 -4.382 1.00 0.00 C ATOM 213 O CYS A 132 77.418 9.387 -4.967 1.00 0.00 O ATOM 214 CB CYS A 132 77.014 8.197 -1.999 1.00 0.00 C ATOM 215 SG CYS A 132 76.424 8.368 -0.297 1.00 0.00 S ATOM 0 H CYS A 132 74.619 7.974 -2.086 1.00 0.00 H new ATOM 0 HA CYS A 132 76.465 10.175 -2.741 1.00 0.00 H new ATOM 0 HB2 CYS A 132 76.906 7.164 -2.331 1.00 0.00 H new ATOM 0 HB3 CYS A 132 78.075 8.440 -2.053 1.00 0.00 H new ATOM 0 HG CYS A 132 77.437 8.342 0.518 1.00 0.00 H new ATOM 220 N LYS A 133 75.757 7.946 -4.976 1.00 0.00 N ATOM 221 CA LYS A 133 75.979 7.597 -6.411 1.00 0.00 C ATOM 222 C LYS A 133 77.315 6.862 -6.595 1.00 0.00 C ATOM 223 O LYS A 133 77.779 6.670 -7.700 1.00 0.00 O ATOM 224 CB LYS A 133 75.936 8.948 -7.157 1.00 0.00 C ATOM 225 CG LYS A 133 77.331 9.397 -7.629 1.00 0.00 C ATOM 226 CD LYS A 133 77.557 8.939 -9.072 1.00 0.00 C ATOM 227 CE LYS A 133 79.055 8.734 -9.313 1.00 0.00 C ATOM 228 NZ LYS A 133 79.215 8.795 -10.793 1.00 0.00 N1+ ATOM 0 H LYS A 133 74.988 7.449 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 133 75.226 6.912 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 133 75.273 8.865 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 133 75.514 9.710 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 133 77.416 10.482 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 133 78.099 8.977 -6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 133 77.017 8.011 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 133 77.164 9.682 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 133 79.644 9.507 -8.819 1.00 0.00 H new ATOM 0 HE3 LYS A 133 79.392 7.775 -8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 80.217 8.663 -11.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 78.648 8.044 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 78.893 9.721 -11.139 1.00 0.00 H new ATOM 242 N GLU A 134 77.934 6.439 -5.524 1.00 0.00 N ATOM 243 CA GLU A 134 79.230 5.712 -5.659 1.00 0.00 C ATOM 244 C GLU A 134 79.700 5.188 -4.299 1.00 0.00 C ATOM 245 O GLU A 134 79.093 5.442 -3.279 1.00 0.00 O ATOM 246 CB GLU A 134 80.213 6.753 -6.194 1.00 0.00 C ATOM 247 CG GLU A 134 80.400 7.858 -5.154 1.00 0.00 C ATOM 248 CD GLU A 134 81.260 8.976 -5.746 1.00 0.00 C ATOM 249 OE1 GLU A 134 81.216 9.154 -6.952 1.00 0.00 O ATOM 250 OE2 GLU A 134 81.947 9.635 -4.983 1.00 0.00 O1- ATOM 0 H GLU A 134 77.601 6.564 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 134 79.145 4.847 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 134 81.171 6.283 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 134 79.840 7.176 -7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 134 79.431 8.253 -4.849 1.00 0.00 H new ATOM 0 HG3 GLU A 134 80.875 7.454 -4.260 1.00 0.00 H new ATOM 257 N SER A 135 80.785 4.461 -4.283 1.00 0.00 N ATOM 258 CA SER A 135 81.312 3.920 -2.996 1.00 0.00 C ATOM 259 C SER A 135 80.288 2.986 -2.342 1.00 0.00 C ATOM 260 O SER A 135 80.131 2.970 -1.136 1.00 0.00 O ATOM 261 CB SER A 135 81.556 5.151 -2.122 1.00 0.00 C ATOM 262 OG SER A 135 80.441 5.360 -1.267 1.00 0.00 O ATOM 0 H SER A 135 81.331 4.217 -5.109 1.00 0.00 H new ATOM 0 HA SER A 135 82.219 3.333 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 135 82.460 5.015 -1.529 1.00 0.00 H new ATOM 0 HB3 SER A 135 81.715 6.028 -2.749 1.00 0.00 H new ATOM 0 HG SER A 135 79.690 5.713 -1.789 1.00 0.00 H new ATOM 268 N ALA A 136 79.590 2.206 -3.120 1.00 0.00 N ATOM 269 CA ALA A 136 78.584 1.278 -2.526 1.00 0.00 C ATOM 270 C ALA A 136 78.619 -0.079 -3.233 1.00 0.00 C ATOM 271 O ALA A 136 78.777 -0.164 -4.435 1.00 0.00 O ATOM 272 CB ALA A 136 77.235 1.962 -2.745 1.00 0.00 C ATOM 0 H ALA A 136 79.671 2.170 -4.136 1.00 0.00 H new ATOM 0 HA ALA A 136 78.779 1.086 -1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 136 76.440 1.339 -2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 136 77.233 2.930 -2.245 1.00 0.00 H new ATOM 0 HB3 ALA A 136 77.069 2.105 -3.813 1.00 0.00 H new ATOM 278 N ASP A 137 78.465 -1.142 -2.491 1.00 0.00 N ATOM 279 CA ASP A 137 78.481 -2.499 -3.109 1.00 0.00 C ATOM 280 C ASP A 137 77.347 -3.349 -2.530 1.00 0.00 C ATOM 281 O ASP A 137 77.396 -4.563 -2.542 1.00 0.00 O ATOM 282 CB ASP A 137 79.841 -3.090 -2.736 1.00 0.00 C ATOM 283 CG ASP A 137 80.244 -4.137 -3.776 1.00 0.00 C ATOM 284 OD1 ASP A 137 79.556 -4.244 -4.778 1.00 0.00 O ATOM 285 OD2 ASP A 137 81.234 -4.816 -3.553 1.00 0.00 O1- ATOM 0 H ASP A 137 78.328 -1.129 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 137 78.337 -2.466 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 137 80.592 -2.301 -2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 137 79.793 -3.544 -1.746 1.00 0.00 H new ATOM 290 N PHE A 138 76.326 -2.716 -2.020 1.00 0.00 N ATOM 291 CA PHE A 138 75.185 -3.479 -1.435 1.00 0.00 C ATOM 292 C PHE A 138 73.878 -2.705 -1.636 1.00 0.00 C ATOM 293 O PHE A 138 73.852 -1.492 -1.586 1.00 0.00 O ATOM 294 CB PHE A 138 75.510 -3.596 0.054 1.00 0.00 C ATOM 295 CG PHE A 138 76.267 -4.877 0.311 1.00 0.00 C ATOM 296 CD1 PHE A 138 77.665 -4.889 0.242 1.00 0.00 C ATOM 297 CD2 PHE A 138 75.572 -6.051 0.624 1.00 0.00 C ATOM 298 CE1 PHE A 138 78.369 -6.075 0.484 1.00 0.00 C ATOM 299 CE2 PHE A 138 76.275 -7.238 0.867 1.00 0.00 C ATOM 300 CZ PHE A 138 77.673 -7.249 0.797 1.00 0.00 C ATOM 0 H PHE A 138 76.232 -1.701 -1.983 1.00 0.00 H new ATOM 0 HA PHE A 138 75.056 -4.455 -1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 138 76.105 -2.740 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 138 74.590 -3.582 0.639 1.00 0.00 H new ATOM 0 HD1 PHE A 138 78.201 -3.983 0.002 1.00 0.00 H new ATOM 0 HD2 PHE A 138 74.493 -6.042 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 138 79.448 -6.084 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 138 75.739 -8.144 1.108 1.00 0.00 H new ATOM 0 HZ PHE A 138 78.215 -8.164 0.985 1.00 0.00 H new ATOM 310 N TRP A 139 72.797 -3.398 -1.862 1.00 0.00 N ATOM 311 CA TRP A 139 71.494 -2.700 -2.063 1.00 0.00 C ATOM 312 C TRP A 139 70.401 -3.383 -1.236 1.00 0.00 C ATOM 313 O TRP A 139 70.414 -4.582 -1.042 1.00 0.00 O ATOM 314 CB TRP A 139 71.204 -2.826 -3.559 1.00 0.00 C ATOM 315 CG TRP A 139 70.156 -3.869 -3.785 1.00 0.00 C ATOM 316 CD1 TRP A 139 68.823 -3.666 -3.675 1.00 0.00 C ATOM 317 CD2 TRP A 139 70.329 -5.266 -4.160 1.00 0.00 C ATOM 318 NE1 TRP A 139 68.168 -4.851 -3.957 1.00 0.00 N ATOM 319 CE2 TRP A 139 69.052 -5.866 -4.262 1.00 0.00 C ATOM 320 CE3 TRP A 139 71.460 -6.062 -4.419 1.00 0.00 C ATOM 321 CZ2 TRP A 139 68.901 -7.209 -4.608 1.00 0.00 C ATOM 322 CZ3 TRP A 139 71.311 -7.415 -4.769 1.00 0.00 C ATOM 323 CH2 TRP A 139 70.034 -7.987 -4.863 1.00 0.00 C ATOM 0 H TRP A 139 72.758 -4.416 -1.916 1.00 0.00 H new ATOM 0 HA TRP A 139 71.525 -1.658 -1.745 1.00 0.00 H new ATOM 0 HB2 TRP A 139 70.868 -1.868 -3.956 1.00 0.00 H new ATOM 0 HB3 TRP A 139 72.116 -3.091 -4.095 1.00 0.00 H new ATOM 0 HD1 TRP A 139 68.349 -2.733 -3.411 1.00 0.00 H new ATOM 0 HE1 TRP A 139 67.154 -4.961 -3.941 1.00 0.00 H new ATOM 0 HE3 TRP A 139 72.448 -5.631 -4.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 67.915 -7.645 -4.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 72.185 -8.018 -4.967 1.00 0.00 H new ATOM 0 HH2 TRP A 139 69.926 -9.027 -5.132 1.00 0.00 H new ATOM 334 N CYS A 140 69.457 -2.627 -0.743 1.00 0.00 N ATOM 335 CA CYS A 140 68.367 -3.234 0.074 1.00 0.00 C ATOM 336 C CYS A 140 67.317 -3.883 -0.833 1.00 0.00 C ATOM 337 O CYS A 140 66.910 -3.319 -1.829 1.00 0.00 O ATOM 338 CB CYS A 140 67.756 -2.066 0.849 1.00 0.00 C ATOM 339 SG CYS A 140 68.714 -1.777 2.358 1.00 0.00 S ATOM 0 H CYS A 140 69.394 -1.617 -0.870 1.00 0.00 H new ATOM 0 HA CYS A 140 68.738 -4.016 0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 140 67.751 -1.168 0.231 1.00 0.00 H new ATOM 0 HB3 CYS A 140 66.718 -2.285 1.100 1.00 0.00 H new ATOM 0 HG CYS A 140 68.196 -0.783 3.017 1.00 0.00 H new ATOM 344 N PHE A 141 66.874 -5.062 -0.491 1.00 0.00 N ATOM 345 CA PHE A 141 65.848 -5.747 -1.331 1.00 0.00 C ATOM 346 C PHE A 141 64.455 -5.201 -1.009 1.00 0.00 C ATOM 347 O PHE A 141 63.640 -4.997 -1.887 1.00 0.00 O ATOM 348 CB PHE A 141 65.947 -7.225 -0.949 1.00 0.00 C ATOM 349 CG PHE A 141 64.563 -7.827 -0.908 1.00 0.00 C ATOM 350 CD1 PHE A 141 63.938 -8.230 -2.094 1.00 0.00 C ATOM 351 CD2 PHE A 141 63.906 -7.984 0.317 1.00 0.00 C ATOM 352 CE1 PHE A 141 62.655 -8.789 -2.055 1.00 0.00 C ATOM 353 CE2 PHE A 141 62.622 -8.543 0.357 1.00 0.00 C ATOM 354 CZ PHE A 141 61.997 -8.946 -0.830 1.00 0.00 C ATOM 0 H PHE A 141 67.177 -5.581 0.333 1.00 0.00 H new ATOM 0 HA PHE A 141 66.013 -5.590 -2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 141 66.566 -7.758 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 141 66.430 -7.329 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 141 64.446 -8.110 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 141 64.389 -7.674 1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 141 62.173 -9.099 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 141 62.114 -8.663 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 141 61.008 -9.378 -0.800 1.00 0.00 H new ATOM 364 N GLU A 142 64.177 -4.959 0.244 1.00 0.00 N ATOM 365 CA GLU A 142 62.838 -4.421 0.618 1.00 0.00 C ATOM 366 C GLU A 142 62.751 -2.936 0.253 1.00 0.00 C ATOM 367 O GLU A 142 61.820 -2.499 -0.392 1.00 0.00 O ATOM 368 CB GLU A 142 62.745 -4.608 2.134 1.00 0.00 C ATOM 369 CG GLU A 142 61.769 -5.745 2.449 1.00 0.00 C ATOM 370 CD GLU A 142 61.917 -6.152 3.916 1.00 0.00 C ATOM 371 OE1 GLU A 142 62.833 -6.901 4.213 1.00 0.00 O ATOM 372 OE2 GLU A 142 61.111 -5.710 4.717 1.00 0.00 O1- ATOM 0 H GLU A 142 64.818 -5.110 1.023 1.00 0.00 H new ATOM 0 HA GLU A 142 62.026 -4.927 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 142 63.729 -4.835 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 142 62.408 -3.684 2.605 1.00 0.00 H new ATOM 0 HG2 GLU A 142 60.746 -5.426 2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 142 61.968 -6.599 1.802 1.00 0.00 H new ATOM 379 N CYS A 143 63.719 -2.161 0.659 1.00 0.00 N ATOM 380 CA CYS A 143 63.695 -0.706 0.334 1.00 0.00 C ATOM 381 C CYS A 143 63.962 -0.496 -1.159 1.00 0.00 C ATOM 382 O CYS A 143 63.615 0.522 -1.724 1.00 0.00 O ATOM 383 CB CYS A 143 64.822 -0.098 1.169 1.00 0.00 C ATOM 384 SG CYS A 143 64.444 -0.291 2.928 1.00 0.00 S ATOM 0 H CYS A 143 64.525 -2.472 1.201 1.00 0.00 H new ATOM 0 HA CYS A 143 62.731 -0.248 0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 143 65.767 -0.587 0.934 1.00 0.00 H new ATOM 0 HB3 CYS A 143 64.940 0.958 0.926 1.00 0.00 H new ATOM 0 HG CYS A 143 64.581 -1.538 3.267 1.00 0.00 H new ATOM 389 N GLU A 144 64.577 -1.451 -1.802 1.00 0.00 N ATOM 390 CA GLU A 144 64.866 -1.305 -3.258 1.00 0.00 C ATOM 391 C GLU A 144 65.729 -0.065 -3.504 1.00 0.00 C ATOM 392 O GLU A 144 65.489 0.698 -4.419 1.00 0.00 O ATOM 393 CB GLU A 144 63.498 -1.145 -3.921 1.00 0.00 C ATOM 394 CG GLU A 144 62.514 -2.145 -3.309 1.00 0.00 C ATOM 395 CD GLU A 144 61.727 -2.833 -4.425 1.00 0.00 C ATOM 396 OE1 GLU A 144 61.174 -2.130 -5.255 1.00 0.00 O1- ATOM 397 OE2 GLU A 144 61.690 -4.053 -4.433 1.00 0.00 O ATOM 0 H GLU A 144 64.892 -2.326 -1.383 1.00 0.00 H new ATOM 0 HA GLU A 144 65.414 -2.158 -3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 144 63.132 -0.128 -3.783 1.00 0.00 H new ATOM 0 HB3 GLU A 144 63.581 -1.311 -4.995 1.00 0.00 H new ATOM 0 HG2 GLU A 144 63.052 -2.886 -2.719 1.00 0.00 H new ATOM 0 HG3 GLU A 144 61.832 -1.632 -2.631 1.00 0.00 H new ATOM 404 N GLN A 145 66.730 0.143 -2.694 1.00 0.00 N ATOM 405 CA GLN A 145 67.607 1.335 -2.882 1.00 0.00 C ATOM 406 C GLN A 145 69.076 0.948 -2.690 1.00 0.00 C ATOM 407 O GLN A 145 69.389 -0.051 -2.074 1.00 0.00 O ATOM 408 CB GLN A 145 67.168 2.322 -1.801 1.00 0.00 C ATOM 409 CG GLN A 145 65.937 3.093 -2.280 1.00 0.00 C ATOM 410 CD GLN A 145 65.318 3.846 -1.100 1.00 0.00 C ATOM 411 OE1 GLN A 145 64.138 3.726 -0.838 1.00 0.00 O ATOM 412 NE2 GLN A 145 66.072 4.624 -0.371 1.00 0.00 N ATOM 0 H GLN A 145 66.979 -0.460 -1.910 1.00 0.00 H new ATOM 0 HA GLN A 145 67.519 1.759 -3.882 1.00 0.00 H new ATOM 0 HB2 GLN A 145 66.939 1.789 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 145 67.979 3.015 -1.576 1.00 0.00 H new ATOM 0 HG2 GLN A 145 66.217 3.794 -3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 145 65.208 2.406 -2.710 1.00 0.00 H new ATOM 0 HE21 GLN A 145 67.063 4.725 -0.590 1.00 0.00 H new ATOM 0 HE22 GLN A 145 65.670 5.130 0.418 1.00 0.00 H new ATOM 421 N LEU A 146 69.979 1.733 -3.211 1.00 0.00 N ATOM 422 CA LEU A 146 71.427 1.409 -3.057 1.00 0.00 C ATOM 423 C LEU A 146 71.989 2.094 -1.807 1.00 0.00 C ATOM 424 O LEU A 146 71.553 3.161 -1.424 1.00 0.00 O ATOM 425 CB LEU A 146 72.092 1.961 -4.319 1.00 0.00 C ATOM 426 CG LEU A 146 71.755 1.056 -5.507 1.00 0.00 C ATOM 427 CD1 LEU A 146 71.317 1.916 -6.694 1.00 0.00 C ATOM 428 CD2 LEU A 146 72.991 0.241 -5.895 1.00 0.00 C ATOM 0 H LEU A 146 69.778 2.584 -3.736 1.00 0.00 H new ATOM 0 HA LEU A 146 71.603 0.340 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 146 71.746 2.977 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 146 73.172 2.013 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 146 70.947 0.379 -5.231 1.00 0.00 H new ATOM 0 HD11 LEU A 146 71.077 1.273 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 146 70.436 2.496 -6.418 1.00 0.00 H new ATOM 0 HD13 LEU A 146 72.125 2.593 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 146 72.751 -0.403 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 146 73.800 0.917 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 146 73.303 -0.372 -5.049 1.00 0.00 H new ATOM 440 N LEU A 147 72.952 1.488 -1.166 1.00 0.00 N ATOM 441 CA LEU A 147 73.535 2.108 0.059 1.00 0.00 C ATOM 442 C LEU A 147 75.054 1.923 0.078 1.00 0.00 C ATOM 443 O LEU A 147 75.564 0.867 -0.239 1.00 0.00 O ATOM 444 CB LEU A 147 72.895 1.357 1.227 1.00 0.00 C ATOM 445 CG LEU A 147 71.401 1.681 1.283 1.00 0.00 C ATOM 446 CD1 LEU A 147 70.610 0.546 0.628 1.00 0.00 C ATOM 447 CD2 LEU A 147 70.965 1.832 2.742 1.00 0.00 C ATOM 0 H LEU A 147 73.359 0.593 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 147 73.344 3.180 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 147 73.041 0.284 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 147 73.375 1.641 2.163 1.00 0.00 H new ATOM 0 HG LEU A 147 71.210 2.613 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 147 69.545 0.775 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 147 70.920 0.439 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 147 70.801 -0.385 1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 147 69.900 2.063 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 147 71.155 0.901 3.277 1.00 0.00 H new ATOM 0 HD23 LEU A 147 71.529 2.640 3.209 1.00 0.00 H new ATOM 459 N CYS A 148 75.781 2.940 0.450 1.00 0.00 N ATOM 460 CA CYS A 148 77.265 2.816 0.493 1.00 0.00 C ATOM 461 C CYS A 148 77.704 2.244 1.844 1.00 0.00 C ATOM 462 O CYS A 148 76.922 2.135 2.767 1.00 0.00 O ATOM 463 CB CYS A 148 77.795 4.239 0.304 1.00 0.00 C ATOM 464 SG CYS A 148 77.250 5.282 1.678 1.00 0.00 S ATOM 0 H CYS A 148 75.412 3.850 0.726 1.00 0.00 H new ATOM 0 HA CYS A 148 77.647 2.143 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 148 78.884 4.228 0.253 1.00 0.00 H new ATOM 0 HB3 CYS A 148 77.436 4.648 -0.640 1.00 0.00 H new ATOM 0 HG CYS A 148 76.881 6.442 1.222 1.00 0.00 H new ATOM 469 N ALA A 149 78.949 1.870 1.964 1.00 0.00 N ATOM 470 CA ALA A 149 79.438 1.297 3.253 1.00 0.00 C ATOM 471 C ALA A 149 79.015 2.183 4.429 1.00 0.00 C ATOM 472 O ALA A 149 78.720 1.701 5.505 1.00 0.00 O ATOM 473 CB ALA A 149 80.961 1.270 3.123 1.00 0.00 C ATOM 0 H ALA A 149 79.650 1.936 1.226 1.00 0.00 H new ATOM 0 HA ALA A 149 79.026 0.306 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 149 81.397 0.860 4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 149 81.243 0.647 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 149 81.331 2.284 2.968 1.00 0.00 H new ATOM 479 N LYS A 150 78.986 3.473 4.237 1.00 0.00 N ATOM 480 CA LYS A 150 78.586 4.382 5.349 1.00 0.00 C ATOM 481 C LYS A 150 77.095 4.218 5.662 1.00 0.00 C ATOM 482 O LYS A 150 76.672 4.344 6.793 1.00 0.00 O ATOM 483 CB LYS A 150 78.871 5.792 4.832 1.00 0.00 C ATOM 484 CG LYS A 150 77.923 6.783 5.512 1.00 0.00 C ATOM 485 CD LYS A 150 78.592 8.156 5.594 1.00 0.00 C ATOM 486 CE LYS A 150 78.185 8.995 4.382 1.00 0.00 C ATOM 487 NZ LYS A 150 76.847 9.549 4.733 1.00 0.00 N1+ ATOM 0 H LYS A 150 79.222 3.937 3.360 1.00 0.00 H new ATOM 0 HA LYS A 150 79.128 4.167 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 150 79.907 6.064 5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 150 78.739 5.829 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 150 76.991 6.854 4.951 1.00 0.00 H new ATOM 0 HG3 LYS A 150 77.668 6.431 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 150 78.298 8.661 6.514 1.00 0.00 H new ATOM 0 HD3 LYS A 150 79.676 8.043 5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 150 78.905 9.791 4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 150 78.137 8.387 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 76.236 9.541 3.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 76.415 8.967 5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 76.954 10.526 5.074 1.00 0.00 H new ATOM 501 N CYS A 151 76.299 3.939 4.668 1.00 0.00 N ATOM 502 CA CYS A 151 74.837 3.769 4.911 1.00 0.00 C ATOM 503 C CYS A 151 74.532 2.318 5.290 1.00 0.00 C ATOM 504 O CYS A 151 73.782 2.050 6.208 1.00 0.00 O ATOM 505 CB CYS A 151 74.168 4.129 3.583 1.00 0.00 C ATOM 506 SG CYS A 151 74.291 5.914 3.311 1.00 0.00 S ATOM 0 H CYS A 151 76.596 3.821 3.699 1.00 0.00 H new ATOM 0 HA CYS A 151 74.478 4.394 5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 151 74.647 3.592 2.765 1.00 0.00 H new ATOM 0 HB3 CYS A 151 73.122 3.823 3.596 1.00 0.00 H new ATOM 0 HG CYS A 151 75.360 6.175 2.619 1.00 0.00 H new ATOM 511 N PHE A 152 75.108 1.380 4.591 1.00 0.00 N ATOM 512 CA PHE A 152 74.852 -0.053 4.915 1.00 0.00 C ATOM 513 C PHE A 152 75.239 -0.337 6.368 1.00 0.00 C ATOM 514 O PHE A 152 74.515 -0.985 7.099 1.00 0.00 O ATOM 515 CB PHE A 152 75.744 -0.839 3.952 1.00 0.00 C ATOM 516 CG PHE A 152 75.645 -2.314 4.261 1.00 0.00 C ATOM 517 CD1 PHE A 152 74.399 -2.891 4.531 1.00 0.00 C ATOM 518 CD2 PHE A 152 76.801 -3.104 4.278 1.00 0.00 C ATOM 519 CE1 PHE A 152 74.308 -4.259 4.819 1.00 0.00 C ATOM 520 CE2 PHE A 152 76.711 -4.471 4.564 1.00 0.00 C ATOM 521 CZ PHE A 152 75.464 -5.049 4.835 1.00 0.00 C ATOM 0 H PHE A 152 75.744 1.542 3.810 1.00 0.00 H new ATOM 0 HA PHE A 152 73.802 -0.326 4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 152 75.439 -0.651 2.922 1.00 0.00 H new ATOM 0 HB3 PHE A 152 76.778 -0.506 4.044 1.00 0.00 H new ATOM 0 HD1 PHE A 152 73.507 -2.282 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 152 77.763 -2.658 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 152 73.347 -4.704 5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 152 77.603 -5.080 4.576 1.00 0.00 H new ATOM 0 HZ PHE A 152 75.394 -6.104 5.056 1.00 0.00 H new ATOM 531 N GLU A 153 76.374 0.147 6.795 1.00 0.00 N ATOM 532 CA GLU A 153 76.804 -0.089 8.203 1.00 0.00 C ATOM 533 C GLU A 153 75.850 0.621 9.166 1.00 0.00 C ATOM 534 O GLU A 153 75.483 0.091 10.196 1.00 0.00 O ATOM 535 CB GLU A 153 78.208 0.512 8.296 1.00 0.00 C ATOM 536 CG GLU A 153 78.526 0.840 9.756 1.00 0.00 C ATOM 537 CD GLU A 153 80.038 1.007 9.923 1.00 0.00 C ATOM 538 OE1 GLU A 153 80.769 0.354 9.197 1.00 0.00 O ATOM 539 OE2 GLU A 153 80.438 1.783 10.774 1.00 0.00 O1- ATOM 0 H GLU A 153 77.022 0.696 6.230 1.00 0.00 H new ATOM 0 HA GLU A 153 76.798 -1.146 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 153 78.943 -0.190 7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 153 78.270 1.414 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 153 78.013 1.754 10.055 1.00 0.00 H new ATOM 0 HG3 GLU A 153 78.163 0.044 10.406 1.00 0.00 H new ATOM 546 N ALA A 154 75.444 1.817 8.837 1.00 0.00 N ATOM 547 CA ALA A 154 74.510 2.560 9.732 1.00 0.00 C ATOM 548 C ALA A 154 73.113 1.937 9.665 1.00 0.00 C ATOM 549 O ALA A 154 72.365 1.961 10.623 1.00 0.00 O ATOM 550 CB ALA A 154 74.489 3.988 9.189 1.00 0.00 C ATOM 0 H ALA A 154 75.718 2.312 7.988 1.00 0.00 H new ATOM 0 HA ALA A 154 74.823 2.529 10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 154 73.821 4.599 9.797 1.00 0.00 H new ATOM 0 HB2 ALA A 154 75.495 4.405 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 154 74.135 3.980 8.158 1.00 0.00 H new ATOM 556 N HIS A 155 72.756 1.378 8.541 1.00 0.00 N ATOM 557 CA HIS A 155 71.408 0.754 8.415 1.00 0.00 C ATOM 558 C HIS A 155 71.306 -0.468 9.333 1.00 0.00 C ATOM 559 O HIS A 155 70.444 -0.544 10.186 1.00 0.00 O ATOM 560 CB HIS A 155 71.300 0.334 6.949 1.00 0.00 C ATOM 561 CG HIS A 155 69.852 0.136 6.590 1.00 0.00 C ATOM 562 ND1 HIS A 155 68.889 1.100 6.846 1.00 0.00 N ATOM 563 CD2 HIS A 155 69.189 -0.910 5.999 1.00 0.00 C ATOM 564 CE1 HIS A 155 67.710 0.617 6.412 1.00 0.00 C ATOM 565 NE2 HIS A 155 67.836 -0.604 5.886 1.00 0.00 N ATOM 0 H HIS A 155 73.339 1.326 7.705 1.00 0.00 H new ATOM 0 HA HIS A 155 70.608 1.436 8.702 1.00 0.00 H new ATOM 0 HB2 HIS A 155 71.744 1.095 6.308 1.00 0.00 H new ATOM 0 HB3 HIS A 155 71.857 -0.588 6.782 1.00 0.00 H new ATOM 0 HD1 HIS A 155 69.045 2.008 7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 155 69.648 -1.831 5.671 1.00 0.00 H new ATOM 0 HE1 HIS A 155 66.775 1.152 6.481 1.00 0.00 H new ATOM 573 N GLN A 156 72.179 -1.424 9.164 1.00 0.00 N ATOM 574 CA GLN A 156 72.130 -2.636 10.030 1.00 0.00 C ATOM 575 C GLN A 156 72.170 -2.230 11.506 1.00 0.00 C ATOM 576 O GLN A 156 71.674 -2.930 12.367 1.00 0.00 O ATOM 577 CB GLN A 156 73.377 -3.440 9.661 1.00 0.00 C ATOM 578 CG GLN A 156 73.236 -4.869 10.189 1.00 0.00 C ATOM 579 CD GLN A 156 73.172 -5.844 9.011 1.00 0.00 C ATOM 580 OE1 GLN A 156 73.919 -6.801 8.958 1.00 0.00 O ATOM 581 NE2 GLN A 156 72.304 -5.641 8.058 1.00 0.00 N ATOM 0 H GLN A 156 72.922 -1.418 8.465 1.00 0.00 H new ATOM 0 HA GLN A 156 71.217 -3.213 9.882 1.00 0.00 H new ATOM 0 HB2 GLN A 156 73.508 -3.452 8.579 1.00 0.00 H new ATOM 0 HB3 GLN A 156 74.265 -2.970 10.085 1.00 0.00 H new ATOM 0 HG2 GLN A 156 74.080 -5.115 10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 156 72.335 -4.956 10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 156 71.677 -4.838 8.102 1.00 0.00 H new ATOM 0 HE22 GLN A 156 72.253 -6.285 7.269 1.00 0.00 H new ATOM 590 N TRP A 157 72.757 -1.104 11.804 1.00 0.00 N ATOM 591 CA TRP A 157 72.829 -0.652 13.223 1.00 0.00 C ATOM 592 C TRP A 157 71.538 0.073 13.613 1.00 0.00 C ATOM 593 O TRP A 157 71.140 0.081 14.761 1.00 0.00 O ATOM 594 CB TRP A 157 74.018 0.310 13.272 1.00 0.00 C ATOM 595 CG TRP A 157 74.992 -0.142 14.313 1.00 0.00 C ATOM 596 CD1 TRP A 157 74.663 -0.743 15.480 1.00 0.00 C ATOM 597 CD2 TRP A 157 76.446 -0.037 14.303 1.00 0.00 C ATOM 598 NE1 TRP A 157 75.822 -1.015 16.185 1.00 0.00 N ATOM 599 CE2 TRP A 157 76.946 -0.598 15.501 1.00 0.00 C ATOM 600 CE3 TRP A 157 77.367 0.485 13.379 1.00 0.00 C ATOM 601 CZ2 TRP A 157 78.314 -0.640 15.773 1.00 0.00 C ATOM 602 CZ3 TRP A 157 78.745 0.446 13.649 1.00 0.00 C ATOM 603 CH2 TRP A 157 79.217 -0.117 14.843 1.00 0.00 C ATOM 0 H TRP A 157 73.190 -0.477 11.126 1.00 0.00 H new ATOM 0 HA TRP A 157 72.948 -1.485 13.916 1.00 0.00 H new ATOM 0 HB2 TRP A 157 74.505 0.350 12.298 1.00 0.00 H new ATOM 0 HB3 TRP A 157 73.672 1.319 13.498 1.00 0.00 H new ATOM 0 HD1 TRP A 157 73.660 -0.973 15.807 1.00 0.00 H new ATOM 0 HE1 TRP A 157 75.843 -1.468 17.099 1.00 0.00 H new ATOM 0 HE3 TRP A 157 77.013 0.919 12.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 157 78.672 -1.073 16.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 157 79.444 0.852 12.933 1.00 0.00 H new ATOM 0 HH2 TRP A 157 80.278 -0.147 15.044 1.00 0.00 H new ATOM 614 N PHE A 158 70.880 0.686 12.665 1.00 0.00 N ATOM 615 CA PHE A 158 69.617 1.412 12.982 1.00 0.00 C ATOM 616 C PHE A 158 68.459 0.422 13.137 1.00 0.00 C ATOM 617 O PHE A 158 67.600 0.585 13.981 1.00 0.00 O ATOM 618 CB PHE A 158 69.382 2.336 11.787 1.00 0.00 C ATOM 619 CG PHE A 158 69.744 3.752 12.165 1.00 0.00 C ATOM 620 CD1 PHE A 158 69.081 4.386 13.222 1.00 0.00 C ATOM 621 CD2 PHE A 158 70.743 4.433 11.457 1.00 0.00 C ATOM 622 CE1 PHE A 158 69.415 5.700 13.572 1.00 0.00 C ATOM 623 CE2 PHE A 158 71.079 5.745 11.808 1.00 0.00 C ATOM 624 CZ PHE A 158 70.415 6.379 12.866 1.00 0.00 C ATOM 0 H PHE A 158 71.163 0.715 11.685 1.00 0.00 H new ATOM 0 HA PHE A 158 69.683 1.966 13.918 1.00 0.00 H new ATOM 0 HB2 PHE A 158 69.983 2.010 10.938 1.00 0.00 H new ATOM 0 HB3 PHE A 158 68.338 2.287 11.476 1.00 0.00 H new ATOM 0 HD1 PHE A 158 68.311 3.861 13.768 1.00 0.00 H new ATOM 0 HD2 PHE A 158 71.254 3.945 10.640 1.00 0.00 H new ATOM 0 HE1 PHE A 158 68.901 6.189 14.386 1.00 0.00 H new ATOM 0 HE2 PHE A 158 71.850 6.269 11.263 1.00 0.00 H new ATOM 0 HZ PHE A 158 70.675 7.392 13.137 1.00 0.00 H new ATOM 634 N LEU A 159 68.427 -0.603 12.329 1.00 0.00 N ATOM 635 CA LEU A 159 67.322 -1.600 12.435 1.00 0.00 C ATOM 636 C LEU A 159 67.724 -2.915 11.760 1.00 0.00 C ATOM 637 O LEU A 159 68.818 -3.055 11.251 1.00 0.00 O ATOM 638 CB LEU A 159 66.128 -0.965 11.712 1.00 0.00 C ATOM 639 CG LEU A 159 66.613 -0.145 10.511 1.00 0.00 C ATOM 640 CD1 LEU A 159 67.381 -1.051 9.546 1.00 0.00 C ATOM 641 CD2 LEU A 159 65.405 0.456 9.789 1.00 0.00 C ATOM 0 H LEU A 159 69.116 -0.793 11.602 1.00 0.00 H new ATOM 0 HA LEU A 159 67.085 -1.836 13.472 1.00 0.00 H new ATOM 0 HB2 LEU A 159 65.441 -1.742 11.378 1.00 0.00 H new ATOM 0 HB3 LEU A 159 65.575 -0.325 12.400 1.00 0.00 H new ATOM 0 HG LEU A 159 67.269 0.653 10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 159 67.725 -0.466 8.693 1.00 0.00 H new ATOM 0 HD12 LEU A 159 68.240 -1.484 10.059 1.00 0.00 H new ATOM 0 HD13 LEU A 159 66.726 -1.850 9.198 1.00 0.00 H new ATOM 0 HD21 LEU A 159 65.746 1.040 8.934 1.00 0.00 H new ATOM 0 HD22 LEU A 159 64.752 -0.345 9.444 1.00 0.00 H new ATOM 0 HD23 LEU A 159 64.856 1.102 10.474 1.00 0.00 H new ATOM 653 N LYS A 160 66.844 -3.880 11.752 1.00 0.00 N ATOM 654 CA LYS A 160 67.174 -5.186 11.110 1.00 0.00 C ATOM 655 C LYS A 160 66.653 -5.211 9.671 1.00 0.00 C ATOM 656 O LYS A 160 65.462 -5.181 9.431 1.00 0.00 O ATOM 657 CB LYS A 160 66.456 -6.238 11.956 1.00 0.00 C ATOM 658 CG LYS A 160 67.059 -6.261 13.363 1.00 0.00 C ATOM 659 CD LYS A 160 67.858 -7.553 13.555 1.00 0.00 C ATOM 660 CE LYS A 160 67.504 -8.175 14.908 1.00 0.00 C ATOM 661 NZ LYS A 160 66.358 -9.085 14.623 1.00 0.00 N1+ ATOM 0 H LYS A 160 65.912 -3.821 12.162 1.00 0.00 H new ATOM 0 HA LYS A 160 68.248 -5.364 11.065 1.00 0.00 H new ATOM 0 HB2 LYS A 160 65.391 -6.012 12.009 1.00 0.00 H new ATOM 0 HB3 LYS A 160 66.551 -7.220 11.492 1.00 0.00 H new ATOM 0 HG2 LYS A 160 67.706 -5.396 13.507 1.00 0.00 H new ATOM 0 HG3 LYS A 160 66.268 -6.195 14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 160 67.635 -8.254 12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 160 68.927 -7.343 13.508 1.00 0.00 H new ATOM 0 HE2 LYS A 160 68.349 -8.723 15.324 1.00 0.00 H new ATOM 0 HE3 LYS A 160 67.230 -7.410 15.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 66.057 -9.550 15.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 65.566 -8.535 14.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 66.651 -9.806 13.933 1.00 0.00 H new ATOM 675 N HIS A 161 67.536 -5.264 8.714 1.00 0.00 N ATOM 676 CA HIS A 161 67.093 -5.290 7.291 1.00 0.00 C ATOM 677 C HIS A 161 67.910 -6.313 6.497 1.00 0.00 C ATOM 678 O HIS A 161 69.053 -6.586 6.809 1.00 0.00 O ATOM 679 CB HIS A 161 67.354 -3.877 6.771 1.00 0.00 C ATOM 680 CG HIS A 161 66.659 -3.692 5.450 1.00 0.00 C ATOM 681 ND1 HIS A 161 67.055 -4.365 4.305 1.00 0.00 N ATOM 682 CD2 HIS A 161 65.594 -2.911 5.076 1.00 0.00 C ATOM 683 CE1 HIS A 161 66.240 -3.981 3.306 1.00 0.00 C ATOM 684 NE2 HIS A 161 65.330 -3.096 3.722 1.00 0.00 N ATOM 0 H HIS A 161 68.546 -5.290 8.855 1.00 0.00 H new ATOM 0 HA HIS A 161 66.046 -5.576 7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 161 66.993 -3.141 7.490 1.00 0.00 H new ATOM 0 HB3 HIS A 161 68.425 -3.712 6.656 1.00 0.00 H new ATOM 0 HD1 HIS A 161 67.825 -5.031 4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 161 65.044 -2.253 5.733 1.00 0.00 H new ATOM 0 HE1 HIS A 161 66.313 -4.344 2.291 1.00 0.00 H new ATOM 692 N GLU A 162 67.333 -6.880 5.474 1.00 0.00 N ATOM 693 CA GLU A 162 68.076 -7.884 4.658 1.00 0.00 C ATOM 694 C GLU A 162 68.500 -7.265 3.323 1.00 0.00 C ATOM 695 O GLU A 162 67.692 -7.062 2.438 1.00 0.00 O ATOM 696 CB GLU A 162 67.081 -9.022 4.431 1.00 0.00 C ATOM 697 CG GLU A 162 67.841 -10.302 4.080 1.00 0.00 C ATOM 698 CD GLU A 162 67.079 -11.513 4.623 1.00 0.00 C ATOM 699 OE1 GLU A 162 65.915 -11.356 4.952 1.00 0.00 O1- ATOM 700 OE2 GLU A 162 67.673 -12.576 4.700 1.00 0.00 O ATOM 0 H GLU A 162 66.379 -6.692 5.167 1.00 0.00 H new ATOM 0 HA GLU A 162 68.984 -8.230 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 162 66.480 -9.178 5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 162 66.393 -8.763 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 162 67.955 -10.385 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 162 68.844 -10.270 4.505 1.00 0.00 H new ATOM 707 N ALA A 163 69.760 -6.959 3.171 1.00 0.00 N ATOM 708 CA ALA A 163 70.231 -6.350 1.893 1.00 0.00 C ATOM 709 C ALA A 163 71.095 -7.345 1.117 1.00 0.00 C ATOM 710 O ALA A 163 71.558 -8.333 1.652 1.00 0.00 O ATOM 711 CB ALA A 163 71.060 -5.137 2.315 1.00 0.00 C ATOM 0 H ALA A 163 70.483 -7.104 3.875 1.00 0.00 H new ATOM 0 HA ALA A 163 69.404 -6.073 1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 163 71.444 -4.632 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 163 70.434 -4.448 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 163 71.894 -5.464 2.936 1.00 0.00 H new ATOM 717 N ARG A 164 71.318 -7.091 -0.143 1.00 0.00 N ATOM 718 CA ARG A 164 72.155 -8.018 -0.956 1.00 0.00 C ATOM 719 C ARG A 164 73.313 -7.253 -1.601 1.00 0.00 C ATOM 720 O ARG A 164 73.210 -6.069 -1.856 1.00 0.00 O ATOM 721 CB ARG A 164 71.211 -8.566 -2.027 1.00 0.00 C ATOM 722 CG ARG A 164 70.294 -9.621 -1.406 1.00 0.00 C ATOM 723 CD ARG A 164 71.100 -10.890 -1.115 1.00 0.00 C ATOM 724 NE ARG A 164 70.268 -12.002 -1.652 1.00 0.00 N ATOM 725 CZ ARG A 164 70.802 -12.892 -2.444 1.00 0.00 C ATOM 726 NH1 ARG A 164 72.032 -13.283 -2.251 1.00 0.00 N ATOM 727 NH2 ARG A 164 70.106 -13.389 -3.430 1.00 0.00 N1+ ATOM 0 H ARG A 164 70.956 -6.280 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 164 72.595 -8.814 -0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 164 70.617 -7.757 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 164 71.785 -9.003 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 164 69.853 -9.238 -0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 164 69.471 -9.847 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 164 72.076 -10.858 -1.598 1.00 0.00 H new ATOM 0 HD3 ARG A 164 71.277 -11.009 -0.046 1.00 0.00 H new ATOM 0 HE ARG A 164 69.282 -12.068 -1.401 1.00 0.00 H new ATOM 0 HH11 ARG A 164 72.576 -12.893 -1.481 1.00 0.00 H new ATOM 0 HH12 ARG A 164 72.449 -13.978 -2.870 1.00 0.00 H new ATOM 0 HH21 ARG A 164 69.145 -13.082 -3.582 1.00 0.00 H new ATOM 0 HH22 ARG A 164 70.523 -14.084 -4.049 1.00 0.00 H new ATOM 741 N PRO A 165 74.382 -7.959 -1.840 1.00 0.00 N ATOM 742 CA PRO A 165 75.580 -7.342 -2.459 1.00 0.00 C ATOM 743 C PRO A 165 75.327 -7.054 -3.941 1.00 0.00 C ATOM 744 O PRO A 165 74.439 -7.620 -4.549 1.00 0.00 O ATOM 745 CB PRO A 165 76.659 -8.407 -2.290 1.00 0.00 C ATOM 746 CG PRO A 165 75.912 -9.700 -2.181 1.00 0.00 C ATOM 747 CD PRO A 165 74.576 -9.386 -1.558 1.00 0.00 C ATOM 0 HA PRO A 165 75.854 -6.389 -2.006 1.00 0.00 H new ATOM 0 HB2 PRO A 165 77.342 -8.416 -3.140 1.00 0.00 H new ATOM 0 HB3 PRO A 165 77.260 -8.222 -1.400 1.00 0.00 H new ATOM 0 HG2 PRO A 165 75.782 -10.154 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 165 76.464 -10.414 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 165 73.780 -9.991 -1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 165 74.578 -9.585 -0.486 1.00 0.00 H new ATOM 755 N LEU A 166 76.101 -6.184 -4.528 1.00 0.00 N ATOM 756 CA LEU A 166 75.906 -5.866 -5.972 1.00 0.00 C ATOM 757 C LEU A 166 76.757 -6.798 -6.842 1.00 0.00 C ATOM 758 O LEU A 166 77.019 -6.517 -7.995 1.00 0.00 O ATOM 759 CB LEU A 166 76.374 -4.418 -6.126 1.00 0.00 C ATOM 760 CG LEU A 166 75.422 -3.488 -5.372 1.00 0.00 C ATOM 761 CD1 LEU A 166 75.928 -2.049 -5.478 1.00 0.00 C ATOM 762 CD2 LEU A 166 74.024 -3.583 -5.986 1.00 0.00 C ATOM 0 H LEU A 166 76.860 -5.679 -4.071 1.00 0.00 H new ATOM 0 HA LEU A 166 74.870 -5.997 -6.285 1.00 0.00 H new ATOM 0 HB2 LEU A 166 77.387 -4.310 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 166 76.405 -4.146 -7.181 1.00 0.00 H new ATOM 0 HG LEU A 166 75.379 -3.783 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 166 75.251 -1.385 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 166 76.925 -1.981 -5.042 1.00 0.00 H new ATOM 0 HD13 LEU A 166 75.970 -1.754 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU A 166 73.345 -2.921 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 166 74.066 -3.287 -7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 166 73.663 -4.609 -5.913 1.00 0.00 H new ATOM 774 N ALA A 167 77.191 -7.903 -6.300 1.00 0.00 N ATOM 775 CA ALA A 167 78.025 -8.846 -7.097 1.00 0.00 C ATOM 776 C ALA A 167 77.251 -10.140 -7.367 1.00 0.00 C ATOM 777 O ALA A 167 76.111 -10.287 -6.973 1.00 0.00 O ATOM 778 CB ALA A 167 79.249 -9.125 -6.225 1.00 0.00 C ATOM 0 H ALA A 167 77.004 -8.193 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 167 78.301 -8.434 -8.068 1.00 0.00 H new ATOM 0 HB1 ALA A 167 79.915 -9.814 -6.743 1.00 0.00 H new ATOM 0 HB2 ALA A 167 79.775 -8.191 -6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 167 78.930 -9.569 -5.282 1.00 0.00 H new ATOM 936 N ALA B 127 89.640 7.706 -3.786 1.00 0.00 N ATOM 937 CA ALA B 127 89.032 7.169 -2.534 1.00 0.00 C ATOM 938 C ALA B 127 88.230 5.904 -2.845 1.00 0.00 C ATOM 939 O ALA B 127 87.041 5.836 -2.608 1.00 0.00 O ATOM 940 CB ALA B 127 88.110 8.280 -2.030 1.00 0.00 C ATOM 0 HA ALA B 127 89.782 6.898 -1.791 1.00 0.00 H new ATOM 0 HB1 ALA B 127 87.624 7.960 -1.108 1.00 0.00 H new ATOM 0 HB2 ALA B 127 88.695 9.179 -1.838 1.00 0.00 H new ATOM 0 HB3 ALA B 127 87.352 8.494 -2.784 1.00 0.00 H new ATOM 946 N VAL B 128 88.874 4.900 -3.376 1.00 0.00 N ATOM 947 CA VAL B 128 88.148 3.640 -3.704 1.00 0.00 C ATOM 948 C VAL B 128 88.999 2.421 -3.339 1.00 0.00 C ATOM 949 O VAL B 128 90.198 2.516 -3.169 1.00 0.00 O ATOM 950 CB VAL B 128 87.905 3.694 -5.209 1.00 0.00 C ATOM 951 CG1 VAL B 128 86.772 4.676 -5.505 1.00 0.00 C ATOM 952 CG2 VAL B 128 89.179 4.146 -5.924 1.00 0.00 C ATOM 0 H VAL B 128 89.870 4.898 -3.596 1.00 0.00 H new ATOM 0 HA VAL B 128 87.216 3.551 -3.147 1.00 0.00 H new ATOM 0 HB VAL B 128 87.629 2.702 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL B 128 86.597 4.716 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL B 128 85.863 4.346 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL B 128 87.047 5.668 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL B 128 89.000 4.183 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL B 128 89.463 5.137 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL B 128 89.984 3.441 -5.714 1.00 0.00 H new ATOM 962 N CYS B 129 88.378 1.280 -3.210 1.00 0.00 N ATOM 963 CA CYS B 129 89.136 0.045 -2.849 1.00 0.00 C ATOM 964 C CYS B 129 90.396 -0.088 -3.702 1.00 0.00 C ATOM 965 O CYS B 129 90.464 0.403 -4.811 1.00 0.00 O ATOM 966 CB CYS B 129 88.177 -1.108 -3.141 1.00 0.00 C ATOM 967 SG CYS B 129 88.874 -2.651 -2.501 1.00 0.00 S ATOM 0 H CYS B 129 87.375 1.148 -3.339 1.00 0.00 H new ATOM 0 HA CYS B 129 89.462 0.060 -1.809 1.00 0.00 H new ATOM 0 HB2 CYS B 129 87.209 -0.915 -2.679 1.00 0.00 H new ATOM 0 HB3 CYS B 129 88.008 -1.191 -4.215 1.00 0.00 H new ATOM 0 HG CYS B 129 88.057 -3.632 -2.748 1.00 0.00 H new ATOM 972 N THR B 130 91.395 -0.753 -3.191 1.00 0.00 N ATOM 973 CA THR B 130 92.651 -0.922 -3.971 1.00 0.00 C ATOM 974 C THR B 130 92.487 -2.057 -4.986 1.00 0.00 C ATOM 975 O THR B 130 93.136 -2.084 -6.013 1.00 0.00 O ATOM 976 CB THR B 130 93.720 -1.273 -2.935 1.00 0.00 C ATOM 977 OG1 THR B 130 94.998 -1.264 -3.554 1.00 0.00 O ATOM 978 CG2 THR B 130 93.440 -2.660 -2.357 1.00 0.00 C ATOM 0 H THR B 130 91.395 -1.186 -2.268 1.00 0.00 H new ATOM 0 HA THR B 130 92.914 -0.027 -4.534 1.00 0.00 H new ATOM 0 HB THR B 130 93.700 -0.538 -2.130 1.00 0.00 H new ATOM 0 HG1 THR B 130 95.684 -1.487 -2.891 1.00 0.00 H new ATOM 0 HG21 THR B 130 94.203 -2.908 -1.619 1.00 0.00 H new ATOM 0 HG22 THR B 130 92.460 -2.665 -1.881 1.00 0.00 H new ATOM 0 HG23 THR B 130 93.457 -3.398 -3.159 1.00 0.00 H new ATOM 986 N ARG B 131 91.621 -2.994 -4.707 1.00 0.00 N ATOM 987 CA ARG B 131 91.414 -4.124 -5.658 1.00 0.00 C ATOM 988 C ARG B 131 90.200 -3.845 -6.549 1.00 0.00 C ATOM 989 O ARG B 131 90.285 -3.893 -7.760 1.00 0.00 O ATOM 990 CB ARG B 131 91.164 -5.350 -4.779 1.00 0.00 C ATOM 991 CG ARG B 131 91.447 -6.619 -5.585 1.00 0.00 C ATOM 992 CD ARG B 131 92.332 -7.560 -4.764 1.00 0.00 C ATOM 993 NE ARG B 131 91.628 -8.873 -4.798 1.00 0.00 N ATOM 994 CZ ARG B 131 91.751 -9.653 -5.836 1.00 0.00 C ATOM 995 NH1 ARG B 131 90.978 -9.484 -6.875 1.00 0.00 N1+ ATOM 996 NH2 ARG B 131 92.647 -10.603 -5.837 1.00 0.00 N ATOM 0 H ARG B 131 91.049 -3.026 -3.863 1.00 0.00 H new ATOM 0 HA ARG B 131 92.269 -4.269 -6.318 1.00 0.00 H new ATOM 0 HB2 ARG B 131 91.804 -5.316 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG B 131 90.133 -5.353 -4.425 1.00 0.00 H new ATOM 0 HG2 ARG B 131 90.511 -7.115 -5.842 1.00 0.00 H new ATOM 0 HG3 ARG B 131 91.941 -6.364 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG B 131 93.332 -7.636 -5.192 1.00 0.00 H new ATOM 0 HD3 ARG B 131 92.449 -7.201 -3.742 1.00 0.00 H new ATOM 0 HE ARG B 131 91.050 -9.162 -4.009 1.00 0.00 H new ATOM 0 HH11 ARG B 131 90.278 -8.742 -6.875 1.00 0.00 H new ATOM 0 HH12 ARG B 131 91.074 -10.094 -7.687 1.00 0.00 H new ATOM 0 HH21 ARG B 131 93.251 -10.735 -5.026 1.00 0.00 H new ATOM 0 HH22 ARG B 131 92.743 -11.213 -6.649 1.00 0.00 H new ATOM 1010 N CYS B 132 89.073 -3.549 -5.961 1.00 0.00 N ATOM 1011 CA CYS B 132 87.860 -3.262 -6.779 1.00 0.00 C ATOM 1012 C CYS B 132 88.002 -1.895 -7.453 1.00 0.00 C ATOM 1013 O CYS B 132 87.412 -1.634 -8.481 1.00 0.00 O ATOM 1014 CB CYS B 132 86.698 -3.257 -5.786 1.00 0.00 C ATOM 1015 SG CYS B 132 86.618 -4.857 -4.943 1.00 0.00 S ATOM 0 H CYS B 132 88.940 -3.493 -4.951 1.00 0.00 H new ATOM 0 HA CYS B 132 87.708 -3.996 -7.570 1.00 0.00 H new ATOM 0 HB2 CYS B 132 86.831 -2.457 -5.058 1.00 0.00 H new ATOM 0 HB3 CYS B 132 85.761 -3.061 -6.307 1.00 0.00 H new ATOM 0 HG CYS B 132 85.402 -5.315 -4.995 1.00 0.00 H new ATOM 1020 N LYS B 133 88.787 -1.025 -6.875 1.00 0.00 N ATOM 1021 CA LYS B 133 88.989 0.330 -7.466 1.00 0.00 C ATOM 1022 C LYS B 133 87.700 1.161 -7.384 1.00 0.00 C ATOM 1023 O LYS B 133 87.612 2.238 -7.938 1.00 0.00 O ATOM 1024 CB LYS B 133 89.432 0.065 -8.920 1.00 0.00 C ATOM 1025 CG LYS B 133 88.329 0.411 -9.935 1.00 0.00 C ATOM 1026 CD LYS B 133 88.499 1.859 -10.401 1.00 0.00 C ATOM 1027 CE LYS B 133 87.125 2.470 -10.683 1.00 0.00 C ATOM 1028 NZ LYS B 133 87.326 3.320 -11.890 1.00 0.00 N1+ ATOM 0 H LYS B 133 89.301 -1.197 -6.011 1.00 0.00 H new ATOM 0 HA LYS B 133 89.736 0.916 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS B 133 90.323 0.653 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS B 133 89.708 -0.984 -9.029 1.00 0.00 H new ATOM 0 HG2 LYS B 133 88.380 -0.265 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS B 133 87.347 0.277 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS B 133 89.017 2.439 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS B 133 89.115 1.893 -11.300 1.00 0.00 H new ATOM 0 HE2 LYS B 133 86.378 1.697 -10.864 1.00 0.00 H new ATOM 0 HE3 LYS B 133 86.774 3.061 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 86.427 3.775 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 88.038 4.050 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 87.654 2.729 -12.680 1.00 0.00 H new ATOM 1042 N GLU B 134 86.704 0.684 -6.684 1.00 0.00 N ATOM 1043 CA GLU B 134 85.440 1.467 -6.569 1.00 0.00 C ATOM 1044 C GLU B 134 84.495 0.815 -5.554 1.00 0.00 C ATOM 1045 O GLU B 134 84.775 -0.236 -5.018 1.00 0.00 O ATOM 1046 CB GLU B 134 84.823 1.436 -7.966 1.00 0.00 C ATOM 1047 CG GLU B 134 84.424 0.002 -8.315 1.00 0.00 C ATOM 1048 CD GLU B 134 84.267 -0.131 -9.831 1.00 0.00 C ATOM 1049 OE1 GLU B 134 83.829 0.825 -10.448 1.00 0.00 O ATOM 1050 OE2 GLU B 134 84.589 -1.188 -10.349 1.00 0.00 O1- ATOM 0 H GLU B 134 86.711 -0.208 -6.190 1.00 0.00 H new ATOM 0 HA GLU B 134 85.621 2.485 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU B 134 83.950 2.087 -8.004 1.00 0.00 H new ATOM 0 HB3 GLU B 134 85.536 1.815 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU B 134 85.181 -0.695 -7.955 1.00 0.00 H new ATOM 0 HG3 GLU B 134 83.489 -0.258 -7.818 1.00 0.00 H new ATOM 1057 N SER B 135 83.376 1.439 -5.296 1.00 0.00 N ATOM 1058 CA SER B 135 82.400 0.864 -4.322 1.00 0.00 C ATOM 1059 C SER B 135 83.031 0.739 -2.931 1.00 0.00 C ATOM 1060 O SER B 135 82.812 -0.224 -2.224 1.00 0.00 O ATOM 1061 CB SER B 135 82.046 -0.515 -4.882 1.00 0.00 C ATOM 1062 OG SER B 135 82.861 -1.504 -4.271 1.00 0.00 O ATOM 0 H SER B 135 83.095 2.324 -5.718 1.00 0.00 H new ATOM 0 HA SER B 135 81.519 1.496 -4.205 1.00 0.00 H new ATOM 0 HB2 SER B 135 80.994 -0.733 -4.699 1.00 0.00 H new ATOM 0 HB3 SER B 135 82.191 -0.527 -5.962 1.00 0.00 H new ATOM 0 HG SER B 135 83.753 -1.488 -4.676 1.00 0.00 H new ATOM 1068 N ALA B 136 83.806 1.709 -2.527 1.00 0.00 N ATOM 1069 CA ALA B 136 84.439 1.642 -1.179 1.00 0.00 C ATOM 1070 C ALA B 136 84.282 2.980 -0.453 1.00 0.00 C ATOM 1071 O ALA B 136 84.388 4.036 -1.045 1.00 0.00 O ATOM 1072 CB ALA B 136 85.914 1.347 -1.445 1.00 0.00 C ATOM 0 H ALA B 136 84.028 2.543 -3.071 1.00 0.00 H new ATOM 0 HA ALA B 136 83.980 0.882 -0.547 1.00 0.00 H new ATOM 0 HB1 ALA B 136 86.449 1.283 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA B 136 86.005 0.401 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA B 136 86.342 2.147 -2.049 1.00 0.00 H new ATOM 1078 N ASP B 137 84.031 2.943 0.826 1.00 0.00 N ATOM 1079 CA ASP B 137 83.867 4.212 1.592 1.00 0.00 C ATOM 1080 C ASP B 137 84.662 4.147 2.900 1.00 0.00 C ATOM 1081 O ASP B 137 84.403 4.881 3.831 1.00 0.00 O ATOM 1082 CB ASP B 137 82.369 4.310 1.881 1.00 0.00 C ATOM 1083 CG ASP B 137 82.058 5.669 2.512 1.00 0.00 C ATOM 1084 OD1 ASP B 137 82.419 6.672 1.918 1.00 0.00 O1- ATOM 1085 OD2 ASP B 137 81.466 5.683 3.578 1.00 0.00 O ATOM 0 H ASP B 137 83.932 2.089 1.375 1.00 0.00 H new ATOM 0 HA ASP B 137 84.233 5.077 1.040 1.00 0.00 H new ATOM 0 HB2 ASP B 137 81.801 4.187 0.959 1.00 0.00 H new ATOM 0 HB3 ASP B 137 82.064 3.507 2.552 1.00 0.00 H new ATOM 1090 N PHE B 138 85.629 3.273 2.977 1.00 0.00 N ATOM 1091 CA PHE B 138 86.436 3.163 4.227 1.00 0.00 C ATOM 1092 C PHE B 138 87.845 2.657 3.905 1.00 0.00 C ATOM 1093 O PHE B 138 88.036 1.836 3.031 1.00 0.00 O ATOM 1094 CB PHE B 138 85.688 2.148 5.092 1.00 0.00 C ATOM 1095 CG PHE B 138 84.682 2.867 5.959 1.00 0.00 C ATOM 1096 CD1 PHE B 138 85.058 3.339 7.222 1.00 0.00 C ATOM 1097 CD2 PHE B 138 83.374 3.060 5.501 1.00 0.00 C ATOM 1098 CE1 PHE B 138 84.126 4.005 8.027 1.00 0.00 C ATOM 1099 CE2 PHE B 138 82.441 3.728 6.305 1.00 0.00 C ATOM 1100 CZ PHE B 138 82.818 4.199 7.568 1.00 0.00 C ATOM 0 H PHE B 138 85.895 2.631 2.230 1.00 0.00 H new ATOM 0 HA PHE B 138 86.551 4.123 4.730 1.00 0.00 H new ATOM 0 HB2 PHE B 138 85.183 1.418 4.460 1.00 0.00 H new ATOM 0 HB3 PHE B 138 86.392 1.597 5.715 1.00 0.00 H new ATOM 0 HD1 PHE B 138 86.067 3.189 7.576 1.00 0.00 H new ATOM 0 HD2 PHE B 138 83.083 2.694 4.527 1.00 0.00 H new ATOM 0 HE1 PHE B 138 84.416 4.369 9.002 1.00 0.00 H new ATOM 0 HE2 PHE B 138 81.432 3.879 5.951 1.00 0.00 H new ATOM 0 HZ PHE B 138 82.099 4.713 8.189 1.00 0.00 H new ATOM 1110 N TRP B 139 88.833 3.137 4.611 1.00 0.00 N ATOM 1111 CA TRP B 139 90.228 2.679 4.349 1.00 0.00 C ATOM 1112 C TRP B 139 90.921 2.328 5.669 1.00 0.00 C ATOM 1113 O TRP B 139 90.782 3.019 6.658 1.00 0.00 O ATOM 1114 CB TRP B 139 90.915 3.863 3.664 1.00 0.00 C ATOM 1115 CG TRP B 139 91.863 4.526 4.613 1.00 0.00 C ATOM 1116 CD1 TRP B 139 93.109 4.085 4.906 1.00 0.00 C ATOM 1117 CD2 TRP B 139 91.666 5.742 5.392 1.00 0.00 C ATOM 1118 NE1 TRP B 139 93.686 4.950 5.819 1.00 0.00 N ATOM 1119 CE2 TRP B 139 92.837 5.988 6.147 1.00 0.00 C ATOM 1120 CE3 TRP B 139 90.596 6.647 5.515 1.00 0.00 C ATOM 1121 CZ2 TRP B 139 92.942 7.090 6.996 1.00 0.00 C ATOM 1122 CZ3 TRP B 139 90.699 7.759 6.367 1.00 0.00 C ATOM 1123 CH2 TRP B 139 91.870 7.980 7.105 1.00 0.00 C ATOM 0 H TRP B 139 88.735 3.826 5.357 1.00 0.00 H new ATOM 0 HA TRP B 139 90.264 1.784 3.729 1.00 0.00 H new ATOM 0 HB2 TRP B 139 91.453 3.520 2.780 1.00 0.00 H new ATOM 0 HB3 TRP B 139 90.168 4.580 3.324 1.00 0.00 H new ATOM 0 HD1 TRP B 139 93.576 3.202 4.494 1.00 0.00 H new ATOM 0 HE1 TRP B 139 94.624 4.835 6.203 1.00 0.00 H new ATOM 0 HE3 TRP B 139 89.689 6.486 4.951 1.00 0.00 H new ATOM 0 HZ2 TRP B 139 93.845 7.254 7.565 1.00 0.00 H new ATOM 0 HZ3 TRP B 139 89.871 8.447 6.454 1.00 0.00 H new ATOM 0 HH2 TRP B 139 91.944 8.837 7.757 1.00 0.00 H new ATOM 1134 N CYS B 140 91.666 1.256 5.691 1.00 0.00 N ATOM 1135 CA CYS B 140 92.363 0.857 6.948 1.00 0.00 C ATOM 1136 C CYS B 140 93.576 1.759 7.196 1.00 0.00 C ATOM 1137 O CYS B 140 94.387 1.980 6.320 1.00 0.00 O ATOM 1138 CB CYS B 140 92.809 -0.586 6.710 1.00 0.00 C ATOM 1139 SG CYS B 140 91.569 -1.719 7.388 1.00 0.00 S ATOM 0 H CYS B 140 91.822 0.639 4.894 1.00 0.00 H new ATOM 0 HA CYS B 140 91.719 0.948 7.822 1.00 0.00 H new ATOM 0 HB2 CYS B 140 92.938 -0.767 5.643 1.00 0.00 H new ATOM 0 HB3 CYS B 140 93.775 -0.762 7.182 1.00 0.00 H new ATOM 0 HG CYS B 140 91.773 -2.915 6.922 1.00 0.00 H new ATOM 1144 N PHE B 141 93.706 2.276 8.387 1.00 0.00 N ATOM 1145 CA PHE B 141 94.867 3.160 8.695 1.00 0.00 C ATOM 1146 C PHE B 141 96.149 2.328 8.793 1.00 0.00 C ATOM 1147 O PHE B 141 97.201 2.734 8.339 1.00 0.00 O ATOM 1148 CB PHE B 141 94.535 3.795 10.046 1.00 0.00 C ATOM 1149 CG PHE B 141 94.940 5.249 10.033 1.00 0.00 C ATOM 1150 CD1 PHE B 141 96.218 5.616 9.596 1.00 0.00 C ATOM 1151 CD2 PHE B 141 94.037 6.231 10.458 1.00 0.00 C ATOM 1152 CE1 PHE B 141 96.594 6.965 9.584 1.00 0.00 C ATOM 1153 CE2 PHE B 141 94.413 7.580 10.447 1.00 0.00 C ATOM 1154 CZ PHE B 141 95.692 7.946 10.009 1.00 0.00 C ATOM 0 H PHE B 141 93.059 2.125 9.161 1.00 0.00 H new ATOM 0 HA PHE B 141 95.032 3.911 7.923 1.00 0.00 H new ATOM 0 HB2 PHE B 141 93.468 3.706 10.249 1.00 0.00 H new ATOM 0 HB3 PHE B 141 95.057 3.268 10.845 1.00 0.00 H new ATOM 0 HD1 PHE B 141 96.914 4.859 9.268 1.00 0.00 H new ATOM 0 HD2 PHE B 141 93.050 5.948 10.794 1.00 0.00 H new ATOM 0 HE1 PHE B 141 97.580 7.248 9.247 1.00 0.00 H new ATOM 0 HE2 PHE B 141 93.717 8.338 10.776 1.00 0.00 H new ATOM 0 HZ PHE B 141 95.982 8.986 9.999 1.00 0.00 H new ATOM 1164 N GLU B 142 96.067 1.165 9.380 1.00 0.00 N ATOM 1165 CA GLU B 142 97.280 0.306 9.506 1.00 0.00 C ATOM 1166 C GLU B 142 97.699 -0.216 8.129 1.00 0.00 C ATOM 1167 O GLU B 142 98.838 -0.089 7.726 1.00 0.00 O ATOM 1168 CB GLU B 142 96.852 -0.852 10.409 1.00 0.00 C ATOM 1169 CG GLU B 142 97.500 -0.691 11.787 1.00 0.00 C ATOM 1170 CD GLU B 142 96.545 -1.214 12.862 1.00 0.00 C ATOM 1171 OE1 GLU B 142 95.642 -0.481 13.230 1.00 0.00 O ATOM 1172 OE2 GLU B 142 96.733 -2.337 13.298 1.00 0.00 O1- ATOM 0 H GLU B 142 95.214 0.772 9.778 1.00 0.00 H new ATOM 0 HA GLU B 142 98.132 0.849 9.915 1.00 0.00 H new ATOM 0 HB2 GLU B 142 95.766 -0.870 10.506 1.00 0.00 H new ATOM 0 HB3 GLU B 142 97.148 -1.802 9.965 1.00 0.00 H new ATOM 0 HG2 GLU B 142 98.442 -1.238 11.824 1.00 0.00 H new ATOM 0 HG3 GLU B 142 97.733 0.358 11.971 1.00 0.00 H new ATOM 1179 N CYS B 143 96.784 -0.800 7.405 1.00 0.00 N ATOM 1180 CA CYS B 143 97.127 -1.327 6.053 1.00 0.00 C ATOM 1181 C CYS B 143 97.248 -0.179 5.045 1.00 0.00 C ATOM 1182 O CYS B 143 97.778 -0.345 3.965 1.00 0.00 O ATOM 1183 CB CYS B 143 95.964 -2.247 5.679 1.00 0.00 C ATOM 1184 SG CYS B 143 95.898 -3.638 6.836 1.00 0.00 S ATOM 0 H CYS B 143 95.814 -0.935 7.691 1.00 0.00 H new ATOM 0 HA CYS B 143 98.082 -1.852 6.048 1.00 0.00 H new ATOM 0 HB2 CYS B 143 95.025 -1.693 5.705 1.00 0.00 H new ATOM 0 HB3 CYS B 143 96.089 -2.613 4.660 1.00 0.00 H new ATOM 0 HG CYS B 143 95.212 -3.297 7.886 1.00 0.00 H new ATOM 1189 N GLU B 144 96.759 0.985 5.387 1.00 0.00 N ATOM 1190 CA GLU B 144 96.849 2.136 4.443 1.00 0.00 C ATOM 1191 C GLU B 144 96.270 1.743 3.080 1.00 0.00 C ATOM 1192 O GLU B 144 96.752 2.159 2.046 1.00 0.00 O ATOM 1193 CB GLU B 144 98.343 2.440 4.329 1.00 0.00 C ATOM 1194 CG GLU B 144 98.866 2.938 5.678 1.00 0.00 C ATOM 1195 CD GLU B 144 100.376 3.170 5.587 1.00 0.00 C ATOM 1196 OE1 GLU B 144 100.812 3.727 4.592 1.00 0.00 O1- ATOM 1197 OE2 GLU B 144 101.072 2.787 6.514 1.00 0.00 O ATOM 0 H GLU B 144 96.303 1.187 6.277 1.00 0.00 H new ATOM 0 HA GLU B 144 96.286 3.003 4.789 1.00 0.00 H new ATOM 0 HB2 GLU B 144 98.885 1.545 4.025 1.00 0.00 H new ATOM 0 HB3 GLU B 144 98.514 3.193 3.560 1.00 0.00 H new ATOM 0 HG2 GLU B 144 98.361 3.863 5.956 1.00 0.00 H new ATOM 0 HG3 GLU B 144 98.646 2.208 6.457 1.00 0.00 H new ATOM 1204 N GLN B 145 95.236 0.945 3.074 1.00 0.00 N ATOM 1205 CA GLN B 145 94.624 0.523 1.782 1.00 0.00 C ATOM 1206 C GLN B 145 93.104 0.702 1.835 1.00 0.00 C ATOM 1207 O GLN B 145 92.493 0.597 2.880 1.00 0.00 O ATOM 1208 CB GLN B 145 94.983 -0.956 1.639 1.00 0.00 C ATOM 1209 CG GLN B 145 96.458 -1.089 1.258 1.00 0.00 C ATOM 1210 CD GLN B 145 97.060 -2.310 1.957 1.00 0.00 C ATOM 1211 OE1 GLN B 145 98.183 -2.268 2.418 1.00 0.00 O ATOM 1212 NE2 GLN B 145 96.355 -3.403 2.055 1.00 0.00 N ATOM 0 H GLN B 145 94.789 0.567 3.909 1.00 0.00 H new ATOM 0 HA GLN B 145 94.986 1.114 0.941 1.00 0.00 H new ATOM 0 HB2 GLN B 145 94.790 -1.480 2.575 1.00 0.00 H new ATOM 0 HB3 GLN B 145 94.357 -1.421 0.878 1.00 0.00 H new ATOM 0 HG2 GLN B 145 96.557 -1.190 0.177 1.00 0.00 H new ATOM 0 HG3 GLN B 145 97.001 -0.188 1.545 1.00 0.00 H new ATOM 0 HE21 GLN B 145 95.412 -3.438 1.668 1.00 0.00 H new ATOM 0 HE22 GLN B 145 96.747 -4.223 2.519 1.00 0.00 H new ATOM 1221 N LEU B 146 92.489 0.969 0.715 1.00 0.00 N ATOM 1222 CA LEU B 146 91.009 1.151 0.702 1.00 0.00 C ATOM 1223 C LEU B 146 90.317 -0.208 0.557 1.00 0.00 C ATOM 1224 O LEU B 146 90.812 -1.097 -0.106 1.00 0.00 O ATOM 1225 CB LEU B 146 90.726 2.031 -0.515 1.00 0.00 C ATOM 1226 CG LEU B 146 91.498 3.346 -0.383 1.00 0.00 C ATOM 1227 CD1 LEU B 146 92.797 3.259 -1.187 1.00 0.00 C ATOM 1228 CD2 LEU B 146 90.642 4.496 -0.919 1.00 0.00 C ATOM 0 H LEU B 146 92.947 1.069 -0.191 1.00 0.00 H new ATOM 0 HA LEU B 146 90.638 1.603 1.622 1.00 0.00 H new ATOM 0 HB2 LEU B 146 91.021 1.514 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU B 146 89.657 2.230 -0.593 1.00 0.00 H new ATOM 0 HG LEU B 146 91.732 3.526 0.666 1.00 0.00 H new ATOM 0 HD11 LEU B 146 93.347 4.196 -1.093 1.00 0.00 H new ATOM 0 HD12 LEU B 146 93.407 2.440 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU B 146 92.564 3.079 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU B 146 91.191 5.433 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU B 146 90.407 4.316 -1.968 1.00 0.00 H new ATOM 0 HD23 LEU B 146 89.717 4.559 -0.346 1.00 0.00 H new ATOM 1240 N LEU B 147 89.179 -0.377 1.173 1.00 0.00 N ATOM 1241 CA LEU B 147 88.465 -1.682 1.067 1.00 0.00 C ATOM 1242 C LEU B 147 86.985 -1.455 0.744 1.00 0.00 C ATOM 1243 O LEU B 147 86.325 -0.636 1.351 1.00 0.00 O ATOM 1244 CB LEU B 147 88.619 -2.332 2.442 1.00 0.00 C ATOM 1245 CG LEU B 147 90.084 -2.709 2.666 1.00 0.00 C ATOM 1246 CD1 LEU B 147 90.760 -1.637 3.523 1.00 0.00 C ATOM 1247 CD2 LEU B 147 90.162 -4.059 3.383 1.00 0.00 C ATOM 0 H LEU B 147 88.714 0.329 1.743 1.00 0.00 H new ATOM 0 HA LEU B 147 88.870 -2.308 0.272 1.00 0.00 H new ATOM 0 HB2 LEU B 147 88.286 -1.645 3.220 1.00 0.00 H new ATOM 0 HB3 LEU B 147 87.990 -3.219 2.509 1.00 0.00 H new ATOM 0 HG LEU B 147 90.591 -2.780 1.704 1.00 0.00 H new ATOM 0 HD11 LEU B 147 91.804 -1.905 3.683 1.00 0.00 H new ATOM 0 HD12 LEU B 147 90.706 -0.676 3.012 1.00 0.00 H new ATOM 0 HD13 LEU B 147 90.252 -1.566 4.485 1.00 0.00 H new ATOM 0 HD21 LEU B 147 91.207 -4.327 3.542 1.00 0.00 H new ATOM 0 HD22 LEU B 147 89.655 -3.990 4.345 1.00 0.00 H new ATOM 0 HD23 LEU B 147 89.680 -4.823 2.773 1.00 0.00 H new ATOM 1259 N CYS B 148 86.461 -2.178 -0.207 1.00 0.00 N ATOM 1260 CA CYS B 148 85.025 -2.009 -0.566 1.00 0.00 C ATOM 1261 C CYS B 148 84.147 -2.744 0.451 1.00 0.00 C ATOM 1262 O CYS B 148 84.635 -3.461 1.300 1.00 0.00 O ATOM 1263 CB CYS B 148 84.886 -2.640 -1.952 1.00 0.00 C ATOM 1264 SG CYS B 148 85.237 -4.413 -1.847 1.00 0.00 S ATOM 0 H CYS B 148 86.965 -2.878 -0.751 1.00 0.00 H new ATOM 0 HA CYS B 148 84.714 -0.964 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS B 148 83.879 -2.480 -2.337 1.00 0.00 H new ATOM 0 HB3 CYS B 148 85.573 -2.163 -2.651 1.00 0.00 H new ATOM 0 HG CYS B 148 85.897 -4.788 -2.902 1.00 0.00 H new ATOM 1269 N ALA B 149 82.856 -2.571 0.375 1.00 0.00 N ATOM 1270 CA ALA B 149 81.960 -3.263 1.345 1.00 0.00 C ATOM 1271 C ALA B 149 82.296 -4.755 1.404 1.00 0.00 C ATOM 1272 O ALA B 149 82.208 -5.380 2.442 1.00 0.00 O ATOM 1273 CB ALA B 149 80.545 -3.050 0.804 1.00 0.00 C ATOM 0 H ALA B 149 82.384 -1.984 -0.313 1.00 0.00 H new ATOM 0 HA ALA B 149 82.069 -2.874 2.357 1.00 0.00 H new ATOM 0 HB1 ALA B 149 79.826 -3.532 1.466 1.00 0.00 H new ATOM 0 HB2 ALA B 149 80.332 -1.982 0.753 1.00 0.00 H new ATOM 0 HB3 ALA B 149 80.468 -3.484 -0.193 1.00 0.00 H new ATOM 1279 N LYS B 150 82.682 -5.331 0.299 1.00 0.00 N ATOM 1280 CA LYS B 150 83.025 -6.783 0.294 1.00 0.00 C ATOM 1281 C LYS B 150 84.396 -7.011 0.942 1.00 0.00 C ATOM 1282 O LYS B 150 84.744 -8.119 1.299 1.00 0.00 O ATOM 1283 CB LYS B 150 83.058 -7.179 -1.183 1.00 0.00 C ATOM 1284 CG LYS B 150 81.765 -7.912 -1.544 1.00 0.00 C ATOM 1285 CD LYS B 150 81.841 -9.357 -1.047 1.00 0.00 C ATOM 1286 CE LYS B 150 80.437 -9.966 -1.036 1.00 0.00 C ATOM 1287 NZ LYS B 150 80.429 -10.885 0.138 1.00 0.00 N1+ ATOM 0 H LYS B 150 82.775 -4.860 -0.601 1.00 0.00 H new ATOM 0 HA LYS B 150 82.306 -7.376 0.860 1.00 0.00 H new ATOM 0 HB2 LYS B 150 83.172 -6.292 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS B 150 83.918 -7.819 -1.380 1.00 0.00 H new ATOM 0 HG2 LYS B 150 80.910 -7.406 -1.095 1.00 0.00 H new ATOM 0 HG3 LYS B 150 81.614 -7.895 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS B 150 82.497 -9.941 -1.692 1.00 0.00 H new ATOM 0 HD3 LYS B 150 82.270 -9.386 -0.045 1.00 0.00 H new ATOM 0 HE2 LYS B 150 79.672 -9.195 -0.940 1.00 0.00 H new ATOM 0 HE3 LYS B 150 80.232 -10.505 -1.961 1.00 0.00 H new ATOM 0 HZ1 LYS B 150 79.498 -11.343 0.214 1.00 0.00 H new ATOM 0 HZ2 LYS B 150 81.163 -11.612 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 150 80.620 -10.343 1.005 1.00 0.00 H new ATOM 1301 N CYS B 151 85.179 -5.976 1.091 1.00 0.00 N ATOM 1302 CA CYS B 151 86.526 -6.145 1.710 1.00 0.00 C ATOM 1303 C CYS B 151 86.565 -5.502 3.101 1.00 0.00 C ATOM 1304 O CYS B 151 87.014 -6.101 4.059 1.00 0.00 O ATOM 1305 CB CYS B 151 87.487 -5.427 0.762 1.00 0.00 C ATOM 1306 SG CYS B 151 87.818 -6.480 -0.672 1.00 0.00 S ATOM 0 H CYS B 151 84.945 -5.023 0.812 1.00 0.00 H new ATOM 0 HA CYS B 151 86.787 -7.195 1.844 1.00 0.00 H new ATOM 0 HB2 CYS B 151 87.056 -4.479 0.439 1.00 0.00 H new ATOM 0 HB3 CYS B 151 88.418 -5.194 1.278 1.00 0.00 H new ATOM 0 HG CYS B 151 87.022 -6.150 -1.646 1.00 0.00 H new ATOM 1311 N PHE B 152 86.097 -4.289 3.222 1.00 0.00 N ATOM 1312 CA PHE B 152 86.112 -3.616 4.552 1.00 0.00 C ATOM 1313 C PHE B 152 85.424 -4.503 5.593 1.00 0.00 C ATOM 1314 O PHE B 152 85.964 -4.776 6.648 1.00 0.00 O ATOM 1315 CB PHE B 152 85.331 -2.318 4.349 1.00 0.00 C ATOM 1316 CG PHE B 152 85.120 -1.642 5.682 1.00 0.00 C ATOM 1317 CD1 PHE B 152 86.089 -1.758 6.687 1.00 0.00 C ATOM 1318 CD2 PHE B 152 83.958 -0.896 5.913 1.00 0.00 C ATOM 1319 CE1 PHE B 152 85.894 -1.129 7.923 1.00 0.00 C ATOM 1320 CE2 PHE B 152 83.764 -0.268 7.149 1.00 0.00 C ATOM 1321 CZ PHE B 152 84.731 -0.385 8.154 1.00 0.00 C ATOM 0 H PHE B 152 85.706 -3.736 2.459 1.00 0.00 H new ATOM 0 HA PHE B 152 87.123 -3.427 4.912 1.00 0.00 H new ATOM 0 HB2 PHE B 152 85.875 -1.656 3.676 1.00 0.00 H new ATOM 0 HB3 PHE B 152 84.370 -2.529 3.880 1.00 0.00 H new ATOM 0 HD1 PHE B 152 86.986 -2.332 6.509 1.00 0.00 H new ATOM 0 HD2 PHE B 152 83.211 -0.805 5.138 1.00 0.00 H new ATOM 0 HE1 PHE B 152 86.641 -1.218 8.698 1.00 0.00 H new ATOM 0 HE2 PHE B 152 82.867 0.307 7.327 1.00 0.00 H new ATOM 0 HZ PHE B 152 84.580 0.099 9.108 1.00 0.00 H new ATOM 1331 N GLU B 153 84.237 -4.957 5.300 1.00 0.00 N ATOM 1332 CA GLU B 153 83.515 -5.829 6.269 1.00 0.00 C ATOM 1333 C GLU B 153 84.356 -7.067 6.587 1.00 0.00 C ATOM 1334 O GLU B 153 84.459 -7.483 7.723 1.00 0.00 O ATOM 1335 CB GLU B 153 82.222 -6.226 5.558 1.00 0.00 C ATOM 1336 CG GLU B 153 81.113 -5.243 5.934 1.00 0.00 C ATOM 1337 CD GLU B 153 80.331 -5.791 7.129 1.00 0.00 C ATOM 1338 OE1 GLU B 153 79.469 -6.628 6.914 1.00 0.00 O1- ATOM 1339 OE2 GLU B 153 80.607 -5.366 8.239 1.00 0.00 O ATOM 0 H GLU B 153 83.736 -4.762 4.433 1.00 0.00 H new ATOM 0 HA GLU B 153 83.319 -5.325 7.215 1.00 0.00 H new ATOM 0 HB2 GLU B 153 82.373 -6.226 4.478 1.00 0.00 H new ATOM 0 HB3 GLU B 153 81.936 -7.239 5.839 1.00 0.00 H new ATOM 0 HG2 GLU B 153 81.541 -4.271 6.180 1.00 0.00 H new ATOM 0 HG3 GLU B 153 80.444 -5.091 5.087 1.00 0.00 H new ATOM 1346 N ALA B 154 84.959 -7.657 5.593 1.00 0.00 N ATOM 1347 CA ALA B 154 85.794 -8.868 5.842 1.00 0.00 C ATOM 1348 C ALA B 154 86.838 -8.575 6.922 1.00 0.00 C ATOM 1349 O ALA B 154 87.100 -9.392 7.782 1.00 0.00 O ATOM 1350 CB ALA B 154 86.471 -9.164 4.503 1.00 0.00 C ATOM 0 H ALA B 154 84.911 -7.355 4.620 1.00 0.00 H new ATOM 0 HA ALA B 154 85.204 -9.714 6.194 1.00 0.00 H new ATOM 0 HB1 ALA B 154 87.106 -10.045 4.603 1.00 0.00 H new ATOM 0 HB2 ALA B 154 85.711 -9.349 3.744 1.00 0.00 H new ATOM 0 HB3 ALA B 154 87.080 -8.310 4.206 1.00 0.00 H new ATOM 1356 N HIS B 155 87.434 -7.414 6.886 1.00 0.00 N ATOM 1357 CA HIS B 155 88.458 -7.074 7.916 1.00 0.00 C ATOM 1358 C HIS B 155 87.799 -6.941 9.292 1.00 0.00 C ATOM 1359 O HIS B 155 88.126 -7.656 10.222 1.00 0.00 O ATOM 1360 CB HIS B 155 89.035 -5.729 7.468 1.00 0.00 C ATOM 1361 CG HIS B 155 90.537 -5.801 7.457 1.00 0.00 C ATOM 1362 ND1 HIS B 155 91.468 -5.407 6.529 1.00 0.00 N flip ATOM 1363 CD2 HIS B 155 91.259 -6.336 8.514 1.00 0.00 C flip ATOM 1364 CE1 HIS B 155 92.748 -5.691 6.997 1.00 0.00 C flip ATOM 1365 NE2 HIS B 155 92.563 -6.250 8.197 1.00 0.00 N flip ATOM 0 H HIS B 155 87.257 -6.689 6.191 1.00 0.00 H new ATOM 0 HA HIS B 155 89.227 -7.841 8.004 1.00 0.00 H new ATOM 0 HB2 HIS B 155 88.666 -5.477 6.474 1.00 0.00 H new ATOM 0 HB3 HIS B 155 88.704 -4.938 8.141 1.00 0.00 H new ATOM 0 HD2 HIS B 155 90.849 -6.746 9.425 1.00 0.00 H new ATOM 0 HE1 HIS B 155 93.687 -5.501 6.499 1.00 0.00 H new ATOM 0 HE2 HIS B 155 93.320 -6.573 8.800 1.00 0.00 H new ATOM 1373 N GLN B 156 86.872 -6.033 9.430 1.00 0.00 N ATOM 1374 CA GLN B 156 86.192 -5.854 10.745 1.00 0.00 C ATOM 1375 C GLN B 156 85.399 -7.111 11.117 1.00 0.00 C ATOM 1376 O GLN B 156 85.012 -7.297 12.254 1.00 0.00 O ATOM 1377 CB GLN B 156 85.248 -4.667 10.544 1.00 0.00 C ATOM 1378 CG GLN B 156 85.668 -3.521 11.465 1.00 0.00 C ATOM 1379 CD GLN B 156 84.559 -2.468 11.505 1.00 0.00 C ATOM 1380 OE1 GLN B 156 84.726 -1.338 10.875 1.00 0.00 O flip ATOM 1381 NE2 GLN B 156 83.529 -2.676 12.115 1.00 0.00 N flip ATOM 0 H GLN B 156 86.556 -5.407 8.689 1.00 0.00 H new ATOM 0 HA GLN B 156 86.903 -5.681 11.553 1.00 0.00 H new ATOM 0 HB2 GLN B 156 85.273 -4.340 9.504 1.00 0.00 H new ATOM 0 HB3 GLN B 156 84.222 -4.964 10.760 1.00 0.00 H new ATOM 0 HG2 GLN B 156 85.862 -3.899 12.469 1.00 0.00 H new ATOM 0 HG3 GLN B 156 86.596 -3.074 11.108 1.00 0.00 H new ATOM 0 HE21 GLN B 156 83.398 -3.559 12.608 1.00 0.00 H new ATOM 0 HE22 GLN B 156 82.796 -1.967 12.134 1.00 0.00 H new ATOM 1390 N TRP B 157 85.156 -7.977 10.171 1.00 0.00 N ATOM 1391 CA TRP B 157 84.389 -9.218 10.478 1.00 0.00 C ATOM 1392 C TRP B 157 85.351 -10.383 10.710 1.00 0.00 C ATOM 1393 O TRP B 157 85.074 -11.290 11.470 1.00 0.00 O ATOM 1394 CB TRP B 157 83.536 -9.470 9.235 1.00 0.00 C ATOM 1395 CG TRP B 157 82.764 -10.739 9.407 1.00 0.00 C ATOM 1396 CD1 TRP B 157 81.528 -10.829 9.949 1.00 0.00 C ATOM 1397 CD2 TRP B 157 83.153 -12.095 9.045 1.00 0.00 C ATOM 1398 NE1 TRP B 157 81.133 -12.154 9.942 1.00 0.00 N ATOM 1399 CE2 TRP B 157 82.099 -12.974 9.395 1.00 0.00 C ATOM 1400 CE3 TRP B 157 84.304 -12.644 8.453 1.00 0.00 C ATOM 1401 CZ2 TRP B 157 82.186 -14.347 9.166 1.00 0.00 C ATOM 1402 CZ3 TRP B 157 84.395 -14.026 8.221 1.00 0.00 C ATOM 1403 CH2 TRP B 157 83.338 -14.875 8.575 1.00 0.00 C ATOM 0 H TRP B 157 85.455 -7.879 9.201 1.00 0.00 H new ATOM 0 HA TRP B 157 83.781 -9.120 11.378 1.00 0.00 H new ATOM 0 HB2 TRP B 157 82.853 -8.636 9.075 1.00 0.00 H new ATOM 0 HB3 TRP B 157 84.172 -9.536 8.352 1.00 0.00 H new ATOM 0 HD1 TRP B 157 80.945 -10.001 10.326 1.00 0.00 H new ATOM 0 HE1 TRP B 157 80.236 -12.485 10.298 1.00 0.00 H new ATOM 0 HE3 TRP B 157 85.124 -11.998 8.175 1.00 0.00 H new ATOM 0 HZ2 TRP B 157 81.370 -14.998 9.443 1.00 0.00 H new ATOM 0 HZ3 TRP B 157 85.285 -14.437 7.767 1.00 0.00 H new ATOM 0 HH2 TRP B 157 83.413 -15.937 8.391 1.00 0.00 H new ATOM 1414 N PHE B 158 86.481 -10.365 10.060 1.00 0.00 N ATOM 1415 CA PHE B 158 87.460 -11.473 10.241 1.00 0.00 C ATOM 1416 C PHE B 158 88.217 -11.307 11.559 1.00 0.00 C ATOM 1417 O PHE B 158 88.805 -12.240 12.069 1.00 0.00 O ATOM 1418 CB PHE B 158 88.415 -11.362 9.053 1.00 0.00 C ATOM 1419 CG PHE B 158 89.475 -12.433 9.157 1.00 0.00 C ATOM 1420 CD1 PHE B 158 89.142 -13.708 9.633 1.00 0.00 C ATOM 1421 CD2 PHE B 158 90.794 -12.151 8.779 1.00 0.00 C ATOM 1422 CE1 PHE B 158 90.125 -14.699 9.730 1.00 0.00 C ATOM 1423 CE2 PHE B 158 91.778 -13.143 8.876 1.00 0.00 C ATOM 1424 CZ PHE B 158 91.443 -14.417 9.353 1.00 0.00 C ATOM 0 H PHE B 158 86.769 -9.632 9.412 1.00 0.00 H new ATOM 0 HA PHE B 158 86.973 -12.447 10.280 1.00 0.00 H new ATOM 0 HB2 PHE B 158 87.864 -11.470 8.119 1.00 0.00 H new ATOM 0 HB3 PHE B 158 88.879 -10.376 9.037 1.00 0.00 H new ATOM 0 HD1 PHE B 158 88.125 -13.926 9.925 1.00 0.00 H new ATOM 0 HD2 PHE B 158 91.052 -11.168 8.413 1.00 0.00 H new ATOM 0 HE1 PHE B 158 89.867 -15.682 10.096 1.00 0.00 H new ATOM 0 HE2 PHE B 158 92.795 -12.926 8.583 1.00 0.00 H new ATOM 0 HZ PHE B 158 92.202 -15.182 9.430 1.00 0.00 H new ATOM 1434 N LEU B 159 88.214 -10.127 12.115 1.00 0.00 N ATOM 1435 CA LEU B 159 88.941 -9.914 13.398 1.00 0.00 C ATOM 1436 C LEU B 159 88.643 -8.512 13.945 1.00 0.00 C ATOM 1437 O LEU B 159 87.527 -8.038 13.876 1.00 0.00 O ATOM 1438 CB LEU B 159 90.411 -10.070 13.028 1.00 0.00 C ATOM 1439 CG LEU B 159 90.753 -9.058 11.938 1.00 0.00 C ATOM 1440 CD1 LEU B 159 91.799 -8.073 12.462 1.00 0.00 C ATOM 1441 CD2 LEU B 159 91.306 -9.797 10.727 1.00 0.00 C ATOM 0 H LEU B 159 87.742 -9.305 11.739 1.00 0.00 H new ATOM 0 HA LEU B 159 88.645 -10.613 14.180 1.00 0.00 H new ATOM 0 HB2 LEU B 159 91.040 -9.909 13.904 1.00 0.00 H new ATOM 0 HB3 LEU B 159 90.607 -11.083 12.677 1.00 0.00 H new ATOM 0 HG LEU B 159 89.856 -8.508 11.653 1.00 0.00 H new ATOM 0 HD11 LEU B 159 92.042 -7.351 11.682 1.00 0.00 H new ATOM 0 HD12 LEU B 159 91.402 -7.548 13.331 1.00 0.00 H new ATOM 0 HD13 LEU B 159 92.700 -8.616 12.747 1.00 0.00 H new ATOM 0 HD21 LEU B 159 91.552 -9.080 9.944 1.00 0.00 H new ATOM 0 HD22 LEU B 159 92.204 -10.344 11.014 1.00 0.00 H new ATOM 0 HD23 LEU B 159 90.558 -10.497 10.355 1.00 0.00 H new ATOM 1453 N LYS B 160 89.623 -7.844 14.494 1.00 0.00 N ATOM 1454 CA LYS B 160 89.376 -6.480 15.043 1.00 0.00 C ATOM 1455 C LYS B 160 90.256 -5.452 14.329 1.00 0.00 C ATOM 1456 O LYS B 160 91.450 -5.388 14.543 1.00 0.00 O ATOM 1457 CB LYS B 160 89.755 -6.572 16.521 1.00 0.00 C ATOM 1458 CG LYS B 160 88.852 -7.593 17.216 1.00 0.00 C ATOM 1459 CD LYS B 160 88.097 -6.912 18.360 1.00 0.00 C ATOM 1460 CE LYS B 160 89.038 -6.722 19.552 1.00 0.00 C ATOM 1461 NZ LYS B 160 89.004 -8.025 20.276 1.00 0.00 N1+ ATOM 0 H LYS B 160 90.581 -8.183 14.586 1.00 0.00 H new ATOM 0 HA LYS B 160 88.342 -6.163 14.905 1.00 0.00 H new ATOM 0 HB2 LYS B 160 90.800 -6.866 16.622 1.00 0.00 H new ATOM 0 HB3 LYS B 160 89.651 -5.596 16.996 1.00 0.00 H new ATOM 0 HG2 LYS B 160 88.146 -8.016 16.501 1.00 0.00 H new ATOM 0 HG3 LYS B 160 89.449 -8.419 17.601 1.00 0.00 H new ATOM 0 HD2 LYS B 160 87.710 -5.947 18.031 1.00 0.00 H new ATOM 0 HD3 LYS B 160 87.239 -7.516 18.654 1.00 0.00 H new ATOM 0 HE2 LYS B 160 90.048 -6.478 19.223 1.00 0.00 H new ATOM 0 HE3 LYS B 160 88.705 -5.905 20.192 1.00 0.00 H new ATOM 0 HZ1 LYS B 160 89.938 -8.216 20.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 160 88.290 -7.984 21.031 1.00 0.00 H new ATOM 0 HZ3 LYS B 160 88.760 -8.786 19.610 1.00 0.00 H new ATOM 1475 N HIS B 161 89.677 -4.645 13.483 1.00 0.00 N ATOM 1476 CA HIS B 161 90.483 -3.620 12.762 1.00 0.00 C ATOM 1477 C HIS B 161 89.762 -2.271 12.785 1.00 0.00 C ATOM 1478 O HIS B 161 88.548 -2.205 12.799 1.00 0.00 O ATOM 1479 CB HIS B 161 90.604 -4.143 11.331 1.00 0.00 C ATOM 1480 CG HIS B 161 92.006 -3.919 10.833 1.00 0.00 C ATOM 1481 ND1 HIS B 161 92.945 -4.936 10.790 1.00 0.00 N ATOM 1482 CD2 HIS B 161 92.641 -2.800 10.353 1.00 0.00 C ATOM 1483 CE1 HIS B 161 94.086 -4.415 10.298 1.00 0.00 C ATOM 1484 NE2 HIS B 161 93.954 -3.116 10.016 1.00 0.00 N ATOM 0 H HIS B 161 88.682 -4.651 13.260 1.00 0.00 H new ATOM 0 HA HIS B 161 91.460 -3.465 13.220 1.00 0.00 H new ATOM 0 HB2 HIS B 161 90.360 -5.205 11.299 1.00 0.00 H new ATOM 0 HB3 HIS B 161 89.891 -3.632 10.684 1.00 0.00 H new ATOM 0 HD2 HIS B 161 92.190 -1.824 10.252 1.00 0.00 H new ATOM 0 HE1 HIS B 161 94.995 -4.978 10.150 1.00 0.00 H new ATOM 0 HE2 HIS B 161 94.663 -2.490 9.635 1.00 0.00 H new ATOM 1492 N GLU B 162 90.499 -1.196 12.792 1.00 0.00 N ATOM 1493 CA GLU B 162 89.857 0.150 12.816 1.00 0.00 C ATOM 1494 C GLU B 162 90.087 0.870 11.484 1.00 0.00 C ATOM 1495 O GLU B 162 91.207 1.141 11.100 1.00 0.00 O ATOM 1496 CB GLU B 162 90.548 0.897 13.957 1.00 0.00 C ATOM 1497 CG GLU B 162 89.851 0.569 15.279 1.00 0.00 C ATOM 1498 CD GLU B 162 90.538 1.323 16.419 1.00 0.00 C ATOM 1499 OE1 GLU B 162 91.754 1.424 16.388 1.00 0.00 O ATOM 1500 OE2 GLU B 162 89.836 1.787 17.304 1.00 0.00 O1- ATOM 0 H GLU B 162 91.519 -1.190 12.782 1.00 0.00 H new ATOM 0 HA GLU B 162 88.778 0.091 12.962 1.00 0.00 H new ATOM 0 HB2 GLU B 162 91.599 0.613 14.008 1.00 0.00 H new ATOM 0 HB3 GLU B 162 90.517 1.971 13.774 1.00 0.00 H new ATOM 0 HG2 GLU B 162 88.799 0.848 15.226 1.00 0.00 H new ATOM 0 HG3 GLU B 162 89.887 -0.504 15.465 1.00 0.00 H new ATOM 1507 N ALA B 163 89.035 1.183 10.778 1.00 0.00 N ATOM 1508 CA ALA B 163 89.195 1.885 9.474 1.00 0.00 C ATOM 1509 C ALA B 163 88.368 3.174 9.462 1.00 0.00 C ATOM 1510 O ALA B 163 87.328 3.261 10.084 1.00 0.00 O ATOM 1511 CB ALA B 163 88.671 0.903 8.426 1.00 0.00 C ATOM 0 H ALA B 163 88.072 0.983 11.048 1.00 0.00 H new ATOM 0 HA ALA B 163 90.230 2.169 9.284 1.00 0.00 H new ATOM 0 HB1 ALA B 163 88.756 1.349 7.435 1.00 0.00 H new ATOM 0 HB2 ALA B 163 89.258 -0.015 8.462 1.00 0.00 H new ATOM 0 HB3 ALA B 163 87.626 0.674 8.633 1.00 0.00 H new ATOM 1517 N ARG B 164 88.825 4.174 8.760 1.00 0.00 N ATOM 1518 CA ARG B 164 88.069 5.457 8.708 1.00 0.00 C ATOM 1519 C ARG B 164 87.308 5.567 7.382 1.00 0.00 C ATOM 1520 O ARG B 164 87.672 4.946 6.404 1.00 0.00 O ATOM 1521 CB ARG B 164 89.136 6.545 8.809 1.00 0.00 C ATOM 1522 CG ARG B 164 89.639 6.637 10.251 1.00 0.00 C ATOM 1523 CD ARG B 164 88.588 7.337 11.115 1.00 0.00 C ATOM 1524 NE ARG B 164 89.371 8.217 12.029 1.00 0.00 N ATOM 1525 CZ ARG B 164 89.323 8.025 13.320 1.00 0.00 C ATOM 1526 NH1 ARG B 164 88.203 7.666 13.885 1.00 0.00 N ATOM 1527 NH2 ARG B 164 90.397 8.191 14.044 1.00 0.00 N1+ ATOM 0 H ARG B 164 89.690 4.158 8.220 1.00 0.00 H new ATOM 0 HA ARG B 164 87.329 5.537 9.505 1.00 0.00 H new ATOM 0 HB2 ARG B 164 89.965 6.320 8.138 1.00 0.00 H new ATOM 0 HB3 ARG B 164 88.723 7.504 8.495 1.00 0.00 H new ATOM 0 HG2 ARG B 164 89.840 5.639 10.641 1.00 0.00 H new ATOM 0 HG3 ARG B 164 90.579 7.188 10.285 1.00 0.00 H new ATOM 0 HD2 ARG B 164 87.896 7.917 10.504 1.00 0.00 H new ATOM 0 HD3 ARG B 164 87.992 6.616 11.674 1.00 0.00 H new ATOM 0 HE ARG B 164 89.944 8.969 11.646 1.00 0.00 H new ATOM 0 HH11 ARG B 164 87.365 7.535 13.318 1.00 0.00 H new ATOM 0 HH12 ARG B 164 88.166 7.516 14.893 1.00 0.00 H new ATOM 0 HH21 ARG B 164 91.272 8.470 13.601 1.00 0.00 H new ATOM 0 HH22 ARG B 164 90.361 8.041 15.052 1.00 0.00 H new ATOM 1541 N PRO B 165 86.268 6.357 7.400 1.00 0.00 N ATOM 1542 CA PRO B 165 85.439 6.554 6.186 1.00 0.00 C ATOM 1543 C PRO B 165 86.178 7.418 5.162 1.00 0.00 C ATOM 1544 O PRO B 165 86.893 8.337 5.508 1.00 0.00 O ATOM 1545 CB PRO B 165 84.204 7.280 6.710 1.00 0.00 C ATOM 1546 CG PRO B 165 84.662 7.968 7.958 1.00 0.00 C ATOM 1547 CD PRO B 165 85.773 7.135 8.542 1.00 0.00 C ATOM 0 HA PRO B 165 85.200 5.619 5.679 1.00 0.00 H new ATOM 0 HB2 PRO B 165 83.827 7.996 5.980 1.00 0.00 H new ATOM 0 HB3 PRO B 165 83.394 6.581 6.919 1.00 0.00 H new ATOM 0 HG2 PRO B 165 85.013 8.976 7.736 1.00 0.00 H new ATOM 0 HG3 PRO B 165 83.840 8.066 8.667 1.00 0.00 H new ATOM 0 HD2 PRO B 165 86.557 7.759 8.971 1.00 0.00 H new ATOM 0 HD3 PRO B 165 85.410 6.487 9.340 1.00 0.00 H new ATOM 1555 N LEU B 166 86.004 7.134 3.900 1.00 0.00 N ATOM 1556 CA LEU B 166 86.688 7.945 2.855 1.00 0.00 C ATOM 1557 C LEU B 166 85.970 9.286 2.682 1.00 0.00 C ATOM 1558 O LEU B 166 86.540 10.253 2.215 1.00 0.00 O ATOM 1559 CB LEU B 166 86.587 7.112 1.577 1.00 0.00 C ATOM 1560 CG LEU B 166 87.459 5.862 1.714 1.00 0.00 C ATOM 1561 CD1 LEU B 166 87.315 4.999 0.459 1.00 0.00 C ATOM 1562 CD2 LEU B 166 88.923 6.277 1.883 1.00 0.00 C ATOM 0 H LEU B 166 85.418 6.376 3.549 1.00 0.00 H new ATOM 0 HA LEU B 166 87.724 8.167 3.112 1.00 0.00 H new ATOM 0 HB2 LEU B 166 85.550 6.828 1.396 1.00 0.00 H new ATOM 0 HB3 LEU B 166 86.910 7.702 0.719 1.00 0.00 H new ATOM 0 HG LEU B 166 87.140 5.291 2.586 1.00 0.00 H new ATOM 0 HD11 LEU B 166 87.936 4.109 0.556 1.00 0.00 H new ATOM 0 HD12 LEU B 166 86.273 4.703 0.339 1.00 0.00 H new ATOM 0 HD13 LEU B 166 87.633 5.570 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU B 166 89.545 5.387 1.981 1.00 0.00 H new ATOM 0 HD22 LEU B 166 89.242 6.849 1.011 1.00 0.00 H new ATOM 0 HD23 LEU B 166 89.026 6.891 2.777 1.00 0.00 H new