USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 138 LYS NZ :NH3+ -139:sc= 0.0163 (180deg=0) USER MOD Set 1.2: A 140 TYR OH : rot 180:sc= 0.0142 USER MOD Set 2.1: A 134 THR OG1 : rot -89:sc= 1.88 USER MOD Set 2.2: A 136 LYS NZ :NH3+ 152:sc= 0.72 (180deg=-0.463) USER MOD Set 3.1: A 98 HIS : no HD1:sc= 0.931 K(o=2.1,f=-8.2!) USER MOD Set 3.2: A 144 SER OG : rot 87:sc= 1.14 USER MOD Single : A 96 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.025) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0282 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.00725 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 167:sc= -0.143 (180deg=-0.497) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1.9!) USER MOD Single : A 156 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 157 GLN : amide:sc= -0.72 K(o=-0.72,f=0) USER MOD Single : A 158 MET CE :methyl -152:sc= -0.723 (180deg=-2.18!) USER MOD Single : A 161 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.034) USER MOD Single : A 167 GLN : amide:sc= 0.729 K(o=0.73,f=0) USER MOD Single : A 170 THR OG1 : rot 114:sc= 0.443 USER MOD Single : A 171 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.432 13.322 -7.202 1.00 0.00 N ATOM 179 CA HIS A 96 0.740 12.047 -7.283 1.00 0.00 C ATOM 180 C HIS A 96 -0.338 11.932 -6.203 1.00 0.00 C ATOM 181 O HIS A 96 -0.345 12.716 -5.245 1.00 0.00 O ATOM 182 CB HIS A 96 1.803 10.949 -7.133 1.00 0.00 C ATOM 183 CG HIS A 96 2.943 10.997 -8.136 1.00 0.00 C ATOM 184 ND1 HIS A 96 4.142 10.297 -7.994 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.990 11.695 -9.312 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.866 10.552 -9.093 1.00 0.00 C ATOM 187 NE2 HIS A 96 4.210 11.414 -9.886 1.00 0.00 N ATOM 0 HA HIS A 96 0.224 11.950 -8.238 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.223 11.010 -6.129 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.312 9.979 -7.214 1.00 0.00 H new ATOM 0 HD2 HIS A 96 2.221 12.340 -9.712 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.835 10.126 -9.309 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.557 11.797 -10.766 1.00 0.00 H new ATOM 195 N PHE A 97 -1.213 10.938 -6.337 1.00 0.00 N ATOM 196 CA PHE A 97 -2.315 10.664 -5.425 1.00 0.00 C ATOM 197 C PHE A 97 -2.177 9.227 -4.934 1.00 0.00 C ATOM 198 O PHE A 97 -2.278 8.295 -5.736 1.00 0.00 O ATOM 199 CB PHE A 97 -3.656 10.918 -6.133 1.00 0.00 C ATOM 200 CG PHE A 97 -3.865 12.362 -6.549 1.00 0.00 C ATOM 201 CD1 PHE A 97 -3.300 12.840 -7.746 1.00 0.00 C ATOM 202 CD2 PHE A 97 -4.578 13.245 -5.714 1.00 0.00 C ATOM 203 CE1 PHE A 97 -3.418 14.197 -8.087 1.00 0.00 C ATOM 204 CE2 PHE A 97 -4.694 14.603 -6.058 1.00 0.00 C ATOM 205 CZ PHE A 97 -4.115 15.081 -7.245 1.00 0.00 C ATOM 0 H PHE A 97 -1.170 10.278 -7.114 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.287 11.329 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.716 10.283 -7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.468 10.619 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.775 12.162 -8.403 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.036 12.878 -4.808 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.972 14.563 -9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.229 15.280 -5.409 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.205 16.124 -7.510 1.00 0.00 H new ATOM 215 N HIS A 98 -1.908 9.053 -3.637 1.00 0.00 N ATOM 216 CA HIS A 98 -1.745 7.736 -3.037 1.00 0.00 C ATOM 217 C HIS A 98 -3.091 7.148 -2.620 1.00 0.00 C ATOM 218 O HIS A 98 -4.012 7.862 -2.196 1.00 0.00 O ATOM 219 CB HIS A 98 -0.803 7.743 -1.825 1.00 0.00 C ATOM 220 CG HIS A 98 0.479 8.514 -1.970 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.393 8.337 -2.993 1.00 0.00 N ATOM 222 CD2 HIS A 98 0.980 9.426 -1.087 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.433 9.125 -2.701 1.00 0.00 C ATOM 224 NE2 HIS A 98 2.212 9.804 -1.567 1.00 0.00 N ATOM 0 H HIS A 98 -1.798 9.824 -2.978 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.294 7.114 -3.810 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.349 8.148 -0.973 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.553 6.710 -1.582 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.502 9.782 -0.186 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.330 9.204 -3.298 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.844 10.480 -1.137 1.00 0.00 H new ATOM 232 N VAL A 99 -3.138 5.821 -2.630 1.00 0.00 N ATOM 233 CA VAL A 99 -4.243 4.952 -2.306 1.00 0.00 C ATOM 234 C VAL A 99 -3.740 3.903 -1.319 1.00 0.00 C ATOM 235 O VAL A 99 -2.585 3.476 -1.370 1.00 0.00 O ATOM 236 CB VAL A 99 -4.731 4.279 -3.613 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.876 3.290 -3.351 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.192 5.337 -4.624 1.00 0.00 C ATOM 0 H VAL A 99 -2.314 5.280 -2.893 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.071 5.503 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.887 3.725 -4.023 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.190 2.839 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.534 2.510 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.718 3.818 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.531 4.845 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.011 5.915 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.361 6.003 -4.858 1.00 0.00 H new ATOM 248 N PHE A 100 -4.596 3.573 -0.362 1.00 0.00 N ATOM 249 CA PHE A 100 -4.427 2.575 0.673 1.00 0.00 C ATOM 250 C PHE A 100 -5.092 1.308 0.153 1.00 0.00 C ATOM 251 O PHE A 100 -6.218 1.378 -0.349 1.00 0.00 O ATOM 252 CB PHE A 100 -5.101 3.050 1.973 1.00 0.00 C ATOM 253 CG PHE A 100 -5.470 1.915 2.914 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.503 1.161 3.602 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.823 1.525 2.969 1.00 0.00 C ATOM 256 CE1 PHE A 100 -4.902 0.017 4.325 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.217 0.384 3.684 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.252 -0.388 4.346 1.00 0.00 C ATOM 0 H PHE A 100 -5.501 4.038 -0.288 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.375 2.399 0.898 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.431 3.737 2.490 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.001 3.611 1.722 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.464 1.455 3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.568 2.113 2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.165 -0.555 4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.259 0.102 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.541 -1.288 4.869 1.00 0.00 H new ATOM 268 N VAL A 101 -4.403 0.177 0.272 1.00 0.00 N ATOM 269 CA VAL A 101 -4.889 -1.125 -0.143 1.00 0.00 C ATOM 270 C VAL A 101 -4.718 -2.027 1.080 1.00 0.00 C ATOM 271 O VAL A 101 -3.703 -1.938 1.776 1.00 0.00 O ATOM 272 CB VAL A 101 -4.150 -1.645 -1.394 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.900 -2.853 -1.977 1.00 0.00 C ATOM 274 CG2 VAL A 101 -4.024 -0.587 -2.506 1.00 0.00 C ATOM 0 H VAL A 101 -3.465 0.145 0.672 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.933 -1.092 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.147 -1.915 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.374 -3.216 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -4.948 -3.646 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.911 -2.554 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.495 -1.015 -3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.018 -0.268 -2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.469 0.272 -2.129 1.00 0.00 H new ATOM 284 N GLY A 102 -5.689 -2.887 1.368 1.00 0.00 N ATOM 285 CA GLY A 102 -5.640 -3.789 2.508 1.00 0.00 C ATOM 286 C GLY A 102 -6.230 -5.149 2.178 1.00 0.00 C ATOM 287 O GLY A 102 -6.730 -5.363 1.074 1.00 0.00 O ATOM 0 H GLY A 102 -6.539 -2.977 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.606 -3.910 2.831 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.185 -3.349 3.343 1.00 0.00 H new ATOM 291 N ASP A 103 -6.202 -6.015 3.187 1.00 0.00 N ATOM 292 CA ASP A 103 -6.658 -7.410 3.245 1.00 0.00 C ATOM 293 C ASP A 103 -5.957 -8.363 2.265 1.00 0.00 C ATOM 294 O ASP A 103 -6.364 -9.511 2.110 1.00 0.00 O ATOM 295 CB ASP A 103 -8.196 -7.553 3.269 1.00 0.00 C ATOM 296 CG ASP A 103 -8.635 -8.842 3.990 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.007 -9.177 5.032 1.00 0.00 O ATOM 298 OD2 ASP A 103 -9.656 -9.470 3.627 1.00 0.00 O ATOM 0 H ASP A 103 -5.817 -5.729 4.087 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.321 -7.759 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.634 -6.689 3.768 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.577 -7.559 2.248 1.00 0.00 H new ATOM 303 N LEU A 104 -4.875 -7.890 1.638 1.00 0.00 N ATOM 304 CA LEU A 104 -4.052 -8.600 0.667 1.00 0.00 C ATOM 305 C LEU A 104 -3.610 -9.948 1.227 1.00 0.00 C ATOM 306 O LEU A 104 -3.173 -10.019 2.382 1.00 0.00 O ATOM 307 CB LEU A 104 -2.760 -7.808 0.375 1.00 0.00 C ATOM 308 CG LEU A 104 -2.903 -6.331 -0.036 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.551 -5.626 0.118 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.360 -6.200 -1.487 1.00 0.00 C ATOM 0 H LEU A 104 -4.534 -6.944 1.809 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.652 -8.724 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.133 -7.849 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.221 -8.326 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.652 -5.873 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.651 -4.580 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.226 -5.684 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.813 -6.111 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.451 -5.145 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.629 -6.673 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.327 -6.689 -1.610 1.00 0.00 H new ATOM 322 N SER A 105 -3.633 -10.996 0.403 1.00 0.00 N ATOM 323 CA SER A 105 -3.205 -12.327 0.813 1.00 0.00 C ATOM 324 C SER A 105 -1.727 -12.235 1.249 1.00 0.00 C ATOM 325 O SER A 105 -0.988 -11.409 0.698 1.00 0.00 O ATOM 326 CB SER A 105 -3.399 -13.317 -0.347 1.00 0.00 C ATOM 327 OG SER A 105 -4.336 -12.879 -1.309 1.00 0.00 O ATOM 0 H SER A 105 -3.949 -10.943 -0.565 1.00 0.00 H new ATOM 0 HA SER A 105 -3.801 -12.692 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.439 -13.485 -0.836 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.724 -14.277 0.055 1.00 0.00 H new ATOM 0 HG SER A 105 -4.413 -13.549 -2.020 1.00 0.00 H new ATOM 333 N PRO A 106 -1.230 -13.080 2.171 1.00 0.00 N ATOM 334 CA PRO A 106 0.159 -13.000 2.630 1.00 0.00 C ATOM 335 C PRO A 106 1.199 -13.257 1.535 1.00 0.00 C ATOM 336 O PRO A 106 2.357 -12.870 1.689 1.00 0.00 O ATOM 337 CB PRO A 106 0.281 -14.004 3.780 1.00 0.00 C ATOM 338 CG PRO A 106 -0.873 -14.977 3.548 1.00 0.00 C ATOM 339 CD PRO A 106 -1.952 -14.111 2.897 1.00 0.00 C ATOM 0 HA PRO A 106 0.379 -11.982 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.243 -14.515 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.199 -13.512 4.749 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.577 -15.802 2.900 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.221 -15.415 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.577 -14.700 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.612 -13.675 3.647 1.00 0.00 H new ATOM 347 N GLU A 107 0.810 -13.893 0.433 1.00 0.00 N ATOM 348 CA GLU A 107 1.678 -14.203 -0.696 1.00 0.00 C ATOM 349 C GLU A 107 1.851 -13.036 -1.676 1.00 0.00 C ATOM 350 O GLU A 107 2.906 -12.941 -2.304 1.00 0.00 O ATOM 351 CB GLU A 107 1.118 -15.436 -1.418 1.00 0.00 C ATOM 352 CG GLU A 107 -0.312 -15.261 -1.958 1.00 0.00 C ATOM 353 CD GLU A 107 -0.912 -16.572 -2.458 1.00 0.00 C ATOM 354 OE1 GLU A 107 -0.711 -17.603 -1.775 1.00 0.00 O ATOM 355 OE2 GLU A 107 -1.674 -16.558 -3.450 1.00 0.00 O ATOM 0 H GLU A 107 -0.148 -14.216 0.299 1.00 0.00 H new ATOM 0 HA GLU A 107 2.675 -14.403 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.779 -15.687 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.133 -16.282 -0.731 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.946 -14.851 -1.172 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.304 -14.535 -2.771 1.00 0.00 H new ATOM 362 N ILE A 108 0.894 -12.098 -1.703 1.00 0.00 N ATOM 363 CA ILE A 108 0.885 -10.959 -2.615 1.00 0.00 C ATOM 364 C ILE A 108 2.160 -10.145 -2.461 1.00 0.00 C ATOM 365 O ILE A 108 2.574 -9.784 -1.348 1.00 0.00 O ATOM 366 CB ILE A 108 -0.398 -10.115 -2.406 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.677 -10.935 -2.658 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.485 -8.856 -3.281 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.762 -11.598 -4.039 1.00 0.00 C ATOM 0 H ILE A 108 0.090 -12.116 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 108 0.865 -11.317 -3.644 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.327 -9.806 -1.363 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.750 -11.710 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.540 -10.281 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.415 -8.328 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.361 -8.203 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.463 -9.142 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.697 -12.152 -4.120 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.726 -10.832 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.923 -12.282 -4.166 1.00 0.00 H new ATOM 381 N THR A 109 2.779 -9.862 -3.600 1.00 0.00 N ATOM 382 CA THR A 109 4.008 -9.109 -3.694 1.00 0.00 C ATOM 383 C THR A 109 3.679 -7.727 -4.275 1.00 0.00 C ATOM 384 O THR A 109 2.585 -7.485 -4.782 1.00 0.00 O ATOM 385 CB THR A 109 5.034 -9.998 -4.426 1.00 0.00 C ATOM 386 OG1 THR A 109 6.362 -9.592 -4.181 1.00 0.00 O ATOM 387 CG2 THR A 109 4.845 -10.090 -5.935 1.00 0.00 C ATOM 0 H THR A 109 2.423 -10.163 -4.507 1.00 0.00 H new ATOM 0 HA THR A 109 4.489 -8.872 -2.745 1.00 0.00 H new ATOM 0 HB THR A 109 4.847 -10.986 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.979 -10.183 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.613 -10.736 -6.359 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.861 -10.504 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.925 -9.095 -6.373 1.00 0.00 H new ATOM 395 N THR A 110 4.609 -6.781 -4.217 1.00 0.00 N ATOM 396 CA THR A 110 4.392 -5.428 -4.739 1.00 0.00 C ATOM 397 C THR A 110 4.109 -5.433 -6.255 1.00 0.00 C ATOM 398 O THR A 110 3.532 -4.492 -6.805 1.00 0.00 O ATOM 399 CB THR A 110 5.637 -4.623 -4.345 1.00 0.00 C ATOM 400 OG1 THR A 110 5.603 -4.446 -2.939 1.00 0.00 O ATOM 401 CG2 THR A 110 5.759 -3.274 -5.043 1.00 0.00 C ATOM 0 H THR A 110 5.533 -6.925 -3.809 1.00 0.00 H new ATOM 0 HA THR A 110 3.500 -4.967 -4.314 1.00 0.00 H new ATOM 0 HB THR A 110 6.513 -5.186 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.389 -3.935 -2.655 1.00 0.00 H new ATOM 0 HG21 THR A 110 6.666 -2.771 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.806 -3.425 -6.121 1.00 0.00 H new ATOM 0 HG23 THR A 110 4.892 -2.659 -4.800 1.00 0.00 H new ATOM 409 N GLU A 111 4.520 -6.494 -6.939 1.00 0.00 N ATOM 410 CA GLU A 111 4.357 -6.700 -8.367 1.00 0.00 C ATOM 411 C GLU A 111 2.915 -7.083 -8.676 1.00 0.00 C ATOM 412 O GLU A 111 2.392 -6.674 -9.709 1.00 0.00 O ATOM 413 CB GLU A 111 5.309 -7.806 -8.841 1.00 0.00 C ATOM 414 CG GLU A 111 6.716 -7.614 -8.265 1.00 0.00 C ATOM 415 CD GLU A 111 7.685 -8.739 -8.614 1.00 0.00 C ATOM 416 OE1 GLU A 111 7.412 -9.549 -9.527 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.731 -8.841 -7.927 1.00 0.00 O ATOM 0 H GLU A 111 5.000 -7.272 -6.486 1.00 0.00 H new ATOM 0 HA GLU A 111 4.595 -5.775 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 111 4.920 -8.778 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.356 -7.806 -9.930 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.122 -6.671 -8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.646 -7.531 -7.180 1.00 0.00 H new ATOM 424 N ASP A 112 2.284 -7.868 -7.795 1.00 0.00 N ATOM 425 CA ASP A 112 0.892 -8.302 -7.941 1.00 0.00 C ATOM 426 C ASP A 112 0.040 -7.051 -7.979 1.00 0.00 C ATOM 427 O ASP A 112 -0.762 -6.837 -8.877 1.00 0.00 O ATOM 428 CB ASP A 112 0.408 -9.119 -6.745 1.00 0.00 C ATOM 429 CG ASP A 112 0.784 -10.580 -6.803 1.00 0.00 C ATOM 430 OD1 ASP A 112 0.267 -11.292 -7.689 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.582 -10.996 -5.936 1.00 0.00 O ATOM 0 H ASP A 112 2.732 -8.223 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 112 0.818 -8.917 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 112 0.818 -8.685 -5.833 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.677 -9.037 -6.678 1.00 0.00 H new ATOM 436 N ILE A 113 0.260 -6.190 -6.987 1.00 0.00 N ATOM 437 CA ILE A 113 -0.444 -4.936 -6.843 1.00 0.00 C ATOM 438 C ILE A 113 -0.228 -4.091 -8.094 1.00 0.00 C ATOM 439 O ILE A 113 -1.201 -3.608 -8.670 1.00 0.00 O ATOM 440 CB ILE A 113 0.029 -4.235 -5.563 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.236 -5.147 -4.349 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.661 -2.876 -5.428 1.00 0.00 C ATOM 443 CD1 ILE A 113 -0.078 -4.424 -3.021 1.00 0.00 C ATOM 0 H ILE A 113 0.947 -6.356 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.517 -5.100 -6.745 1.00 0.00 H new ATOM 0 HB ILE A 113 1.102 -4.050 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.246 -5.552 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.450 -5.993 -4.380 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.320 -2.384 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.414 -2.256 -6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.741 -3.019 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.277 -5.117 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 113 0.939 -4.042 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.783 -3.594 -2.973 1.00 0.00 H new ATOM 455 N LYS A 114 1.026 -3.873 -8.510 1.00 0.00 N ATOM 456 CA LYS A 114 1.265 -3.080 -9.707 1.00 0.00 C ATOM 457 C LYS A 114 0.462 -3.647 -10.879 1.00 0.00 C ATOM 458 O LYS A 114 -0.227 -2.881 -11.536 1.00 0.00 O ATOM 459 CB LYS A 114 2.760 -3.013 -10.033 1.00 0.00 C ATOM 460 CG LYS A 114 3.412 -1.781 -9.404 1.00 0.00 C ATOM 461 CD LYS A 114 4.924 -1.768 -9.661 1.00 0.00 C ATOM 462 CE LYS A 114 5.718 -2.321 -8.477 1.00 0.00 C ATOM 463 NZ LYS A 114 7.163 -2.426 -8.795 1.00 0.00 N ATOM 0 H LYS A 114 1.864 -4.226 -8.047 1.00 0.00 H new ATOM 0 HA LYS A 114 0.929 -2.059 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.254 -3.914 -9.670 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.898 -2.988 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.962 -0.877 -9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.222 -1.772 -8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.144 -2.358 -10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.247 -0.747 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.581 -1.673 -7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.332 -3.303 -8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.673 -2.804 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.295 -3.063 -9.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.536 -1.484 -9.031 1.00 0.00 H new ATOM 477 N ALA A 115 0.513 -4.958 -11.116 1.00 0.00 N ATOM 478 CA ALA A 115 -0.212 -5.612 -12.201 1.00 0.00 C ATOM 479 C ALA A 115 -1.726 -5.405 -12.081 1.00 0.00 C ATOM 480 O ALA A 115 -2.385 -5.063 -13.064 1.00 0.00 O ATOM 481 CB ALA A 115 0.122 -7.109 -12.220 1.00 0.00 C ATOM 0 H ALA A 115 1.067 -5.602 -10.551 1.00 0.00 H new ATOM 0 HA ALA A 115 0.105 -5.157 -13.139 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.422 -7.593 -13.032 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.193 -7.241 -12.372 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.168 -7.559 -11.270 1.00 0.00 H new ATOM 487 N ALA A 116 -2.281 -5.586 -10.884 1.00 0.00 N ATOM 488 CA ALA A 116 -3.697 -5.449 -10.582 1.00 0.00 C ATOM 489 C ALA A 116 -4.225 -4.050 -10.867 1.00 0.00 C ATOM 490 O ALA A 116 -5.254 -3.904 -11.519 1.00 0.00 O ATOM 491 CB ALA A 116 -3.924 -5.800 -9.114 1.00 0.00 C ATOM 0 H ALA A 116 -1.729 -5.843 -10.066 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.245 -6.131 -11.232 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.983 -5.701 -8.876 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.606 -6.826 -8.932 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.346 -5.124 -8.485 1.00 0.00 H new ATOM 497 N PHE A 117 -3.530 -3.020 -10.380 1.00 0.00 N ATOM 498 CA PHE A 117 -3.928 -1.639 -10.573 1.00 0.00 C ATOM 499 C PHE A 117 -3.432 -1.079 -11.923 1.00 0.00 C ATOM 500 O PHE A 117 -3.863 0.006 -12.309 1.00 0.00 O ATOM 501 CB PHE A 117 -3.467 -0.832 -9.348 1.00 0.00 C ATOM 502 CG PHE A 117 -4.227 -1.145 -8.056 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.916 -2.280 -7.280 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.264 -0.303 -7.615 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.624 -2.576 -6.104 1.00 0.00 C ATOM 506 CE2 PHE A 117 -5.967 -0.581 -6.428 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.652 -1.725 -5.675 1.00 0.00 C ATOM 0 H PHE A 117 -2.672 -3.129 -9.839 1.00 0.00 H new ATOM 0 HA PHE A 117 -5.013 -1.561 -10.640 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.406 -1.019 -9.184 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.573 0.230 -9.568 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -3.117 -2.935 -7.596 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.524 0.569 -8.196 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.377 -3.458 -5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.749 0.085 -6.095 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.199 -1.947 -4.771 1.00 0.00 H new ATOM 517 N ALA A 118 -2.585 -1.794 -12.681 1.00 0.00 N ATOM 518 CA ALA A 118 -2.069 -1.350 -13.980 1.00 0.00 C ATOM 519 C ALA A 118 -3.187 -1.006 -14.977 1.00 0.00 C ATOM 520 O ALA A 118 -3.132 0.090 -15.536 1.00 0.00 O ATOM 521 CB ALA A 118 -1.096 -2.360 -14.601 1.00 0.00 C ATOM 0 H ALA A 118 -2.236 -2.711 -12.401 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.516 -0.434 -13.772 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.744 -1.983 -15.561 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.246 -2.504 -13.934 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.606 -3.312 -14.750 1.00 0.00 H new ATOM 527 N PRO A 119 -4.223 -1.841 -15.210 1.00 0.00 N ATOM 528 CA PRO A 119 -5.289 -1.498 -16.147 1.00 0.00 C ATOM 529 C PRO A 119 -6.149 -0.324 -15.657 1.00 0.00 C ATOM 530 O PRO A 119 -7.035 0.134 -16.383 1.00 0.00 O ATOM 531 CB PRO A 119 -6.099 -2.778 -16.335 1.00 0.00 C ATOM 532 CG PRO A 119 -5.917 -3.511 -15.013 1.00 0.00 C ATOM 533 CD PRO A 119 -4.470 -3.170 -14.668 1.00 0.00 C ATOM 0 HA PRO A 119 -4.881 -1.148 -17.095 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -7.149 -2.563 -16.534 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.730 -3.367 -17.175 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.613 -3.160 -14.251 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -6.071 -4.585 -15.116 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.313 -3.185 -13.589 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.785 -3.900 -15.100 1.00 0.00 H new ATOM 541 N PHE A 120 -5.933 0.160 -14.430 1.00 0.00 N ATOM 542 CA PHE A 120 -6.660 1.284 -13.867 1.00 0.00 C ATOM 543 C PHE A 120 -5.845 2.566 -13.972 1.00 0.00 C ATOM 544 O PHE A 120 -6.434 3.649 -13.900 1.00 0.00 O ATOM 545 CB PHE A 120 -7.059 1.020 -12.419 1.00 0.00 C ATOM 546 CG PHE A 120 -8.130 -0.035 -12.332 1.00 0.00 C ATOM 547 CD1 PHE A 120 -9.472 0.346 -12.506 1.00 0.00 C ATOM 548 CD2 PHE A 120 -7.788 -1.390 -12.177 1.00 0.00 C ATOM 549 CE1 PHE A 120 -10.481 -0.626 -12.510 1.00 0.00 C ATOM 550 CE2 PHE A 120 -8.801 -2.360 -12.188 1.00 0.00 C ATOM 551 CZ PHE A 120 -10.147 -1.976 -12.324 1.00 0.00 C ATOM 0 H PHE A 120 -5.235 -0.230 -13.796 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.573 1.408 -14.449 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.185 0.702 -11.851 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.417 1.943 -11.964 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.725 1.388 -12.637 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.756 -1.681 -12.051 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -11.511 -0.337 -12.656 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.547 -3.405 -12.092 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.926 -2.723 -12.285 1.00 0.00 H new ATOM 561 N GLY A 121 -4.528 2.477 -14.180 1.00 0.00 N ATOM 562 CA GLY A 121 -3.726 3.660 -14.290 1.00 0.00 C ATOM 563 C GLY A 121 -2.235 3.413 -14.290 1.00 0.00 C ATOM 564 O GLY A 121 -1.728 2.294 -14.169 1.00 0.00 O ATOM 0 H GLY A 121 -4.015 1.600 -14.272 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.995 4.181 -15.209 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.970 4.327 -13.463 1.00 0.00 H new ATOM 568 N ARG A 122 -1.535 4.518 -14.494 1.00 0.00 N ATOM 569 CA ARG A 122 -0.096 4.599 -14.530 1.00 0.00 C ATOM 570 C ARG A 122 0.344 4.774 -13.087 1.00 0.00 C ATOM 571 O ARG A 122 -0.049 5.749 -12.446 1.00 0.00 O ATOM 572 CB ARG A 122 0.289 5.770 -15.427 1.00 0.00 C ATOM 573 CG ARG A 122 0.395 5.329 -16.882 1.00 0.00 C ATOM 574 CD ARG A 122 0.596 6.560 -17.757 1.00 0.00 C ATOM 575 NE ARG A 122 -0.651 7.328 -17.904 1.00 0.00 N ATOM 576 CZ ARG A 122 -0.997 8.066 -18.960 1.00 0.00 C ATOM 577 NH1 ARG A 122 -0.213 8.128 -20.034 1.00 0.00 N ATOM 578 NH2 ARG A 122 -2.131 8.746 -18.919 1.00 0.00 N ATOM 0 H ARG A 122 -1.983 5.422 -14.645 1.00 0.00 H new ATOM 0 HA ARG A 122 0.391 3.716 -14.943 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -0.454 6.562 -15.336 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.241 6.187 -15.099 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.228 4.638 -17.007 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.508 4.797 -17.181 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.367 7.196 -17.321 1.00 0.00 H new ATOM 0 HD3 ARG A 122 0.954 6.254 -18.740 1.00 0.00 H new ATOM 0 HE ARG A 122 -1.311 7.293 -17.127 1.00 0.00 H new ATOM 0 HH11 ARG A 122 0.664 7.607 -20.056 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -0.489 8.696 -20.835 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.723 8.700 -18.090 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -2.413 9.316 -19.716 1.00 0.00 H new ATOM 592 N ILE A 123 1.103 3.807 -12.590 1.00 0.00 N ATOM 593 CA ILE A 123 1.628 3.769 -11.236 1.00 0.00 C ATOM 594 C ILE A 123 3.093 4.227 -11.287 1.00 0.00 C ATOM 595 O ILE A 123 3.758 4.116 -12.319 1.00 0.00 O ATOM 596 CB ILE A 123 1.483 2.323 -10.686 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.044 1.760 -10.850 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.885 2.216 -9.204 1.00 0.00 C ATOM 599 CD1 ILE A 123 -0.066 0.251 -10.601 1.00 0.00 C ATOM 0 H ILE A 123 1.380 2.996 -13.143 1.00 0.00 H new ATOM 0 HA ILE A 123 1.081 4.433 -10.566 1.00 0.00 H new ATOM 0 HB ILE A 123 2.167 1.726 -11.289 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.620 2.281 -10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.308 1.978 -11.858 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.766 1.186 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.926 2.518 -9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.249 2.869 -8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.100 -0.065 -10.735 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.571 -0.282 -11.308 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.254 0.026 -9.584 1.00 0.00 H new ATOM 611 N SER A 124 3.623 4.693 -10.156 1.00 0.00 N ATOM 612 CA SER A 124 5.002 5.139 -10.000 1.00 0.00 C ATOM 613 C SER A 124 5.489 4.519 -8.691 1.00 0.00 C ATOM 614 O SER A 124 6.473 3.774 -8.681 1.00 0.00 O ATOM 615 CB SER A 124 5.109 6.669 -10.042 1.00 0.00 C ATOM 616 OG SER A 124 6.441 7.137 -10.097 1.00 0.00 O ATOM 0 H SER A 124 3.082 4.772 -9.295 1.00 0.00 H new ATOM 0 HA SER A 124 5.638 4.814 -10.823 1.00 0.00 H new ATOM 0 HB2 SER A 124 4.565 7.040 -10.911 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.622 7.084 -9.160 1.00 0.00 H new ATOM 0 HG SER A 124 6.443 8.117 -10.123 1.00 0.00 H new ATOM 622 N ASP A 125 4.863 4.884 -7.570 1.00 0.00 N ATOM 623 CA ASP A 125 5.185 4.374 -6.237 1.00 0.00 C ATOM 624 C ASP A 125 4.150 3.321 -5.849 1.00 0.00 C ATOM 625 O ASP A 125 2.958 3.591 -5.953 1.00 0.00 O ATOM 626 CB ASP A 125 5.254 5.521 -5.218 1.00 0.00 C ATOM 627 CG ASP A 125 6.015 5.139 -3.951 1.00 0.00 C ATOM 628 OD1 ASP A 125 7.160 4.637 -4.053 1.00 0.00 O ATOM 629 OD2 ASP A 125 5.563 5.470 -2.835 1.00 0.00 O ATOM 0 H ASP A 125 4.099 5.560 -7.565 1.00 0.00 H new ATOM 0 HA ASP A 125 6.169 3.906 -6.245 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.735 6.383 -5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.242 5.826 -4.951 1.00 0.00 H new ATOM 634 N ALA A 126 4.559 2.116 -5.462 1.00 0.00 N ATOM 635 CA ALA A 126 3.666 1.034 -5.047 1.00 0.00 C ATOM 636 C ALA A 126 4.489 0.121 -4.161 1.00 0.00 C ATOM 637 O ALA A 126 5.651 -0.125 -4.495 1.00 0.00 O ATOM 638 CB ALA A 126 3.139 0.248 -6.254 1.00 0.00 C ATOM 0 H ALA A 126 5.545 1.857 -5.427 1.00 0.00 H new ATOM 0 HA ALA A 126 2.797 1.437 -4.526 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.479 -0.548 -5.910 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.586 0.919 -6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 126 3.977 -0.186 -6.800 1.00 0.00 H new ATOM 644 N ARG A 127 3.938 -0.341 -3.036 1.00 0.00 N ATOM 645 CA ARG A 127 4.662 -1.233 -2.135 1.00 0.00 C ATOM 646 C ARG A 127 3.730 -1.951 -1.175 1.00 0.00 C ATOM 647 O ARG A 127 2.659 -1.441 -0.845 1.00 0.00 O ATOM 648 CB ARG A 127 5.717 -0.445 -1.334 1.00 0.00 C ATOM 649 CG ARG A 127 5.105 0.568 -0.350 1.00 0.00 C ATOM 650 CD ARG A 127 6.194 1.437 0.273 1.00 0.00 C ATOM 651 NE ARG A 127 6.679 2.471 -0.658 1.00 0.00 N ATOM 652 CZ ARG A 127 7.388 3.549 -0.309 1.00 0.00 C ATOM 653 NH1 ARG A 127 7.693 3.766 0.968 1.00 0.00 N ATOM 654 NH2 ARG A 127 7.797 4.399 -1.239 1.00 0.00 N ATOM 0 H ARG A 127 2.993 -0.111 -2.730 1.00 0.00 H new ATOM 0 HA ARG A 127 5.154 -1.984 -2.753 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.341 -1.147 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.370 0.083 -2.029 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.383 1.198 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.561 0.040 0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 127 5.806 1.914 1.173 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.028 0.807 0.581 1.00 0.00 H new ATOM 0 HE ARG A 127 6.456 2.355 -1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.386 3.108 1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.234 4.590 1.230 1.00 0.00 H new ATOM 0 HH21 ARG A 127 7.571 4.230 -2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 127 8.338 5.222 -0.975 1.00 0.00 H new ATOM 668 N VAL A 128 4.197 -3.086 -0.670 1.00 0.00 N ATOM 669 CA VAL A 128 3.517 -3.924 0.299 1.00 0.00 C ATOM 670 C VAL A 128 4.251 -3.658 1.611 1.00 0.00 C ATOM 671 O VAL A 128 5.487 -3.771 1.669 1.00 0.00 O ATOM 672 CB VAL A 128 3.581 -5.403 -0.118 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.134 -6.296 1.040 1.00 0.00 C ATOM 674 CG2 VAL A 128 2.676 -5.691 -1.312 1.00 0.00 C ATOM 0 H VAL A 128 5.106 -3.462 -0.941 1.00 0.00 H new ATOM 0 HA VAL A 128 2.454 -3.699 0.385 1.00 0.00 H new ATOM 0 HB VAL A 128 4.615 -5.614 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.183 -7.341 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.790 -6.137 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.110 -6.047 1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.748 -6.746 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 128 1.645 -5.452 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 128 2.988 -5.081 -2.160 1.00 0.00 H new ATOM 684 N VAL A 129 3.516 -3.217 2.628 1.00 0.00 N ATOM 685 CA VAL A 129 4.071 -2.929 3.939 1.00 0.00 C ATOM 686 C VAL A 129 4.517 -4.255 4.555 1.00 0.00 C ATOM 687 O VAL A 129 3.856 -5.284 4.391 1.00 0.00 O ATOM 688 CB VAL A 129 3.006 -2.231 4.814 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.566 -1.864 6.195 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.479 -0.950 4.147 1.00 0.00 C ATOM 0 H VAL A 129 2.512 -3.050 2.561 1.00 0.00 H new ATOM 0 HA VAL A 129 4.925 -2.256 3.866 1.00 0.00 H new ATOM 0 HB VAL A 129 2.189 -2.944 4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.790 -1.375 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.894 -2.769 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.412 -1.187 6.076 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.732 -0.486 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.304 -0.256 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 129 2.027 -1.199 3.187 1.00 0.00 H new ATOM 700 N LYS A 130 5.644 -4.253 5.264 1.00 0.00 N ATOM 701 CA LYS A 130 6.175 -5.433 5.929 1.00 0.00 C ATOM 702 C LYS A 130 6.518 -5.082 7.360 1.00 0.00 C ATOM 703 O LYS A 130 6.695 -3.913 7.718 1.00 0.00 O ATOM 704 CB LYS A 130 7.376 -6.014 5.176 1.00 0.00 C ATOM 705 CG LYS A 130 6.876 -6.747 3.926 1.00 0.00 C ATOM 706 CD LYS A 130 8.004 -7.030 2.953 1.00 0.00 C ATOM 707 CE LYS A 130 7.471 -7.761 1.716 1.00 0.00 C ATOM 708 NZ LYS A 130 6.985 -6.854 0.657 1.00 0.00 N ATOM 0 H LYS A 130 6.218 -3.420 5.392 1.00 0.00 H new ATOM 0 HA LYS A 130 5.415 -6.214 5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 130 8.065 -5.217 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 130 7.927 -6.700 5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.404 -7.685 4.219 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.112 -6.146 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.479 -6.095 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.769 -7.635 3.439 1.00 0.00 H new ATOM 0 HE2 LYS A 130 8.261 -8.391 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 130 6.659 -8.423 2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 6.640 -7.414 -0.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 6.210 -6.269 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 7.763 -6.239 0.343 1.00 0.00 H new ATOM 722 N ASP A 131 6.521 -6.112 8.187 1.00 0.00 N ATOM 723 CA ASP A 131 6.829 -6.017 9.595 1.00 0.00 C ATOM 724 C ASP A 131 8.304 -5.677 9.733 1.00 0.00 C ATOM 725 O ASP A 131 9.147 -6.395 9.204 1.00 0.00 O ATOM 726 CB ASP A 131 6.538 -7.353 10.263 1.00 0.00 C ATOM 727 CG ASP A 131 6.939 -7.284 11.733 1.00 0.00 C ATOM 728 OD1 ASP A 131 6.605 -6.277 12.396 1.00 0.00 O ATOM 729 OD2 ASP A 131 7.659 -8.203 12.181 1.00 0.00 O ATOM 0 H ASP A 131 6.303 -7.062 7.885 1.00 0.00 H new ATOM 0 HA ASP A 131 6.223 -5.246 10.071 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.478 -7.593 10.175 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.088 -8.150 9.762 1.00 0.00 H new ATOM 734 N MET A 132 8.642 -4.600 10.433 1.00 0.00 N ATOM 735 CA MET A 132 10.036 -4.201 10.602 1.00 0.00 C ATOM 736 C MET A 132 10.877 -5.211 11.393 1.00 0.00 C ATOM 737 O MET A 132 12.098 -5.184 11.262 1.00 0.00 O ATOM 738 CB MET A 132 10.101 -2.807 11.240 1.00 0.00 C ATOM 739 CG MET A 132 9.350 -2.721 12.579 1.00 0.00 C ATOM 740 SD MET A 132 9.329 -1.101 13.391 1.00 0.00 S ATOM 741 CE MET A 132 8.858 -0.015 12.024 1.00 0.00 C ATOM 0 H MET A 132 7.970 -3.986 10.893 1.00 0.00 H new ATOM 0 HA MET A 132 10.480 -4.173 9.607 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.145 -2.534 11.397 1.00 0.00 H new ATOM 0 HB3 MET A 132 9.682 -2.077 10.548 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.319 -3.033 12.413 1.00 0.00 H new ATOM 0 HG3 MET A 132 9.794 -3.441 13.266 1.00 0.00 H new ATOM 0 HE1 MET A 132 8.582 0.964 12.416 1.00 0.00 H new ATOM 0 HE2 MET A 132 9.698 0.092 11.338 1.00 0.00 H new ATOM 0 HE3 MET A 132 8.009 -0.446 11.493 1.00 0.00 H new ATOM 751 N ALA A 133 10.273 -6.103 12.187 1.00 0.00 N ATOM 752 CA ALA A 133 11.029 -7.070 12.976 1.00 0.00 C ATOM 753 C ALA A 133 11.281 -8.398 12.253 1.00 0.00 C ATOM 754 O ALA A 133 12.407 -8.894 12.279 1.00 0.00 O ATOM 755 CB ALA A 133 10.301 -7.294 14.303 1.00 0.00 C ATOM 0 H ALA A 133 9.261 -6.171 12.297 1.00 0.00 H new ATOM 0 HA ALA A 133 12.020 -6.652 13.149 1.00 0.00 H new ATOM 0 HB1 ALA A 133 10.854 -8.015 14.904 1.00 0.00 H new ATOM 0 HB2 ALA A 133 10.230 -6.350 14.843 1.00 0.00 H new ATOM 0 HB3 ALA A 133 9.299 -7.677 14.108 1.00 0.00 H new ATOM 761 N THR A 134 10.284 -8.949 11.562 1.00 0.00 N ATOM 762 CA THR A 134 10.359 -10.237 10.851 1.00 0.00 C ATOM 763 C THR A 134 10.489 -10.111 9.332 1.00 0.00 C ATOM 764 O THR A 134 10.901 -11.041 8.639 1.00 0.00 O ATOM 765 CB THR A 134 9.095 -11.047 11.196 1.00 0.00 C ATOM 766 OG1 THR A 134 7.902 -10.396 10.779 1.00 0.00 O ATOM 767 CG2 THR A 134 8.955 -11.252 12.699 1.00 0.00 C ATOM 0 H THR A 134 9.371 -8.502 11.475 1.00 0.00 H new ATOM 0 HA THR A 134 11.270 -10.736 11.183 1.00 0.00 H new ATOM 0 HB THR A 134 9.218 -11.995 10.672 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.586 -9.804 11.493 1.00 0.00 H new ATOM 0 HG21 THR A 134 8.052 -11.827 12.905 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.824 -11.793 13.075 1.00 0.00 H new ATOM 0 HG23 THR A 134 8.889 -10.283 13.194 1.00 0.00 H new ATOM 775 N GLY A 135 10.130 -8.949 8.799 1.00 0.00 N ATOM 776 CA GLY A 135 10.172 -8.654 7.370 1.00 0.00 C ATOM 777 C GLY A 135 9.066 -9.366 6.590 1.00 0.00 C ATOM 778 O GLY A 135 9.160 -9.487 5.370 1.00 0.00 O ATOM 0 H GLY A 135 9.794 -8.167 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.081 -7.578 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.142 -8.950 6.970 1.00 0.00 H new ATOM 782 N LYS A 136 8.051 -9.888 7.282 1.00 0.00 N ATOM 783 CA LYS A 136 6.924 -10.610 6.701 1.00 0.00 C ATOM 784 C LYS A 136 5.880 -9.608 6.226 1.00 0.00 C ATOM 785 O LYS A 136 5.827 -8.485 6.734 1.00 0.00 O ATOM 786 CB LYS A 136 6.329 -11.579 7.736 1.00 0.00 C ATOM 787 CG LYS A 136 7.314 -12.676 8.180 1.00 0.00 C ATOM 788 CD LYS A 136 6.663 -13.781 9.034 1.00 0.00 C ATOM 789 CE LYS A 136 6.532 -13.531 10.541 1.00 0.00 C ATOM 790 NZ LYS A 136 5.724 -12.347 10.885 1.00 0.00 N ATOM 0 H LYS A 136 7.992 -9.815 8.298 1.00 0.00 H new ATOM 0 HA LYS A 136 7.261 -11.198 5.847 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.008 -11.013 8.611 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.439 -12.048 7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.763 -13.129 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 136 8.123 -12.218 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 136 5.665 -13.968 8.637 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.239 -14.696 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.087 -14.410 11.007 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.528 -13.414 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.286 -12.485 11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 6.335 -11.505 10.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 4.981 -12.214 10.170 1.00 0.00 H new ATOM 804 N SER A 137 5.030 -10.008 5.285 1.00 0.00 N ATOM 805 CA SER A 137 3.990 -9.161 4.724 1.00 0.00 C ATOM 806 C SER A 137 2.988 -8.730 5.797 1.00 0.00 C ATOM 807 O SER A 137 2.428 -9.587 6.488 1.00 0.00 O ATOM 808 CB SER A 137 3.321 -9.912 3.571 1.00 0.00 C ATOM 809 OG SER A 137 2.712 -8.951 2.754 1.00 0.00 O ATOM 0 H SER A 137 5.047 -10.947 4.886 1.00 0.00 H new ATOM 0 HA SER A 137 4.428 -8.241 4.336 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.056 -10.487 3.008 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.583 -10.620 3.949 1.00 0.00 H new ATOM 0 HG SER A 137 2.272 -9.395 1.999 1.00 0.00 H new ATOM 815 N LYS A 138 2.763 -7.420 5.963 1.00 0.00 N ATOM 816 CA LYS A 138 1.802 -6.940 6.976 1.00 0.00 C ATOM 817 C LYS A 138 0.339 -7.212 6.624 1.00 0.00 C ATOM 818 O LYS A 138 -0.468 -7.369 7.540 1.00 0.00 O ATOM 819 CB LYS A 138 1.912 -5.439 7.258 1.00 0.00 C ATOM 820 CG LYS A 138 3.099 -5.105 8.161 1.00 0.00 C ATOM 821 CD LYS A 138 2.792 -3.846 8.972 1.00 0.00 C ATOM 822 CE LYS A 138 4.059 -3.296 9.615 1.00 0.00 C ATOM 823 NZ LYS A 138 3.766 -2.143 10.481 1.00 0.00 N ATOM 0 H LYS A 138 3.220 -6.684 5.424 1.00 0.00 H new ATOM 0 HA LYS A 138 2.084 -7.515 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.012 -4.901 6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.992 -5.091 7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.304 -5.940 8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.995 -4.952 7.559 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.349 -3.089 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 138 2.057 -4.075 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.541 -4.079 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 138 4.764 -2.999 8.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.497 -1.415 10.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 2.837 -1.749 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.757 -2.449 11.475 1.00 0.00 H new ATOM 837 N GLY A 139 -0.018 -7.218 5.342 1.00 0.00 N ATOM 838 CA GLY A 139 -1.374 -7.439 4.850 1.00 0.00 C ATOM 839 C GLY A 139 -1.867 -6.222 4.066 1.00 0.00 C ATOM 840 O GLY A 139 -2.784 -6.339 3.255 1.00 0.00 O ATOM 0 H GLY A 139 0.654 -7.063 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.396 -8.323 4.212 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -2.043 -7.634 5.688 1.00 0.00 H new ATOM 844 N TYR A 140 -1.395 -5.019 4.413 1.00 0.00 N ATOM 845 CA TYR A 140 -1.733 -3.781 3.726 1.00 0.00 C ATOM 846 C TYR A 140 -0.592 -3.312 2.815 1.00 0.00 C ATOM 847 O TYR A 140 0.567 -3.718 2.950 1.00 0.00 O ATOM 848 CB TYR A 140 -2.271 -2.725 4.693 1.00 0.00 C ATOM 849 CG TYR A 140 -1.415 -2.408 5.898 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.481 -3.213 7.054 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.607 -1.259 5.883 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.751 -2.859 8.202 1.00 0.00 C ATOM 853 CE2 TYR A 140 0.125 -0.901 7.025 1.00 0.00 C ATOM 854 CZ TYR A 140 0.039 -1.689 8.194 1.00 0.00 C ATOM 855 OH TYR A 140 0.737 -1.334 9.303 1.00 0.00 O ATOM 0 H TYR A 140 -0.755 -4.883 5.196 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.564 -3.975 3.047 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.428 -1.802 4.135 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.248 -3.054 5.047 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -2.093 -4.103 7.057 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.549 -0.651 4.992 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.794 -3.479 9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.754 -0.023 7.010 1.00 0.00 H new ATOM 0 HH TYR A 140 1.229 -0.505 9.128 1.00 0.00 H new ATOM 865 N GLY A 141 -0.902 -2.382 1.920 1.00 0.00 N ATOM 866 CA GLY A 141 0.012 -1.789 0.967 1.00 0.00 C ATOM 867 C GLY A 141 -0.503 -0.423 0.531 1.00 0.00 C ATOM 868 O GLY A 141 -1.533 0.063 1.010 1.00 0.00 O ATOM 0 H GLY A 141 -1.847 -2.006 1.840 1.00 0.00 H new ATOM 0 HA2 GLY A 141 1.001 -1.688 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 141 0.119 -2.440 0.100 1.00 0.00 H new ATOM 872 N PHE A 142 0.277 0.232 -0.322 1.00 0.00 N ATOM 873 CA PHE A 142 -0.040 1.527 -0.894 1.00 0.00 C ATOM 874 C PHE A 142 0.276 1.485 -2.390 1.00 0.00 C ATOM 875 O PHE A 142 1.115 0.691 -2.834 1.00 0.00 O ATOM 876 CB PHE A 142 0.755 2.640 -0.200 1.00 0.00 C ATOM 877 CG PHE A 142 0.396 2.875 1.257 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.621 3.789 1.594 1.00 0.00 C ATOM 879 CD2 PHE A 142 1.092 2.199 2.279 1.00 0.00 C ATOM 880 CE1 PHE A 142 -0.922 4.047 2.944 1.00 0.00 C ATOM 881 CE2 PHE A 142 0.806 2.472 3.628 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.196 3.399 3.959 1.00 0.00 C ATOM 0 H PHE A 142 1.172 -0.138 -0.641 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.098 1.745 -0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 142 1.816 2.400 -0.263 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.605 3.569 -0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.172 4.293 0.814 1.00 0.00 H new ATOM 0 HD2 PHE A 142 1.847 1.469 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.709 4.741 3.200 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.356 1.969 4.409 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.409 3.615 4.996 1.00 0.00 H new ATOM 892 N VAL A 143 -0.410 2.321 -3.163 1.00 0.00 N ATOM 893 CA VAL A 143 -0.273 2.494 -4.605 1.00 0.00 C ATOM 894 C VAL A 143 -0.399 4.000 -4.807 1.00 0.00 C ATOM 895 O VAL A 143 -1.184 4.647 -4.122 1.00 0.00 O ATOM 896 CB VAL A 143 -1.352 1.716 -5.399 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.211 1.900 -6.915 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.261 0.210 -5.154 1.00 0.00 C ATOM 0 H VAL A 143 -1.124 2.936 -2.773 1.00 0.00 H new ATOM 0 HA VAL A 143 0.672 2.097 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.300 2.122 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.991 1.334 -7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.308 2.957 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.233 1.540 -7.236 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -2.035 -0.300 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.281 -0.151 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.403 0.005 -4.093 1.00 0.00 H new ATOM 908 N SER A 144 0.343 4.567 -5.740 1.00 0.00 N ATOM 909 CA SER A 144 0.358 5.971 -6.066 1.00 0.00 C ATOM 910 C SER A 144 0.226 6.084 -7.574 1.00 0.00 C ATOM 911 O SER A 144 0.914 5.353 -8.292 1.00 0.00 O ATOM 912 CB SER A 144 1.687 6.524 -5.571 1.00 0.00 C ATOM 913 OG SER A 144 1.713 7.934 -5.616 1.00 0.00 O ATOM 0 H SER A 144 0.985 4.026 -6.319 1.00 0.00 H new ATOM 0 HA SER A 144 -0.454 6.532 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 144 1.863 6.189 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.497 6.125 -6.181 1.00 0.00 H new ATOM 0 HG SER A 144 1.341 8.295 -4.784 1.00 0.00 H new ATOM 919 N PHE A 145 -0.630 7.001 -8.028 1.00 0.00 N ATOM 920 CA PHE A 145 -0.884 7.243 -9.439 1.00 0.00 C ATOM 921 C PHE A 145 -0.529 8.683 -9.776 1.00 0.00 C ATOM 922 O PHE A 145 -0.704 9.590 -8.951 1.00 0.00 O ATOM 923 CB PHE A 145 -2.355 6.995 -9.775 1.00 0.00 C ATOM 924 CG PHE A 145 -2.847 5.606 -9.434 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.272 5.312 -8.125 1.00 0.00 C ATOM 926 CD2 PHE A 145 -2.870 4.607 -10.423 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.748 4.031 -7.815 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.364 3.329 -10.118 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.804 3.049 -8.814 1.00 0.00 C ATOM 0 H PHE A 145 -1.173 7.604 -7.410 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.271 6.558 -10.025 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.965 7.725 -9.242 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.507 7.170 -10.840 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -3.231 6.073 -7.360 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.508 4.823 -11.417 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -4.071 3.801 -6.810 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.405 2.566 -10.881 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.189 2.068 -8.579 1.00 0.00 H new ATOM 939 N PHE A 146 -0.081 8.906 -11.013 1.00 0.00 N ATOM 940 CA PHE A 146 0.285 10.237 -11.464 1.00 0.00 C ATOM 941 C PHE A 146 -0.984 11.072 -11.596 1.00 0.00 C ATOM 942 O PHE A 146 -1.011 12.218 -11.149 1.00 0.00 O ATOM 943 CB PHE A 146 1.018 10.235 -12.816 1.00 0.00 C ATOM 944 CG PHE A 146 2.220 9.325 -12.969 1.00 0.00 C ATOM 945 CD1 PHE A 146 2.017 8.003 -13.383 1.00 0.00 C ATOM 946 CD2 PHE A 146 3.535 9.802 -12.825 1.00 0.00 C ATOM 947 CE1 PHE A 146 3.101 7.159 -13.659 1.00 0.00 C ATOM 948 CE2 PHE A 146 4.628 8.961 -13.111 1.00 0.00 C ATOM 949 CZ PHE A 146 4.409 7.643 -13.551 1.00 0.00 C ATOM 0 H PHE A 146 0.035 8.176 -11.716 1.00 0.00 H new ATOM 0 HA PHE A 146 0.970 10.654 -10.726 1.00 0.00 H new ATOM 0 HB2 PHE A 146 0.296 9.968 -13.588 1.00 0.00 H new ATOM 0 HB3 PHE A 146 1.342 11.255 -13.022 1.00 0.00 H new ATOM 0 HD1 PHE A 146 1.010 7.628 -13.491 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.707 10.816 -12.494 1.00 0.00 H new ATOM 0 HE1 PHE A 146 2.927 6.135 -13.955 1.00 0.00 H new ATOM 0 HE2 PHE A 146 5.636 9.329 -12.992 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.246 7.009 -13.804 1.00 0.00 H new ATOM 959 N ASN A 147 -2.009 10.523 -12.253 1.00 0.00 N ATOM 960 CA ASN A 147 -3.279 11.198 -12.475 1.00 0.00 C ATOM 961 C ASN A 147 -4.236 10.846 -11.350 1.00 0.00 C ATOM 962 O ASN A 147 -4.272 9.708 -10.890 1.00 0.00 O ATOM 963 CB ASN A 147 -3.871 10.790 -13.832 1.00 0.00 C ATOM 964 CG ASN A 147 -2.964 11.211 -14.983 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.249 10.408 -15.577 1.00 0.00 O ATOM 966 ND2 ASN A 147 -2.914 12.497 -15.276 1.00 0.00 N ATOM 0 H ASN A 147 -1.974 9.584 -12.649 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.119 12.276 -12.486 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.016 9.710 -13.857 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -4.853 11.247 -13.955 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.278 12.831 -16.000 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.511 13.157 -14.778 1.00 0.00 H new ATOM 973 N LYS A 148 -5.051 11.813 -10.931 1.00 0.00 N ATOM 974 CA LYS A 148 -6.011 11.600 -9.851 1.00 0.00 C ATOM 975 C LYS A 148 -7.082 10.583 -10.245 1.00 0.00 C ATOM 976 O LYS A 148 -7.372 9.663 -9.488 1.00 0.00 O ATOM 977 CB LYS A 148 -6.636 12.940 -9.434 1.00 0.00 C ATOM 978 CG LYS A 148 -7.565 12.703 -8.243 1.00 0.00 C ATOM 979 CD LYS A 148 -8.025 13.986 -7.553 1.00 0.00 C ATOM 980 CE LYS A 148 -8.839 13.556 -6.329 1.00 0.00 C ATOM 981 NZ LYS A 148 -9.273 14.691 -5.492 1.00 0.00 N ATOM 0 H LYS A 148 -5.065 12.754 -11.325 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.480 11.184 -8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -5.856 13.653 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.192 13.372 -10.266 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.441 12.150 -8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -7.053 12.074 -7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.171 14.594 -7.256 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -8.630 14.593 -8.227 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.717 13.001 -6.661 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -8.241 12.874 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -9.818 14.336 -4.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.439 15.208 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -9.868 15.331 -6.056 1.00 0.00 H new ATOM 995 N TRP A 149 -7.616 10.728 -11.451 1.00 0.00 N ATOM 996 CA TRP A 149 -8.661 9.890 -12.033 1.00 0.00 C ATOM 997 C TRP A 149 -8.290 8.411 -12.008 1.00 0.00 C ATOM 998 O TRP A 149 -9.170 7.578 -11.809 1.00 0.00 O ATOM 999 CB TRP A 149 -9.018 10.348 -13.463 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.392 11.629 -13.912 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.480 11.788 -14.896 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -8.544 12.923 -13.279 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.029 13.095 -14.887 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -7.630 13.832 -13.882 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -9.297 13.368 -12.176 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -7.487 15.147 -13.412 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -9.129 14.667 -11.675 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -8.234 15.561 -12.292 1.00 0.00 C ATOM 0 H TRP A 149 -7.318 11.471 -12.083 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.547 10.011 -11.410 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.729 9.561 -14.159 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.101 10.451 -13.531 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.155 11.018 -15.580 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.340 13.469 -15.539 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.010 12.703 -11.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -6.813 15.833 -13.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -9.691 14.984 -10.809 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -8.120 16.564 -11.907 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.014 8.085 -12.219 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.516 6.710 -12.212 1.00 0.00 C ATOM 1021 C ASP A 150 -6.766 6.106 -10.827 1.00 0.00 C ATOM 1022 O ASP A 150 -7.279 4.992 -10.698 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.014 6.680 -12.555 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.682 6.748 -14.051 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.605 6.894 -14.884 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.486 6.677 -14.427 1.00 0.00 O ATOM 0 H ASP A 150 -6.288 8.778 -12.402 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.041 6.124 -12.966 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.527 7.516 -12.053 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.583 5.767 -12.145 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.413 6.866 -9.785 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.586 6.467 -8.403 1.00 0.00 C ATOM 1033 C ALA A 151 -8.072 6.296 -8.097 1.00 0.00 C ATOM 1034 O ALA A 151 -8.459 5.239 -7.601 1.00 0.00 O ATOM 1035 CB ALA A 151 -5.943 7.499 -7.467 1.00 0.00 C ATOM 0 H ALA A 151 -5.993 7.789 -9.891 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.089 5.511 -8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -6.080 7.187 -6.432 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.878 7.574 -7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.414 8.470 -7.618 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.883 7.316 -8.399 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.331 7.345 -8.177 1.00 0.00 C ATOM 1043 C GLU A 152 -10.982 6.072 -8.720 1.00 0.00 C ATOM 1044 O GLU A 152 -11.664 5.351 -7.991 1.00 0.00 O ATOM 1045 CB GLU A 152 -10.947 8.570 -8.888 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.632 9.919 -8.230 1.00 0.00 C ATOM 1047 CD GLU A 152 -11.144 11.139 -8.997 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -11.445 11.028 -10.209 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -11.161 12.227 -8.370 1.00 0.00 O ATOM 0 H GLU A 152 -8.534 8.177 -8.821 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.513 7.410 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.591 8.592 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.029 8.444 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -11.063 9.929 -7.229 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -9.552 10.007 -8.113 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.729 5.799 -10.001 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.244 4.663 -10.748 1.00 0.00 C ATOM 1058 C ASN A 153 -10.999 3.351 -10.011 1.00 0.00 C ATOM 1059 O ASN A 153 -11.939 2.613 -9.714 1.00 0.00 O ATOM 1060 CB ASN A 153 -10.606 4.668 -12.147 1.00 0.00 C ATOM 1061 CG ASN A 153 -11.338 3.801 -13.157 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -11.846 2.735 -12.855 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -11.375 4.235 -14.406 1.00 0.00 N ATOM 0 H ASN A 153 -10.129 6.397 -10.569 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.326 4.751 -10.850 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -10.573 5.693 -12.518 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -9.575 4.325 -12.067 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -11.832 3.676 -15.127 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -10.947 5.129 -14.648 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.734 3.067 -9.692 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.388 1.842 -8.998 1.00 0.00 C ATOM 1072 C ALA A 154 -9.970 1.798 -7.579 1.00 0.00 C ATOM 1073 O ALA A 154 -10.409 0.724 -7.190 1.00 0.00 O ATOM 1074 CB ALA A 154 -7.876 1.645 -8.987 1.00 0.00 C ATOM 0 H ALA A 154 -8.941 3.672 -9.906 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.839 1.014 -9.545 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.633 0.721 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.509 1.587 -10.012 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.403 2.486 -8.479 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.003 2.883 -6.788 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.572 2.843 -5.438 1.00 0.00 C ATOM 1082 C ILE A 155 -11.987 2.269 -5.490 1.00 0.00 C ATOM 1083 O ILE A 155 -12.348 1.439 -4.652 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.584 4.253 -4.793 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.150 4.651 -4.415 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.495 4.295 -3.546 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.018 6.077 -3.865 1.00 0.00 C ATOM 0 H ILE A 155 -9.642 3.796 -7.063 1.00 0.00 H new ATOM 0 HA ILE A 155 -9.946 2.200 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 155 -10.984 4.962 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.775 3.950 -3.670 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.514 4.552 -5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.480 5.298 -3.118 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.515 4.037 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.133 3.580 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -7.975 6.278 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.360 6.790 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.625 6.178 -2.965 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.767 2.756 -6.448 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.142 2.376 -6.671 1.00 0.00 C ATOM 1101 C GLN A 156 -14.242 0.929 -7.150 1.00 0.00 C ATOM 1102 O GLN A 156 -14.816 0.085 -6.458 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.740 3.342 -7.710 1.00 0.00 C ATOM 1104 CG GLN A 156 -14.752 4.809 -7.243 1.00 0.00 C ATOM 1105 CD GLN A 156 -14.705 5.842 -8.358 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -14.407 7.005 -8.083 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -14.994 5.501 -9.598 1.00 0.00 N ATOM 0 H GLN A 156 -12.438 3.455 -7.114 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.700 2.439 -5.737 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.169 3.267 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.760 3.033 -7.939 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.651 4.978 -6.650 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -13.900 4.971 -6.583 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -15.240 4.536 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -14.972 6.202 -10.338 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.700 0.663 -8.336 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.717 -0.618 -9.020 1.00 0.00 C ATOM 1118 C GLN A 157 -12.986 -1.735 -8.276 1.00 0.00 C ATOM 1119 O GLN A 157 -13.618 -2.743 -7.988 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.264 -0.405 -10.473 1.00 0.00 C ATOM 1121 CG GLN A 157 -14.133 0.613 -11.259 1.00 0.00 C ATOM 1122 CD GLN A 157 -15.417 0.048 -11.870 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -15.609 0.103 -13.084 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -16.358 -0.446 -11.077 1.00 0.00 N ATOM 0 H GLN A 157 -13.210 1.380 -8.872 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.739 -0.996 -9.036 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.229 -0.062 -10.474 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.283 -1.363 -10.993 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.399 1.431 -10.589 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.528 1.040 -12.059 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -16.203 -0.494 -10.070 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -17.237 -0.779 -11.474 1.00 0.00 H new ATOM 1133 N MET A 158 -11.697 -1.600 -7.953 1.00 0.00 N ATOM 1134 CA MET A 158 -10.937 -2.645 -7.256 1.00 0.00 C ATOM 1135 C MET A 158 -11.436 -2.924 -5.835 1.00 0.00 C ATOM 1136 O MET A 158 -11.185 -4.012 -5.313 1.00 0.00 O ATOM 1137 CB MET A 158 -9.433 -2.316 -7.212 1.00 0.00 C ATOM 1138 CG MET A 158 -8.748 -2.403 -8.580 1.00 0.00 C ATOM 1139 SD MET A 158 -8.779 -4.040 -9.370 1.00 0.00 S ATOM 1140 CE MET A 158 -8.164 -5.094 -8.041 1.00 0.00 C ATOM 0 H MET A 158 -11.150 -0.766 -8.166 1.00 0.00 H new ATOM 0 HA MET A 158 -11.099 -3.550 -7.842 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.301 -1.311 -6.811 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.939 -3.001 -6.523 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.223 -1.687 -9.250 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.709 -2.093 -8.467 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.667 -5.965 -8.468 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.455 -4.534 -7.431 1.00 0.00 H new ATOM 0 HE3 MET A 158 -8.998 -5.420 -7.420 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.139 -1.989 -5.197 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.646 -2.159 -3.844 1.00 0.00 C ATOM 1152 C GLY A 159 -13.621 -3.323 -3.738 1.00 0.00 C ATOM 1153 O GLY A 159 -14.752 -3.233 -4.214 1.00 0.00 O ATOM 0 H GLY A 159 -12.372 -1.087 -5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.811 -2.323 -3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.142 -1.242 -3.525 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.211 -4.394 -3.061 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.004 -5.598 -2.852 1.00 0.00 C ATOM 1159 C GLY A 160 -13.713 -6.666 -3.899 1.00 0.00 C ATOM 1160 O GLY A 160 -14.299 -7.749 -3.829 1.00 0.00 O ATOM 0 H GLY A 160 -12.288 -4.447 -2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -13.799 -5.999 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.063 -5.343 -2.880 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.898 -6.367 -4.917 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.539 -7.340 -5.942 1.00 0.00 C ATOM 1166 C GLN A 161 -11.504 -8.278 -5.343 1.00 0.00 C ATOM 1167 O GLN A 161 -11.005 -8.042 -4.241 1.00 0.00 O ATOM 1168 CB GLN A 161 -12.010 -6.679 -7.224 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.982 -5.653 -7.805 1.00 0.00 C ATOM 1170 CD GLN A 161 -14.318 -6.220 -8.275 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -14.532 -6.443 -9.462 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -15.271 -6.436 -7.379 1.00 0.00 N ATOM 0 H GLN A 161 -12.474 -5.449 -5.049 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.431 -7.890 -6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -11.059 -6.191 -7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -11.813 -7.449 -7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -13.174 -4.890 -7.051 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -12.500 -5.155 -8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -15.094 -6.251 -6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -16.181 -6.787 -7.677 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.195 -9.349 -6.062 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.224 -10.331 -5.615 1.00 0.00 C ATOM 1183 C TRP A 162 -8.916 -10.086 -6.361 1.00 0.00 C ATOM 1184 O TRP A 162 -8.925 -9.734 -7.547 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.759 -11.764 -5.780 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.040 -12.143 -5.072 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.208 -11.458 -5.072 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.283 -13.284 -4.195 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.172 -12.144 -4.366 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.625 -13.223 -3.713 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.471 -14.315 -3.686 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.108 -14.085 -2.721 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -11.934 -15.186 -2.683 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.239 -15.045 -2.182 1.00 0.00 C ATOM 0 H TRP A 162 -11.611 -9.559 -6.969 1.00 0.00 H new ATOM 0 HA TRP A 162 -10.036 -10.220 -4.547 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -10.904 -11.943 -6.845 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -9.980 -12.449 -5.445 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.363 -10.506 -5.558 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.158 -11.886 -4.332 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.471 -14.440 -4.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.129 -14.012 -2.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.288 -15.961 -2.299 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -13.575 -15.680 -1.376 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.793 -10.265 -5.672 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.430 -10.109 -6.161 1.00 0.00 C ATOM 1207 C LEU A 163 -5.677 -11.354 -5.723 1.00 0.00 C ATOM 1208 O LEU A 163 -5.647 -11.655 -4.528 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.780 -8.847 -5.571 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.259 -8.768 -5.827 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -3.924 -8.879 -7.317 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.715 -7.444 -5.284 1.00 0.00 C ATOM 0 H LEU A 163 -7.815 -10.542 -4.690 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.411 -9.995 -7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.260 -7.966 -5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.963 -8.821 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.793 -9.609 -5.313 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -2.844 -8.819 -7.453 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.285 -9.833 -7.701 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.404 -8.064 -7.859 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.642 -7.390 -5.465 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.210 -6.613 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.905 -7.385 -4.212 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.076 -12.061 -6.680 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.326 -13.275 -6.428 1.00 0.00 C ATOM 1226 C GLY A 164 -5.338 -14.371 -6.116 1.00 0.00 C ATOM 1227 O GLY A 164 -5.693 -15.155 -6.999 1.00 0.00 O ATOM 0 H GLY A 164 -5.101 -11.796 -7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -3.724 -13.543 -7.296 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.639 -13.137 -5.594 1.00 0.00 H new ATOM 1231 N GLY A 165 -5.864 -14.383 -4.893 1.00 0.00 N ATOM 1232 CA GLY A 165 -6.850 -15.340 -4.427 1.00 0.00 C ATOM 1233 C GLY A 165 -7.744 -14.831 -3.293 1.00 0.00 C ATOM 1234 O GLY A 165 -8.630 -15.591 -2.892 1.00 0.00 O ATOM 0 H GLY A 165 -5.603 -13.702 -4.180 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.481 -15.631 -5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.334 -16.239 -4.090 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.568 -13.607 -2.764 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.405 -13.048 -1.684 1.00 0.00 C ATOM 1240 C ARG A 166 -8.903 -11.663 -2.075 1.00 0.00 C ATOM 1241 O ARG A 166 -8.418 -11.089 -3.048 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.626 -12.957 -0.357 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.376 -14.342 0.239 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.511 -14.281 1.501 1.00 0.00 C ATOM 1245 NE ARG A 166 -6.421 -15.589 2.170 1.00 0.00 N ATOM 1246 CZ ARG A 166 -5.729 -16.672 1.792 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -4.928 -16.658 0.736 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -5.846 -17.796 2.481 1.00 0.00 N ATOM 0 H ARG A 166 -6.834 -12.971 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.252 -13.718 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.674 -12.455 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.185 -12.349 0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.331 -14.811 0.477 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -6.888 -14.973 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.510 -13.938 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -6.928 -13.548 2.192 1.00 0.00 H new ATOM 0 HE ARG A 166 -6.955 -15.683 3.034 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -4.825 -15.806 0.185 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -4.415 -17.500 0.474 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -6.460 -17.834 3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -5.322 -18.624 2.199 1.00 0.00 H new ATOM 1262 N GLN A 167 -9.923 -11.163 -1.378 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.472 -9.836 -1.639 1.00 0.00 C ATOM 1264 C GLN A 167 -9.563 -8.779 -1.029 1.00 0.00 C ATOM 1265 O GLN A 167 -8.722 -9.071 -0.182 1.00 0.00 O ATOM 1266 CB GLN A 167 -11.917 -9.681 -1.145 1.00 0.00 C ATOM 1267 CG GLN A 167 -12.871 -10.461 -2.023 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.280 -10.524 -1.448 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -14.523 -11.224 -0.468 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.238 -9.823 -2.035 1.00 0.00 N ATOM 0 H GLN A 167 -10.389 -11.664 -0.621 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.510 -9.700 -2.720 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -11.994 -10.031 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.195 -8.627 -1.145 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -12.906 -10.002 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -12.491 -11.474 -2.155 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -15.023 -9.246 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.191 -9.860 -1.674 1.00 0.00 H new ATOM 1279 N ILE A 168 -9.771 -7.533 -1.447 1.00 0.00 N ATOM 1280 CA ILE A 168 -8.997 -6.390 -0.991 1.00 0.00 C ATOM 1281 C ILE A 168 -9.907 -5.202 -0.685 1.00 0.00 C ATOM 1282 O ILE A 168 -11.037 -5.104 -1.181 1.00 0.00 O ATOM 1283 CB ILE A 168 -7.953 -6.023 -2.075 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.654 -5.594 -3.385 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -6.984 -7.193 -2.320 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.733 -5.157 -4.515 1.00 0.00 C ATOM 0 H ILE A 168 -10.495 -7.289 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.481 -6.650 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.368 -5.177 -1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.263 -6.426 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.335 -4.774 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.260 -6.912 -3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.460 -7.431 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.545 -8.066 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.330 -4.878 -5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.141 -4.301 -4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -7.068 -5.979 -4.780 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.407 -4.271 0.125 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.084 -3.033 0.520 1.00 0.00 C ATOM 1300 C ARG A 169 -9.263 -1.910 -0.101 1.00 0.00 C ATOM 1301 O ARG A 169 -8.037 -2.003 -0.079 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.260 -2.923 2.051 1.00 0.00 C ATOM 1303 CG ARG A 169 -8.992 -3.063 2.897 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.275 -3.165 4.404 1.00 0.00 C ATOM 1305 NE ARG A 169 -9.920 -1.962 4.966 1.00 0.00 N ATOM 1306 CZ ARG A 169 -9.885 -1.576 6.249 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -9.268 -2.306 7.174 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -10.466 -0.440 6.612 1.00 0.00 N ATOM 0 H ARG A 169 -8.481 -4.360 0.543 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.111 -2.991 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.713 -1.957 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.968 -3.688 2.369 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.446 -3.950 2.576 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.344 -2.206 2.713 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.914 -4.029 4.588 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -8.337 -3.344 4.930 1.00 0.00 H new ATOM 0 HE ARG A 169 -10.440 -1.370 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -8.809 -3.179 6.913 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -9.254 -1.993 8.145 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -10.938 0.137 5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -10.441 -0.143 7.588 1.00 0.00 H new ATOM 1322 N THR A 170 -9.893 -0.869 -0.642 1.00 0.00 N ATOM 1323 CA THR A 170 -9.210 0.252 -1.284 1.00 0.00 C ATOM 1324 C THR A 170 -9.863 1.556 -0.854 1.00 0.00 C ATOM 1325 O THR A 170 -11.093 1.657 -0.860 1.00 0.00 O ATOM 1326 CB THR A 170 -9.288 0.123 -2.818 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.614 -0.173 -3.189 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.431 -1.025 -3.348 1.00 0.00 C ATOM 0 H THR A 170 -10.909 -0.779 -0.647 1.00 0.00 H new ATOM 0 HA THR A 170 -8.163 0.244 -0.982 1.00 0.00 H new ATOM 0 HB THR A 170 -8.933 1.067 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.986 0.577 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.520 -1.074 -4.433 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.389 -0.857 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.772 -1.964 -2.913 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.073 2.551 -0.452 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.569 3.861 -0.040 1.00 0.00 C ATOM 1338 C ASN A 171 -8.443 4.876 -0.202 1.00 0.00 C ATOM 1339 O ASN A 171 -7.282 4.502 -0.370 1.00 0.00 O ATOM 1340 CB ASN A 171 -10.045 3.859 1.429 1.00 0.00 C ATOM 1341 CG ASN A 171 -11.366 3.139 1.652 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -11.441 2.182 2.415 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -12.452 3.602 1.056 1.00 0.00 N ATOM 0 H ASN A 171 -8.058 2.467 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.424 4.119 -0.665 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -9.279 3.391 2.047 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -10.143 4.890 1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -13.356 3.163 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -12.386 4.398 0.422 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.759 6.167 -0.125 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.762 7.223 -0.237 1.00 0.00 C ATOM 1352 C TRP A 172 -6.755 7.057 0.901 1.00 0.00 C ATOM 1353 O TRP A 172 -7.159 6.867 2.056 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.440 8.591 -0.155 1.00 0.00 C ATOM 1355 CG TRP A 172 -9.165 9.017 -1.391 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.476 9.333 -1.473 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.615 9.247 -2.722 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.761 9.804 -2.739 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.644 9.790 -3.545 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.339 9.092 -3.306 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.408 10.195 -4.864 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -7.106 9.442 -4.647 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -8.136 9.997 -5.426 1.00 0.00 C ATOM 0 H TRP A 172 -9.710 6.507 0.016 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.248 7.156 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -9.146 8.580 0.675 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.684 9.340 0.080 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -11.192 9.232 -0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.682 10.122 -3.040 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.528 8.698 -2.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.195 10.655 -5.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -6.130 9.284 -5.081 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.950 10.271 -6.454 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.454 7.120 0.605 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.443 6.965 1.643 1.00 0.00 C ATOM 1376 C ALA A 173 -4.486 8.116 2.650 1.00 0.00 C ATOM 1377 O ALA A 173 -4.173 7.902 3.821 1.00 0.00 O ATOM 1378 CB ALA A 173 -3.054 6.865 1.025 1.00 0.00 C ATOM 0 H ALA A 173 -5.084 7.275 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.664 6.042 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.312 6.750 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.013 6.003 0.360 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.842 7.771 0.458 1.00 0.00 H new