USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=12 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 153 ASN : amide:sc= -0.153 K(o=-1.4,f=-2!) USER MOD Set 1.2: A 156 GLN : amide:sc= -1.22 K(o=-1.4,f=-0.17) USER MOD Set 2.1: A 98 HIS : no HD1:sc= -0.638 K(o=-0.79,f=-3.5!) USER MOD Set 2.2: A 144 SER OG : rot 180:sc= -0.148 USER MOD Single : A 96 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.078) USER MOD Single : A 105 SER OG : rot -161:sc= 1.51 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.00111 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 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 180:sc= 0 (180deg=0) USER MOD Single : A 134 THR OG1 : rot -72:sc= 1.14 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 165:sc= 0.525 (180deg=0.343) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 1.14 K(o=1.1,f=-0.002) USER MOD Single : A 148 LYS NZ :NH3+ 147:sc= 1.51 (180deg=0.298) USER MOD Single : A 157 GLN : amide:sc= 0.142 X(o=0.14,f=0) USER MOD Single : A 158 MET CE :methyl -149:sc= -0.449 (180deg=-1.84!) USER MOD Single : A 161 GLN : amide:sc=-0.00717 X(o=-0.0072,f=-0.0072) USER MOD Single : A 167 GLN : amide:sc= 0.689 K(o=0.69,f=0) USER MOD Single : A 170 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 171 ASN : amide:sc= -0.318 K(o=-0.32,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.076 13.749 -6.584 1.00 0.00 N ATOM 179 CA HIS A 96 0.631 12.392 -6.879 1.00 0.00 C ATOM 180 C HIS A 96 -0.561 12.048 -5.986 1.00 0.00 C ATOM 181 O HIS A 96 -0.936 12.819 -5.095 1.00 0.00 O ATOM 182 CB HIS A 96 1.818 11.410 -6.778 1.00 0.00 C ATOM 183 CG HIS A 96 2.716 11.368 -7.998 1.00 0.00 C ATOM 184 ND1 HIS A 96 3.984 10.785 -8.038 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.445 11.891 -9.231 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.444 10.981 -9.283 1.00 0.00 C ATOM 187 NE2 HIS A 96 3.545 11.654 -10.019 1.00 0.00 N ATOM 0 HA HIS A 96 0.276 12.308 -7.906 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.420 11.679 -5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.428 10.408 -6.597 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.538 12.395 -9.529 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.405 10.644 -9.643 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.659 11.939 -10.992 1.00 0.00 H new ATOM 195 N PHE A 97 -1.186 10.899 -6.250 1.00 0.00 N ATOM 196 CA PHE A 97 -2.359 10.448 -5.520 1.00 0.00 C ATOM 197 C PHE A 97 -2.146 9.040 -4.981 1.00 0.00 C ATOM 198 O PHE A 97 -2.237 8.079 -5.747 1.00 0.00 O ATOM 199 CB PHE A 97 -3.580 10.613 -6.444 1.00 0.00 C ATOM 200 CG PHE A 97 -3.673 12.018 -7.018 1.00 0.00 C ATOM 201 CD1 PHE A 97 -2.959 12.348 -8.186 1.00 0.00 C ATOM 202 CD2 PHE A 97 -4.331 13.032 -6.298 1.00 0.00 C ATOM 203 CE1 PHE A 97 -2.867 13.684 -8.604 1.00 0.00 C ATOM 204 CE2 PHE A 97 -4.259 14.366 -6.732 1.00 0.00 C ATOM 205 CZ PHE A 97 -3.524 14.695 -7.883 1.00 0.00 C ATOM 0 H PHE A 97 -0.886 10.255 -6.982 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.542 11.051 -4.631 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.518 9.892 -7.259 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.489 10.388 -5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.481 11.570 -8.762 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -4.893 12.784 -5.410 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.290 13.936 -9.482 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.770 15.141 -6.179 1.00 0.00 H new ATOM 0 HZ PHE A 97 -3.464 15.722 -8.213 1.00 0.00 H new ATOM 215 N HIS A 98 -1.824 8.922 -3.686 1.00 0.00 N ATOM 216 CA HIS A 98 -1.606 7.628 -3.048 1.00 0.00 C ATOM 217 C HIS A 98 -2.949 7.006 -2.691 1.00 0.00 C ATOM 218 O HIS A 98 -3.854 7.688 -2.191 1.00 0.00 O ATOM 219 CB HIS A 98 -0.812 7.723 -1.738 1.00 0.00 C ATOM 220 CG HIS A 98 0.556 8.325 -1.810 1.00 0.00 C ATOM 221 ND1 HIS A 98 1.578 7.843 -2.605 1.00 0.00 N ATOM 222 CD2 HIS A 98 0.995 9.436 -1.149 1.00 0.00 C ATOM 223 CE1 HIS A 98 2.620 8.667 -2.437 1.00 0.00 C ATOM 224 NE2 HIS A 98 2.304 9.624 -1.547 1.00 0.00 N ATOM 0 H HIS A 98 -1.709 9.718 -3.059 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.040 7.033 -3.765 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.400 8.304 -1.028 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.718 6.718 -1.326 1.00 0.00 H new ATOM 0 HD2 HIS A 98 0.433 10.044 -0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 98 3.571 8.577 -2.941 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.926 10.364 -1.221 1.00 0.00 H new ATOM 232 N VAL A 99 -3.022 5.691 -2.805 1.00 0.00 N ATOM 233 CA VAL A 99 -4.173 4.872 -2.517 1.00 0.00 C ATOM 234 C VAL A 99 -3.754 3.819 -1.499 1.00 0.00 C ATOM 235 O VAL A 99 -2.645 3.280 -1.554 1.00 0.00 O ATOM 236 CB VAL A 99 -4.675 4.194 -3.810 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.891 3.318 -3.499 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.065 5.197 -4.901 1.00 0.00 C ATOM 0 H VAL A 99 -2.225 5.138 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.984 5.481 -2.117 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.845 3.596 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.241 2.842 -4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.612 2.552 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.688 3.935 -3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.409 4.659 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.864 5.841 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.199 5.806 -5.162 1.00 0.00 H new ATOM 248 N PHE A 100 -4.609 3.635 -0.503 1.00 0.00 N ATOM 249 CA PHE A 100 -4.510 2.663 0.560 1.00 0.00 C ATOM 250 C PHE A 100 -5.127 1.378 0.029 1.00 0.00 C ATOM 251 O PHE A 100 -6.202 1.424 -0.577 1.00 0.00 O ATOM 252 CB PHE A 100 -5.300 3.160 1.789 1.00 0.00 C ATOM 253 CG PHE A 100 -5.734 2.045 2.726 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.884 1.500 3.702 1.00 0.00 C ATOM 255 CD2 PHE A 100 -7.005 1.475 2.523 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.287 0.360 4.431 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.405 0.344 3.245 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.544 -0.229 4.191 1.00 0.00 C ATOM 0 H PHE A 100 -5.449 4.207 -0.417 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.475 2.505 0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.685 3.870 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.183 3.701 1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.923 1.953 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.679 1.915 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.629 -0.062 5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.380 -0.088 3.073 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.842 -1.115 4.732 1.00 0.00 H new ATOM 268 N VAL A 101 -4.472 0.250 0.288 1.00 0.00 N ATOM 269 CA VAL A 101 -4.931 -1.070 -0.102 1.00 0.00 C ATOM 270 C VAL A 101 -4.765 -1.948 1.137 1.00 0.00 C ATOM 271 O VAL A 101 -3.782 -1.790 1.873 1.00 0.00 O ATOM 272 CB VAL A 101 -4.170 -1.627 -1.324 1.00 0.00 C ATOM 273 CG1 VAL A 101 -4.992 -2.743 -1.972 1.00 0.00 C ATOM 274 CG2 VAL A 101 -3.873 -0.587 -2.408 1.00 0.00 C ATOM 0 H VAL A 101 -3.584 0.234 0.789 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.971 -1.041 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.215 -1.982 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.455 -3.136 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.153 -3.543 -1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.955 -2.346 -2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.337 -1.061 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.809 -0.170 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.261 0.212 -1.988 1.00 0.00 H new ATOM 284 N GLY A 102 -5.696 -2.868 1.377 1.00 0.00 N ATOM 285 CA GLY A 102 -5.673 -3.781 2.509 1.00 0.00 C ATOM 286 C GLY A 102 -6.323 -5.110 2.156 1.00 0.00 C ATOM 287 O GLY A 102 -6.813 -5.278 1.037 1.00 0.00 O ATOM 0 H GLY A 102 -6.507 -3.000 0.772 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.643 -3.949 2.823 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.195 -3.331 3.354 1.00 0.00 H new ATOM 291 N ASP A 103 -6.334 -6.016 3.136 1.00 0.00 N ATOM 292 CA ASP A 103 -6.893 -7.373 3.108 1.00 0.00 C ATOM 293 C ASP A 103 -6.199 -8.312 2.108 1.00 0.00 C ATOM 294 O ASP A 103 -6.709 -9.381 1.780 1.00 0.00 O ATOM 295 CB ASP A 103 -8.431 -7.303 2.987 1.00 0.00 C ATOM 296 CG ASP A 103 -9.079 -7.029 4.343 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.939 -7.868 5.269 1.00 0.00 O ATOM 298 OD2 ASP A 103 -9.725 -5.975 4.521 1.00 0.00 O ATOM 0 H ASP A 103 -5.919 -5.804 4.044 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.673 -7.855 4.061 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.708 -6.518 2.283 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.810 -8.242 2.583 1.00 0.00 H new ATOM 303 N LEU A 104 -5.014 -7.931 1.627 1.00 0.00 N ATOM 304 CA LEU A 104 -4.224 -8.687 0.662 1.00 0.00 C ATOM 305 C LEU A 104 -3.747 -10.011 1.251 1.00 0.00 C ATOM 306 O LEU A 104 -3.404 -10.087 2.437 1.00 0.00 O ATOM 307 CB LEU A 104 -2.956 -7.905 0.258 1.00 0.00 C ATOM 308 CG LEU A 104 -3.167 -6.427 -0.119 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.828 -5.699 -0.239 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.897 -6.323 -1.450 1.00 0.00 C ATOM 0 H LEU A 104 -4.566 -7.059 1.910 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.872 -8.859 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.246 -7.951 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.494 -8.413 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.761 -5.965 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.003 -4.657 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.302 -5.746 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.223 -6.175 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.040 -5.273 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.307 -6.808 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.868 -6.813 -1.372 1.00 0.00 H new ATOM 322 N SER A 105 -3.667 -11.047 0.415 1.00 0.00 N ATOM 323 CA SER A 105 -3.174 -12.348 0.847 1.00 0.00 C ATOM 324 C SER A 105 -1.666 -12.157 1.136 1.00 0.00 C ATOM 325 O SER A 105 -1.026 -11.329 0.475 1.00 0.00 O ATOM 326 CB SER A 105 -3.444 -13.376 -0.265 1.00 0.00 C ATOM 327 OG SER A 105 -3.417 -14.685 0.248 1.00 0.00 O ATOM 0 H SER A 105 -3.939 -11.006 -0.567 1.00 0.00 H new ATOM 0 HA SER A 105 -3.670 -12.723 1.743 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.414 -13.179 -0.721 1.00 0.00 H new ATOM 0 HB3 SER A 105 -2.696 -13.273 -1.051 1.00 0.00 H new ATOM 0 HG SER A 105 -3.283 -15.321 -0.485 1.00 0.00 H new ATOM 333 N PRO A 106 -1.037 -12.895 2.070 1.00 0.00 N ATOM 334 CA PRO A 106 0.387 -12.723 2.367 1.00 0.00 C ATOM 335 C PRO A 106 1.306 -13.083 1.190 1.00 0.00 C ATOM 336 O PRO A 106 2.474 -12.690 1.181 1.00 0.00 O ATOM 337 CB PRO A 106 0.662 -13.572 3.609 1.00 0.00 C ATOM 338 CG PRO A 106 -0.440 -14.626 3.579 1.00 0.00 C ATOM 339 CD PRO A 106 -1.620 -13.903 2.937 1.00 0.00 C ATOM 0 HA PRO A 106 0.612 -11.672 2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 106 1.652 -14.027 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.620 -12.975 4.520 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.142 -15.499 2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.684 -14.978 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.242 -14.595 2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.259 -13.447 3.693 1.00 0.00 H new ATOM 347 N GLU A 107 0.809 -13.809 0.188 1.00 0.00 N ATOM 348 CA GLU A 107 1.568 -14.209 -0.994 1.00 0.00 C ATOM 349 C GLU A 107 1.711 -13.075 -2.021 1.00 0.00 C ATOM 350 O GLU A 107 2.561 -13.166 -2.901 1.00 0.00 O ATOM 351 CB GLU A 107 0.878 -15.424 -1.623 1.00 0.00 C ATOM 352 CG GLU A 107 -0.406 -15.048 -2.374 1.00 0.00 C ATOM 353 CD GLU A 107 -1.369 -16.217 -2.374 1.00 0.00 C ATOM 354 OE1 GLU A 107 -1.162 -17.173 -3.149 1.00 0.00 O ATOM 355 OE2 GLU A 107 -2.282 -16.217 -1.511 1.00 0.00 O ATOM 0 H GLU A 107 -0.155 -14.142 0.177 1.00 0.00 H new ATOM 0 HA GLU A 107 2.581 -14.462 -0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.567 -15.913 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.640 -16.147 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.872 -14.183 -1.903 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.167 -14.763 -3.399 1.00 0.00 H new ATOM 362 N ILE A 108 0.891 -12.027 -1.913 1.00 0.00 N ATOM 363 CA ILE A 108 0.882 -10.890 -2.822 1.00 0.00 C ATOM 364 C ILE A 108 2.138 -10.054 -2.610 1.00 0.00 C ATOM 365 O ILE A 108 2.377 -9.564 -1.502 1.00 0.00 O ATOM 366 CB ILE A 108 -0.435 -10.104 -2.607 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.668 -10.980 -2.897 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.599 -8.824 -3.442 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.613 -11.676 -4.261 1.00 0.00 C ATOM 0 H ILE A 108 0.198 -11.949 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 108 0.905 -11.208 -3.864 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.366 -9.811 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.760 -11.735 -2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.564 -10.361 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.556 -8.358 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.209 -8.131 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.566 -9.075 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.512 -12.276 -4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.552 -10.926 -5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.736 -12.321 -4.305 1.00 0.00 H new ATOM 381 N THR A 109 2.936 -9.879 -3.656 1.00 0.00 N ATOM 382 CA THR A 109 4.166 -9.104 -3.631 1.00 0.00 C ATOM 383 C THR A 109 3.917 -7.709 -4.219 1.00 0.00 C ATOM 384 O THR A 109 2.798 -7.350 -4.594 1.00 0.00 O ATOM 385 CB THR A 109 5.261 -9.915 -4.339 1.00 0.00 C ATOM 386 OG1 THR A 109 6.540 -9.431 -3.992 1.00 0.00 O ATOM 387 CG2 THR A 109 5.144 -9.924 -5.864 1.00 0.00 C ATOM 0 H THR A 109 2.738 -10.285 -4.571 1.00 0.00 H new ATOM 0 HA THR A 109 4.514 -8.925 -2.614 1.00 0.00 H new ATOM 0 HB THR A 109 5.122 -10.940 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.226 -9.960 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.954 -10.518 -6.288 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.187 -10.358 -6.153 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.208 -8.903 -6.240 1.00 0.00 H new ATOM 395 N THR A 110 4.961 -6.884 -4.279 1.00 0.00 N ATOM 396 CA THR A 110 4.873 -5.532 -4.819 1.00 0.00 C ATOM 397 C THR A 110 4.490 -5.567 -6.306 1.00 0.00 C ATOM 398 O THR A 110 3.782 -4.680 -6.788 1.00 0.00 O ATOM 399 CB THR A 110 6.210 -4.829 -4.540 1.00 0.00 C ATOM 400 OG1 THR A 110 6.406 -4.723 -3.139 1.00 0.00 O ATOM 401 CG2 THR A 110 6.282 -3.444 -5.172 1.00 0.00 C ATOM 0 H THR A 110 5.894 -7.137 -3.953 1.00 0.00 H new ATOM 0 HA THR A 110 4.081 -4.960 -4.335 1.00 0.00 H new ATOM 0 HB THR A 110 6.998 -5.434 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.260 -4.276 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.247 -2.990 -4.945 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.167 -3.531 -6.252 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.484 -2.819 -4.771 1.00 0.00 H new ATOM 409 N GLU A 111 4.935 -6.596 -7.025 1.00 0.00 N ATOM 410 CA GLU A 111 4.651 -6.777 -8.438 1.00 0.00 C ATOM 411 C GLU A 111 3.173 -7.113 -8.633 1.00 0.00 C ATOM 412 O GLU A 111 2.554 -6.556 -9.537 1.00 0.00 O ATOM 413 CB GLU A 111 5.556 -7.873 -9.022 1.00 0.00 C ATOM 414 CG GLU A 111 7.032 -7.533 -8.787 1.00 0.00 C ATOM 415 CD GLU A 111 7.965 -8.345 -9.682 1.00 0.00 C ATOM 416 OE1 GLU A 111 8.407 -9.442 -9.260 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.290 -7.838 -10.782 1.00 0.00 O ATOM 0 H GLU A 111 5.513 -7.338 -6.630 1.00 0.00 H new ATOM 0 HA GLU A 111 4.861 -5.850 -8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.320 -8.832 -8.561 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.367 -7.978 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.191 -6.470 -8.970 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.283 -7.718 -7.742 1.00 0.00 H new ATOM 424 N ASP A 112 2.602 -7.973 -7.778 1.00 0.00 N ATOM 425 CA ASP A 112 1.192 -8.378 -7.848 1.00 0.00 C ATOM 426 C ASP A 112 0.313 -7.138 -7.796 1.00 0.00 C ATOM 427 O ASP A 112 -0.588 -6.971 -8.618 1.00 0.00 O ATOM 428 CB ASP A 112 0.769 -9.260 -6.667 1.00 0.00 C ATOM 429 CG ASP A 112 1.144 -10.733 -6.784 1.00 0.00 C ATOM 430 OD1 ASP A 112 0.518 -11.474 -7.568 1.00 0.00 O ATOM 431 OD2 ASP A 112 2.047 -11.173 -6.040 1.00 0.00 O ATOM 0 H ASP A 112 3.112 -8.411 -7.011 1.00 0.00 H new ATOM 0 HA ASP A 112 1.076 -8.939 -8.775 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.217 -8.860 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.312 -9.186 -6.549 1.00 0.00 H new ATOM 436 N ILE A 113 0.574 -6.270 -6.809 1.00 0.00 N ATOM 437 CA ILE A 113 -0.175 -5.038 -6.640 1.00 0.00 C ATOM 438 C ILE A 113 -0.007 -4.208 -7.915 1.00 0.00 C ATOM 439 O ILE A 113 -0.997 -3.809 -8.525 1.00 0.00 O ATOM 440 CB ILE A 113 0.277 -4.258 -5.382 1.00 0.00 C ATOM 441 CG1 ILE A 113 0.039 -5.045 -4.074 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.493 -2.935 -5.320 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.365 -4.229 -2.811 1.00 0.00 C ATOM 0 H ILE A 113 1.308 -6.410 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.229 -5.265 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 113 1.350 -4.088 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.002 -5.365 -4.034 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.650 -5.948 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.184 -2.375 -4.437 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.282 -2.349 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.562 -3.139 -5.264 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.177 -4.837 -1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.413 -3.931 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.264 -3.340 -2.780 1.00 0.00 H new ATOM 455 N LYS A 114 1.231 -3.934 -8.335 1.00 0.00 N ATOM 456 CA LYS A 114 1.461 -3.143 -9.532 1.00 0.00 C ATOM 457 C LYS A 114 0.696 -3.669 -10.735 1.00 0.00 C ATOM 458 O LYS A 114 0.174 -2.835 -11.471 1.00 0.00 O ATOM 459 CB LYS A 114 2.952 -3.023 -9.822 1.00 0.00 C ATOM 460 CG LYS A 114 3.488 -1.738 -9.192 1.00 0.00 C ATOM 461 CD LYS A 114 4.978 -1.588 -9.478 1.00 0.00 C ATOM 462 CE LYS A 114 5.826 -2.122 -8.334 1.00 0.00 C ATOM 463 NZ LYS A 114 7.261 -2.128 -8.699 1.00 0.00 N ATOM 0 H LYS A 114 2.079 -4.248 -7.864 1.00 0.00 H new ATOM 0 HA LYS A 114 1.071 -2.144 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.483 -3.887 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 114 3.125 -3.014 -10.898 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.947 -0.878 -9.587 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.318 -1.754 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 114 5.228 -2.120 -10.396 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.213 -0.537 -9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.675 -1.508 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.507 -3.133 -8.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.820 -2.496 -7.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 7.405 -2.733 -9.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.568 -1.159 -8.918 1.00 0.00 H new ATOM 477 N ALA A 115 0.632 -4.981 -10.944 1.00 0.00 N ATOM 478 CA ALA A 115 -0.094 -5.573 -12.055 1.00 0.00 C ATOM 479 C ALA A 115 -1.597 -5.320 -11.896 1.00 0.00 C ATOM 480 O ALA A 115 -2.253 -4.889 -12.838 1.00 0.00 O ATOM 481 CB ALA A 115 0.191 -7.079 -12.112 1.00 0.00 C ATOM 0 H ALA A 115 1.087 -5.666 -10.340 1.00 0.00 H new ATOM 0 HA ALA A 115 0.237 -5.114 -12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.354 -7.521 -12.946 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.260 -7.242 -12.250 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.130 -7.546 -11.181 1.00 0.00 H new ATOM 487 N ALA A 116 -2.140 -5.537 -10.695 1.00 0.00 N ATOM 488 CA ALA A 116 -3.562 -5.364 -10.407 1.00 0.00 C ATOM 489 C ALA A 116 -4.110 -3.989 -10.779 1.00 0.00 C ATOM 490 O ALA A 116 -5.181 -3.881 -11.376 1.00 0.00 O ATOM 491 CB ALA A 116 -3.807 -5.616 -8.918 1.00 0.00 C ATOM 0 H ALA A 116 -1.596 -5.841 -9.887 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.092 -6.085 -11.029 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -4.867 -5.488 -8.697 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.504 -6.632 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.225 -4.907 -8.329 1.00 0.00 H new ATOM 497 N PHE A 117 -3.382 -2.937 -10.420 1.00 0.00 N ATOM 498 CA PHE A 117 -3.786 -1.565 -10.680 1.00 0.00 C ATOM 499 C PHE A 117 -3.262 -1.028 -12.022 1.00 0.00 C ATOM 500 O PHE A 117 -3.639 0.071 -12.429 1.00 0.00 O ATOM 501 CB PHE A 117 -3.373 -0.732 -9.459 1.00 0.00 C ATOM 502 CG PHE A 117 -4.120 -1.125 -8.187 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.628 -2.144 -7.350 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.347 -0.523 -7.859 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.324 -2.545 -6.203 1.00 0.00 C ATOM 506 CE2 PHE A 117 -6.084 -0.984 -6.751 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.562 -1.971 -5.898 1.00 0.00 C ATOM 0 H PHE A 117 -2.488 -3.016 -9.936 1.00 0.00 H new ATOM 0 HA PHE A 117 -4.867 -1.502 -10.804 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.302 -0.846 -9.294 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.553 0.323 -9.668 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -2.694 -2.627 -7.598 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.725 0.293 -8.457 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -3.904 -3.299 -5.553 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.063 -0.573 -6.554 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.109 -2.282 -5.020 1.00 0.00 H new ATOM 517 N ALA A 118 -2.421 -1.787 -12.732 1.00 0.00 N ATOM 518 CA ALA A 118 -1.842 -1.402 -14.020 1.00 0.00 C ATOM 519 C ALA A 118 -2.879 -1.085 -15.105 1.00 0.00 C ATOM 520 O ALA A 118 -2.712 -0.055 -15.771 1.00 0.00 O ATOM 521 CB ALA A 118 -0.874 -2.472 -14.530 1.00 0.00 C ATOM 0 H ALA A 118 -2.118 -2.709 -12.418 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.303 -0.475 -13.823 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.459 -2.160 -15.488 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.066 -2.605 -13.810 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.407 -3.415 -14.655 1.00 0.00 H new ATOM 527 N PRO A 119 -3.942 -1.886 -15.326 1.00 0.00 N ATOM 528 CA PRO A 119 -4.919 -1.564 -16.356 1.00 0.00 C ATOM 529 C PRO A 119 -5.788 -0.359 -15.972 1.00 0.00 C ATOM 530 O PRO A 119 -6.477 0.168 -16.847 1.00 0.00 O ATOM 531 CB PRO A 119 -5.741 -2.838 -16.559 1.00 0.00 C ATOM 532 CG PRO A 119 -5.700 -3.507 -15.191 1.00 0.00 C ATOM 533 CD PRO A 119 -4.313 -3.139 -14.671 1.00 0.00 C ATOM 0 HA PRO A 119 -4.433 -1.262 -17.284 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.762 -2.612 -16.865 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.310 -3.475 -17.331 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.488 -3.136 -14.536 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.830 -4.587 -15.266 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.324 -3.022 -13.587 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.592 -3.924 -14.900 1.00 0.00 H new ATOM 541 N PHE A 120 -5.668 0.186 -14.754 1.00 0.00 N ATOM 542 CA PHE A 120 -6.491 1.318 -14.336 1.00 0.00 C ATOM 543 C PHE A 120 -5.701 2.599 -14.539 1.00 0.00 C ATOM 544 O PHE A 120 -6.243 3.544 -15.113 1.00 0.00 O ATOM 545 CB PHE A 120 -6.901 1.182 -12.861 1.00 0.00 C ATOM 546 CG PHE A 120 -7.876 0.052 -12.602 1.00 0.00 C ATOM 547 CD1 PHE A 120 -7.408 -1.267 -12.438 1.00 0.00 C ATOM 548 CD2 PHE A 120 -9.261 0.313 -12.573 1.00 0.00 C ATOM 549 CE1 PHE A 120 -8.325 -2.320 -12.288 1.00 0.00 C ATOM 550 CE2 PHE A 120 -10.173 -0.741 -12.398 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.705 -2.057 -12.269 1.00 0.00 C ATOM 0 H PHE A 120 -5.010 -0.141 -14.046 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.400 1.340 -14.937 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -6.007 1.024 -12.258 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.348 2.119 -12.529 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -6.347 -1.468 -12.428 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.621 1.325 -12.685 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -7.969 -3.334 -12.187 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -11.233 -0.538 -12.363 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.407 -2.870 -12.155 1.00 0.00 H new ATOM 561 N GLY A 121 -4.422 2.641 -14.169 1.00 0.00 N ATOM 562 CA GLY A 121 -3.615 3.824 -14.351 1.00 0.00 C ATOM 563 C GLY A 121 -2.146 3.481 -14.222 1.00 0.00 C ATOM 564 O GLY A 121 -1.767 2.401 -13.764 1.00 0.00 O ATOM 0 H GLY A 121 -3.929 1.858 -13.739 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.810 4.258 -15.332 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.887 4.576 -13.610 1.00 0.00 H new ATOM 568 N ARG A 122 -1.312 4.404 -14.687 1.00 0.00 N ATOM 569 CA ARG A 122 0.128 4.258 -14.627 1.00 0.00 C ATOM 570 C ARG A 122 0.529 4.649 -13.214 1.00 0.00 C ATOM 571 O ARG A 122 0.245 5.755 -12.745 1.00 0.00 O ATOM 572 CB ARG A 122 0.799 5.096 -15.706 1.00 0.00 C ATOM 573 CG ARG A 122 0.772 4.368 -17.053 1.00 0.00 C ATOM 574 CD ARG A 122 0.931 5.346 -18.219 1.00 0.00 C ATOM 575 NE ARG A 122 1.326 4.660 -19.459 1.00 0.00 N ATOM 576 CZ ARG A 122 0.597 3.815 -20.197 1.00 0.00 C ATOM 577 NH1 ARG A 122 -0.672 3.562 -19.912 1.00 0.00 N ATOM 578 NH2 ARG A 122 1.157 3.198 -21.229 1.00 0.00 N ATOM 0 H ARG A 122 -1.622 5.276 -15.117 1.00 0.00 H new ATOM 0 HA ARG A 122 0.453 3.237 -14.828 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.291 6.056 -15.796 1.00 0.00 H new ATOM 0 HB3 ARG A 122 1.830 5.306 -15.421 1.00 0.00 H new ATOM 0 HG2 ARG A 122 1.572 3.628 -17.085 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -0.168 3.826 -17.157 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -0.008 5.875 -18.380 1.00 0.00 H new ATOM 0 HD3 ARG A 122 1.680 6.096 -17.964 1.00 0.00 H new ATOM 0 HE ARG A 122 2.269 4.852 -19.797 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -1.116 4.016 -19.113 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -1.205 2.913 -20.491 1.00 0.00 H new ATOM 0 HH21 ARG A 122 2.137 3.369 -21.455 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.608 2.552 -21.796 1.00 0.00 H new ATOM 592 N ILE A 123 1.107 3.678 -12.530 1.00 0.00 N ATOM 593 CA ILE A 123 1.568 3.759 -11.162 1.00 0.00 C ATOM 594 C ILE A 123 2.992 4.319 -11.182 1.00 0.00 C ATOM 595 O ILE A 123 3.709 4.225 -12.185 1.00 0.00 O ATOM 596 CB ILE A 123 1.497 2.336 -10.549 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.122 1.650 -10.801 1.00 0.00 C ATOM 598 CG2 ILE A 123 1.816 2.331 -9.049 1.00 0.00 C ATOM 599 CD1 ILE A 123 0.068 0.174 -10.402 1.00 0.00 C ATOM 0 H ILE A 123 1.275 2.760 -12.941 1.00 0.00 H new ATOM 0 HA ILE A 123 0.953 4.419 -10.550 1.00 0.00 H new ATOM 0 HB ILE A 123 2.265 1.758 -11.063 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.647 2.191 -10.249 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.125 1.737 -11.859 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.753 1.312 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.823 2.717 -8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.099 2.961 -8.522 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.925 -0.223 -10.612 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.810 -0.384 -10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.280 0.077 -9.337 1.00 0.00 H new ATOM 611 N SER A 124 3.419 4.885 -10.058 1.00 0.00 N ATOM 612 CA SER A 124 4.742 5.448 -9.877 1.00 0.00 C ATOM 613 C SER A 124 5.368 4.755 -8.673 1.00 0.00 C ATOM 614 O SER A 124 6.363 4.038 -8.801 1.00 0.00 O ATOM 615 CB SER A 124 4.651 6.974 -9.741 1.00 0.00 C ATOM 616 OG SER A 124 5.916 7.552 -9.992 1.00 0.00 O ATOM 0 H SER A 124 2.833 4.964 -9.227 1.00 0.00 H new ATOM 0 HA SER A 124 5.385 5.275 -10.740 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.915 7.368 -10.442 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.311 7.240 -8.740 1.00 0.00 H new ATOM 0 HG SER A 124 5.853 8.526 -9.906 1.00 0.00 H new ATOM 622 N ASP A 125 4.838 5.041 -7.488 1.00 0.00 N ATOM 623 CA ASP A 125 5.274 4.491 -6.212 1.00 0.00 C ATOM 624 C ASP A 125 4.294 3.390 -5.819 1.00 0.00 C ATOM 625 O ASP A 125 3.090 3.616 -5.932 1.00 0.00 O ATOM 626 CB ASP A 125 5.336 5.623 -5.175 1.00 0.00 C ATOM 627 CG ASP A 125 6.136 5.209 -3.951 1.00 0.00 C ATOM 628 OD1 ASP A 125 7.298 4.788 -4.138 1.00 0.00 O ATOM 629 OD2 ASP A 125 5.627 5.305 -2.814 1.00 0.00 O ATOM 0 H ASP A 125 4.059 5.691 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 125 6.272 4.056 -6.274 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.788 6.507 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.325 5.900 -4.875 1.00 0.00 H new ATOM 634 N ALA A 126 4.748 2.194 -5.449 1.00 0.00 N ATOM 635 CA ALA A 126 3.870 1.097 -5.045 1.00 0.00 C ATOM 636 C ALA A 126 4.678 0.095 -4.244 1.00 0.00 C ATOM 637 O ALA A 126 5.809 -0.217 -4.626 1.00 0.00 O ATOM 638 CB ALA A 126 3.267 0.387 -6.261 1.00 0.00 C ATOM 0 H ALA A 126 5.740 1.957 -5.421 1.00 0.00 H new ATOM 0 HA ALA A 126 3.056 1.509 -4.449 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.620 -0.423 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.684 1.099 -6.846 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.068 -0.021 -6.878 1.00 0.00 H new ATOM 644 N ARG A 127 4.109 -0.419 -3.152 1.00 0.00 N ATOM 645 CA ARG A 127 4.783 -1.399 -2.311 1.00 0.00 C ATOM 646 C ARG A 127 3.795 -2.148 -1.437 1.00 0.00 C ATOM 647 O ARG A 127 2.619 -1.790 -1.335 1.00 0.00 O ATOM 648 CB ARG A 127 5.837 -0.713 -1.411 1.00 0.00 C ATOM 649 CG ARG A 127 5.238 0.067 -0.218 1.00 0.00 C ATOM 650 CD ARG A 127 6.288 0.467 0.817 1.00 0.00 C ATOM 651 NE ARG A 127 6.990 -0.699 1.384 1.00 0.00 N ATOM 652 CZ ARG A 127 7.952 -0.659 2.309 1.00 0.00 C ATOM 653 NH1 ARG A 127 8.261 0.482 2.915 1.00 0.00 N ATOM 654 NH2 ARG A 127 8.589 -1.781 2.613 1.00 0.00 N ATOM 0 H ARG A 127 3.174 -0.167 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 127 5.277 -2.110 -2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.521 -1.471 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.428 -0.028 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 127 4.741 0.963 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.475 -0.545 0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 127 7.014 1.135 0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 127 5.808 1.025 1.621 1.00 0.00 H new ATOM 0 HE ARG A 127 6.716 -1.619 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 127 7.762 1.338 2.675 1.00 0.00 H new ATOM 0 HH12 ARG A 127 8.998 0.502 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.341 -2.652 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.327 -1.774 3.317 1.00 0.00 H new ATOM 668 N VAL A 128 4.322 -3.152 -0.753 1.00 0.00 N ATOM 669 CA VAL A 128 3.610 -3.982 0.192 1.00 0.00 C ATOM 670 C VAL A 128 4.182 -3.571 1.547 1.00 0.00 C ATOM 671 O VAL A 128 5.383 -3.300 1.669 1.00 0.00 O ATOM 672 CB VAL A 128 3.863 -5.469 -0.100 1.00 0.00 C ATOM 673 CG1 VAL A 128 3.130 -6.328 0.926 1.00 0.00 C ATOM 674 CG2 VAL A 128 3.361 -5.878 -1.481 1.00 0.00 C ATOM 0 H VAL A 128 5.302 -3.418 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 128 2.529 -3.852 0.147 1.00 0.00 H new ATOM 0 HB VAL A 128 4.941 -5.620 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 128 3.312 -7.382 0.715 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.493 -6.090 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.060 -6.127 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.562 -6.937 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.288 -5.698 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.874 -5.291 -2.243 1.00 0.00 H new ATOM 684 N VAL A 129 3.332 -3.445 2.561 1.00 0.00 N ATOM 685 CA VAL A 129 3.794 -3.085 3.885 1.00 0.00 C ATOM 686 C VAL A 129 4.200 -4.374 4.583 1.00 0.00 C ATOM 687 O VAL A 129 3.480 -5.372 4.565 1.00 0.00 O ATOM 688 CB VAL A 129 2.697 -2.356 4.686 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.190 -2.017 6.104 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.286 -1.063 3.979 1.00 0.00 C ATOM 0 H VAL A 129 2.325 -3.587 2.486 1.00 0.00 H new ATOM 0 HA VAL A 129 4.637 -2.397 3.814 1.00 0.00 H new ATOM 0 HB VAL A 129 1.838 -3.023 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.400 -1.503 6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.454 -2.936 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.066 -1.371 6.040 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.511 -0.562 4.559 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.152 -0.407 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.902 -1.297 2.986 1.00 0.00 H new ATOM 700 N LYS A 130 5.361 -4.357 5.222 1.00 0.00 N ATOM 701 CA LYS A 130 5.873 -5.477 5.992 1.00 0.00 C ATOM 702 C LYS A 130 6.127 -4.948 7.381 1.00 0.00 C ATOM 703 O LYS A 130 6.103 -3.736 7.641 1.00 0.00 O ATOM 704 CB LYS A 130 7.138 -6.085 5.382 1.00 0.00 C ATOM 705 CG LYS A 130 6.795 -6.987 4.190 1.00 0.00 C ATOM 706 CD LYS A 130 8.047 -7.219 3.369 1.00 0.00 C ATOM 707 CE LYS A 130 7.797 -8.082 2.130 1.00 0.00 C ATOM 708 NZ LYS A 130 9.029 -8.385 1.383 1.00 0.00 N ATOM 0 H LYS A 130 5.983 -3.549 5.219 1.00 0.00 H new ATOM 0 HA LYS A 130 5.150 -6.293 6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 130 7.809 -5.289 5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 130 7.669 -6.662 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.394 -7.938 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.023 -6.522 3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.455 -6.257 3.059 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.801 -7.699 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.324 -9.016 2.434 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.096 -7.569 1.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.798 -8.971 0.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.470 -7.498 1.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.690 -8.900 1.999 1.00 0.00 H new ATOM 722 N ASP A 131 6.288 -5.855 8.320 1.00 0.00 N ATOM 723 CA ASP A 131 6.555 -5.484 9.690 1.00 0.00 C ATOM 724 C ASP A 131 8.000 -5.027 9.826 1.00 0.00 C ATOM 725 O ASP A 131 8.881 -5.551 9.150 1.00 0.00 O ATOM 726 CB ASP A 131 6.290 -6.683 10.575 1.00 0.00 C ATOM 727 CG ASP A 131 6.609 -6.363 12.026 1.00 0.00 C ATOM 728 OD1 ASP A 131 6.495 -5.186 12.439 1.00 0.00 O ATOM 729 OD2 ASP A 131 7.010 -7.315 12.723 1.00 0.00 O ATOM 0 H ASP A 131 6.238 -6.861 8.157 1.00 0.00 H new ATOM 0 HA ASP A 131 5.907 -4.661 9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.246 -6.984 10.485 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.894 -7.527 10.243 1.00 0.00 H new ATOM 734 N MET A 132 8.257 -4.015 10.648 1.00 0.00 N ATOM 735 CA MET A 132 9.606 -3.528 10.868 1.00 0.00 C ATOM 736 C MET A 132 10.369 -4.498 11.779 1.00 0.00 C ATOM 737 O MET A 132 11.579 -4.655 11.628 1.00 0.00 O ATOM 738 CB MET A 132 9.582 -2.100 11.438 1.00 0.00 C ATOM 739 CG MET A 132 8.907 -1.990 12.806 1.00 0.00 C ATOM 740 SD MET A 132 8.801 -0.306 13.470 1.00 0.00 S ATOM 741 CE MET A 132 7.336 0.280 12.588 1.00 0.00 C ATOM 0 H MET A 132 7.540 -3.516 11.174 1.00 0.00 H new ATOM 0 HA MET A 132 10.132 -3.482 9.914 1.00 0.00 H new ATOM 0 HB2 MET A 132 10.606 -1.734 11.518 1.00 0.00 H new ATOM 0 HB3 MET A 132 9.065 -1.447 10.735 1.00 0.00 H new ATOM 0 HG2 MET A 132 7.900 -2.400 12.732 1.00 0.00 H new ATOM 0 HG3 MET A 132 9.453 -2.611 13.516 1.00 0.00 H new ATOM 0 HE1 MET A 132 7.124 1.309 12.879 1.00 0.00 H new ATOM 0 HE2 MET A 132 7.516 0.236 11.514 1.00 0.00 H new ATOM 0 HE3 MET A 132 6.484 -0.351 12.839 1.00 0.00 H new ATOM 751 N ALA A 133 9.675 -5.204 12.680 1.00 0.00 N ATOM 752 CA ALA A 133 10.323 -6.117 13.605 1.00 0.00 C ATOM 753 C ALA A 133 10.645 -7.495 13.033 1.00 0.00 C ATOM 754 O ALA A 133 11.776 -7.947 13.198 1.00 0.00 O ATOM 755 CB ALA A 133 9.474 -6.240 14.869 1.00 0.00 C ATOM 0 H ALA A 133 8.661 -5.154 12.781 1.00 0.00 H new ATOM 0 HA ALA A 133 11.296 -5.681 13.832 1.00 0.00 H new ATOM 0 HB1 ALA A 133 9.957 -6.925 15.566 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.371 -5.260 15.335 1.00 0.00 H new ATOM 0 HB3 ALA A 133 8.487 -6.623 14.609 1.00 0.00 H new ATOM 761 N THR A 134 9.710 -8.120 12.320 1.00 0.00 N ATOM 762 CA THR A 134 9.857 -9.463 11.747 1.00 0.00 C ATOM 763 C THR A 134 10.094 -9.479 10.244 1.00 0.00 C ATOM 764 O THR A 134 10.531 -10.481 9.682 1.00 0.00 O ATOM 765 CB THR A 134 8.581 -10.259 12.056 1.00 0.00 C ATOM 766 OG1 THR A 134 7.439 -9.642 11.493 1.00 0.00 O ATOM 767 CG2 THR A 134 8.352 -10.364 13.557 1.00 0.00 C ATOM 0 H THR A 134 8.804 -7.698 12.118 1.00 0.00 H new ATOM 0 HA THR A 134 10.744 -9.905 12.200 1.00 0.00 H new ATOM 0 HB THR A 134 8.722 -11.249 11.623 1.00 0.00 H new ATOM 0 HG1 THR A 134 7.228 -8.826 11.993 1.00 0.00 H new ATOM 0 HG21 THR A 134 7.442 -10.933 13.747 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.199 -10.870 14.020 1.00 0.00 H new ATOM 0 HG23 THR A 134 8.251 -9.365 13.980 1.00 0.00 H new ATOM 775 N GLY A 135 9.775 -8.378 9.572 1.00 0.00 N ATOM 776 CA GLY A 135 9.947 -8.260 8.126 1.00 0.00 C ATOM 777 C GLY A 135 8.945 -9.084 7.313 1.00 0.00 C ATOM 778 O GLY A 135 9.143 -9.284 6.118 1.00 0.00 O ATOM 0 H GLY A 135 9.390 -7.542 10.013 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.854 -7.211 7.843 1.00 0.00 H new ATOM 0 HA3 GLY A 135 10.958 -8.573 7.863 1.00 0.00 H new ATOM 782 N LYS A 136 7.894 -9.605 7.948 1.00 0.00 N ATOM 783 CA LYS A 136 6.867 -10.423 7.312 1.00 0.00 C ATOM 784 C LYS A 136 5.799 -9.531 6.698 1.00 0.00 C ATOM 785 O LYS A 136 5.582 -8.415 7.183 1.00 0.00 O ATOM 786 CB LYS A 136 6.226 -11.346 8.360 1.00 0.00 C ATOM 787 CG LYS A 136 7.182 -12.436 8.872 1.00 0.00 C ATOM 788 CD LYS A 136 6.444 -13.454 9.752 1.00 0.00 C ATOM 789 CE LYS A 136 6.083 -12.881 11.127 1.00 0.00 C ATOM 790 NZ LYS A 136 4.989 -13.653 11.747 1.00 0.00 N ATOM 0 H LYS A 136 7.732 -9.464 8.945 1.00 0.00 H new ATOM 0 HA LYS A 136 7.324 -11.024 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.885 -10.746 9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.344 -11.819 7.928 1.00 0.00 H new ATOM 0 HG2 LYS A 136 7.640 -12.948 8.026 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.989 -11.977 9.442 1.00 0.00 H new ATOM 0 HD2 LYS A 136 5.535 -13.777 9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.068 -14.338 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.959 -12.899 11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.785 -11.838 11.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 4.761 -13.247 12.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 4.148 -13.614 11.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 5.286 -14.643 11.865 1.00 0.00 H new ATOM 804 N SER A 137 5.098 -10.035 5.682 1.00 0.00 N ATOM 805 CA SER A 137 4.036 -9.318 4.995 1.00 0.00 C ATOM 806 C SER A 137 2.974 -8.925 6.008 1.00 0.00 C ATOM 807 O SER A 137 2.507 -9.773 6.775 1.00 0.00 O ATOM 808 CB SER A 137 3.419 -10.173 3.877 1.00 0.00 C ATOM 809 OG SER A 137 2.831 -9.290 2.943 1.00 0.00 O ATOM 0 H SER A 137 5.259 -10.971 5.310 1.00 0.00 H new ATOM 0 HA SER A 137 4.454 -8.425 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.182 -10.786 3.397 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.672 -10.855 4.283 1.00 0.00 H new ATOM 0 HG SER A 137 2.429 -9.806 2.214 1.00 0.00 H new ATOM 815 N LYS A 138 2.623 -7.642 6.067 1.00 0.00 N ATOM 816 CA LYS A 138 1.570 -7.214 7.003 1.00 0.00 C ATOM 817 C LYS A 138 0.212 -7.740 6.528 1.00 0.00 C ATOM 818 O LYS A 138 -0.422 -8.566 7.190 1.00 0.00 O ATOM 819 CB LYS A 138 1.565 -5.697 7.234 1.00 0.00 C ATOM 820 CG LYS A 138 2.713 -5.324 8.188 1.00 0.00 C ATOM 821 CD LYS A 138 2.202 -4.446 9.330 1.00 0.00 C ATOM 822 CE LYS A 138 3.325 -3.964 10.246 1.00 0.00 C ATOM 823 NZ LYS A 138 4.132 -2.896 9.617 1.00 0.00 N ATOM 0 H LYS A 138 3.032 -6.898 5.501 1.00 0.00 H new ATOM 0 HA LYS A 138 1.784 -7.649 7.979 1.00 0.00 H new ATOM 0 HB2 LYS A 138 1.680 -5.173 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 138 0.610 -5.385 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.165 -6.230 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 138 3.493 -4.797 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 138 1.681 -3.583 8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.474 -5.006 9.917 1.00 0.00 H new ATOM 0 HE2 LYS A 138 2.899 -3.595 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.971 -4.804 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 4.709 -2.424 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 4.755 -3.311 8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.500 -2.201 9.170 1.00 0.00 H new ATOM 837 N GLY A 139 -0.239 -7.247 5.386 1.00 0.00 N ATOM 838 CA GLY A 139 -1.487 -7.558 4.702 1.00 0.00 C ATOM 839 C GLY A 139 -1.962 -6.349 3.890 1.00 0.00 C ATOM 840 O GLY A 139 -2.875 -6.468 3.078 1.00 0.00 O ATOM 0 H GLY A 139 0.306 -6.558 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -1.345 -8.415 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -2.249 -7.838 5.430 1.00 0.00 H new ATOM 844 N TYR A 140 -1.463 -5.147 4.196 1.00 0.00 N ATOM 845 CA TYR A 140 -1.787 -3.913 3.496 1.00 0.00 C ATOM 846 C TYR A 140 -0.669 -3.467 2.535 1.00 0.00 C ATOM 847 O TYR A 140 0.479 -3.901 2.648 1.00 0.00 O ATOM 848 CB TYR A 140 -2.293 -2.867 4.489 1.00 0.00 C ATOM 849 CG TYR A 140 -1.492 -2.601 5.746 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.654 -3.411 6.887 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.703 -1.446 5.824 1.00 0.00 C ATOM 852 CE1 TYR A 140 -1.065 -3.042 8.109 1.00 0.00 C ATOM 853 CE2 TYR A 140 -0.157 -1.040 7.054 1.00 0.00 C ATOM 854 CZ TYR A 140 -0.354 -1.824 8.210 1.00 0.00 C ATOM 855 OH TYR A 140 0.138 -1.392 9.405 1.00 0.00 O ATOM 0 H TYR A 140 -0.803 -5.008 4.962 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.619 -4.083 2.813 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.387 -1.923 3.953 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.297 -3.162 4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -2.234 -4.320 6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.513 -0.864 4.934 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -1.155 -3.688 8.970 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.415 -0.126 7.114 1.00 0.00 H new ATOM 0 HH TYR A 140 0.598 -0.536 9.279 1.00 0.00 H new ATOM 865 N GLY A 141 -0.988 -2.571 1.601 1.00 0.00 N ATOM 866 CA GLY A 141 -0.070 -2.032 0.600 1.00 0.00 C ATOM 867 C GLY A 141 -0.490 -0.622 0.189 1.00 0.00 C ATOM 868 O GLY A 141 -1.498 -0.108 0.685 1.00 0.00 O ATOM 0 H GLY A 141 -1.929 -2.187 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 141 0.943 -2.013 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -0.055 -2.682 -0.275 1.00 0.00 H new ATOM 872 N PHE A 142 0.290 0.026 -0.676 1.00 0.00 N ATOM 873 CA PHE A 142 0.011 1.375 -1.163 1.00 0.00 C ATOM 874 C PHE A 142 0.327 1.450 -2.650 1.00 0.00 C ATOM 875 O PHE A 142 1.232 0.750 -3.112 1.00 0.00 O ATOM 876 CB PHE A 142 0.837 2.416 -0.394 1.00 0.00 C ATOM 877 CG PHE A 142 0.408 2.632 1.044 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.725 3.418 1.326 1.00 0.00 C ATOM 879 CD2 PHE A 142 1.152 2.075 2.101 1.00 0.00 C ATOM 880 CE1 PHE A 142 -1.112 3.651 2.657 1.00 0.00 C ATOM 881 CE2 PHE A 142 0.771 2.318 3.433 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.357 3.108 3.709 1.00 0.00 C ATOM 0 H PHE A 142 1.144 -0.377 -1.062 1.00 0.00 H new ATOM 0 HA PHE A 142 -1.044 1.596 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 142 1.883 2.109 -0.404 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.779 3.368 -0.922 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.299 3.844 0.516 1.00 0.00 H new ATOM 0 HD2 PHE A 142 2.015 1.461 1.889 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -1.988 4.246 2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.346 1.897 4.244 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.644 3.298 4.733 1.00 0.00 H new ATOM 892 N VAL A 143 -0.376 2.331 -3.367 1.00 0.00 N ATOM 893 CA VAL A 143 -0.240 2.552 -4.803 1.00 0.00 C ATOM 894 C VAL A 143 -0.430 4.047 -5.101 1.00 0.00 C ATOM 895 O VAL A 143 -1.479 4.603 -4.792 1.00 0.00 O ATOM 896 CB VAL A 143 -1.308 1.702 -5.532 1.00 0.00 C ATOM 897 CG1 VAL A 143 -1.205 1.823 -7.054 1.00 0.00 C ATOM 898 CG2 VAL A 143 -1.206 0.204 -5.203 1.00 0.00 C ATOM 0 H VAL A 143 -1.083 2.932 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 143 0.749 2.255 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 143 -2.258 2.101 -5.175 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.975 1.209 -7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -1.344 2.864 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 143 -0.222 1.483 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -1.980 -0.341 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 143 -0.226 -0.168 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.340 0.057 -4.131 1.00 0.00 H new ATOM 908 N SER A 144 0.559 4.708 -5.695 1.00 0.00 N ATOM 909 CA SER A 144 0.555 6.115 -6.070 1.00 0.00 C ATOM 910 C SER A 144 0.424 6.233 -7.585 1.00 0.00 C ATOM 911 O SER A 144 1.248 5.671 -8.318 1.00 0.00 O ATOM 912 CB SER A 144 1.862 6.757 -5.608 1.00 0.00 C ATOM 913 OG SER A 144 1.815 8.170 -5.693 1.00 0.00 O ATOM 0 H SER A 144 1.435 4.247 -5.941 1.00 0.00 H new ATOM 0 HA SER A 144 -0.285 6.625 -5.599 1.00 0.00 H new ATOM 0 HB2 SER A 144 2.068 6.462 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.685 6.384 -6.217 1.00 0.00 H new ATOM 0 HG SER A 144 2.668 8.545 -5.388 1.00 0.00 H new ATOM 919 N PHE A 145 -0.574 6.985 -8.047 1.00 0.00 N ATOM 920 CA PHE A 145 -0.844 7.213 -9.462 1.00 0.00 C ATOM 921 C PHE A 145 -0.421 8.615 -9.871 1.00 0.00 C ATOM 922 O PHE A 145 -0.320 9.524 -9.040 1.00 0.00 O ATOM 923 CB PHE A 145 -2.342 7.067 -9.749 1.00 0.00 C ATOM 924 CG PHE A 145 -2.867 5.674 -9.520 1.00 0.00 C ATOM 925 CD1 PHE A 145 -3.143 5.249 -8.210 1.00 0.00 C ATOM 926 CD2 PHE A 145 -3.059 4.799 -10.606 1.00 0.00 C ATOM 927 CE1 PHE A 145 -3.625 3.956 -7.989 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.573 3.511 -10.385 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.868 3.100 -9.075 1.00 0.00 C ATOM 0 H PHE A 145 -1.232 7.463 -7.431 1.00 0.00 H new ATOM 0 HA PHE A 145 -0.277 6.474 -10.028 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.894 7.763 -9.117 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.535 7.354 -10.783 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -2.983 5.918 -7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -2.811 5.118 -11.608 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -3.811 3.615 -6.981 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.740 2.842 -11.216 1.00 0.00 H new ATOM 0 HZ PHE A 145 -4.285 2.119 -8.902 1.00 0.00 H new ATOM 939 N PHE A 146 -0.225 8.783 -11.180 1.00 0.00 N ATOM 940 CA PHE A 146 0.160 10.059 -11.760 1.00 0.00 C ATOM 941 C PHE A 146 -0.983 11.078 -11.727 1.00 0.00 C ATOM 942 O PHE A 146 -0.691 12.270 -11.640 1.00 0.00 O ATOM 943 CB PHE A 146 0.599 9.875 -13.223 1.00 0.00 C ATOM 944 CG PHE A 146 1.829 9.023 -13.483 1.00 0.00 C ATOM 945 CD1 PHE A 146 2.946 9.065 -12.625 1.00 0.00 C ATOM 946 CD2 PHE A 146 1.888 8.229 -14.645 1.00 0.00 C ATOM 947 CE1 PHE A 146 4.088 8.300 -12.914 1.00 0.00 C ATOM 948 CE2 PHE A 146 3.038 7.482 -14.939 1.00 0.00 C ATOM 949 CZ PHE A 146 4.127 7.492 -14.058 1.00 0.00 C ATOM 0 H PHE A 146 -0.330 8.034 -11.864 1.00 0.00 H new ATOM 0 HA PHE A 146 0.986 10.437 -11.157 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.235 9.438 -13.772 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.778 10.863 -13.647 1.00 0.00 H new ATOM 0 HD1 PHE A 146 2.924 9.687 -11.743 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.041 8.195 -15.315 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.940 8.335 -12.251 1.00 0.00 H new ATOM 0 HE2 PHE A 146 3.084 6.898 -15.846 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.993 6.879 -14.260 1.00 0.00 H new ATOM 959 N ASN A 147 -2.255 10.655 -11.792 1.00 0.00 N ATOM 960 CA ASN A 147 -3.406 11.564 -11.794 1.00 0.00 C ATOM 961 C ASN A 147 -4.464 11.110 -10.793 1.00 0.00 C ATOM 962 O ASN A 147 -4.542 9.932 -10.452 1.00 0.00 O ATOM 963 CB ASN A 147 -4.037 11.657 -13.198 1.00 0.00 C ATOM 964 CG ASN A 147 -3.031 11.894 -14.310 1.00 0.00 C ATOM 965 OD1 ASN A 147 -2.590 13.015 -14.560 1.00 0.00 O ATOM 966 ND2 ASN A 147 -2.648 10.846 -15.010 1.00 0.00 N ATOM 0 H ASN A 147 -2.512 9.669 -11.845 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.041 12.549 -11.503 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.580 10.735 -13.403 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -4.768 12.466 -13.204 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -1.977 10.958 -15.770 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.022 9.922 -14.792 1.00 0.00 H new ATOM 973 N LYS A 148 -5.325 12.045 -10.382 1.00 0.00 N ATOM 974 CA LYS A 148 -6.408 11.826 -9.423 1.00 0.00 C ATOM 975 C LYS A 148 -7.410 10.780 -9.908 1.00 0.00 C ATOM 976 O LYS A 148 -7.689 9.811 -9.208 1.00 0.00 O ATOM 977 CB LYS A 148 -7.103 13.179 -9.181 1.00 0.00 C ATOM 978 CG LYS A 148 -8.247 13.115 -8.158 1.00 0.00 C ATOM 979 CD LYS A 148 -7.731 13.114 -6.722 1.00 0.00 C ATOM 980 CE LYS A 148 -8.932 13.196 -5.778 1.00 0.00 C ATOM 981 NZ LYS A 148 -8.560 12.982 -4.366 1.00 0.00 N ATOM 0 H LYS A 148 -5.285 13.007 -10.720 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.991 11.435 -8.495 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.362 13.901 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.495 13.550 -10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.912 13.967 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -8.838 12.216 -8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.156 12.209 -6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -7.062 13.959 -6.559 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -9.405 14.173 -5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -9.672 12.451 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -9.177 13.554 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -8.671 11.976 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -7.570 13.265 -4.221 1.00 0.00 H new ATOM 995 N TRP A 149 -7.937 10.991 -11.109 1.00 0.00 N ATOM 996 CA TRP A 149 -8.931 10.162 -11.786 1.00 0.00 C ATOM 997 C TRP A 149 -8.507 8.702 -11.885 1.00 0.00 C ATOM 998 O TRP A 149 -9.323 7.803 -11.699 1.00 0.00 O ATOM 999 CB TRP A 149 -9.174 10.720 -13.200 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.784 12.150 -13.397 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -7.711 12.602 -14.083 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -9.394 13.316 -12.789 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.618 13.972 -13.936 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.635 14.465 -13.145 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -10.486 13.491 -11.920 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.967 15.744 -12.677 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.834 14.767 -11.446 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -10.079 15.887 -11.827 1.00 0.00 C ATOM 0 H TRP A 149 -7.665 11.796 -11.673 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.845 10.194 -11.193 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -8.623 10.108 -13.914 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.232 10.613 -13.438 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.032 11.988 -14.656 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -6.889 14.547 -14.359 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -11.065 12.633 -11.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -8.380 16.604 -12.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -11.682 14.886 -10.788 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -10.354 16.867 -11.465 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.225 8.491 -12.187 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.625 7.168 -12.344 1.00 0.00 C ATOM 1021 C ASP A 150 -6.808 6.372 -11.048 1.00 0.00 C ATOM 1022 O ASP A 150 -7.199 5.205 -11.077 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.132 7.283 -12.709 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.825 7.908 -14.079 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.728 7.989 -14.946 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.673 8.363 -14.268 1.00 0.00 O ATOM 0 H ASP A 150 -6.562 9.252 -12.332 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.124 6.644 -13.159 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.634 7.875 -11.941 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.692 6.286 -12.679 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.537 7.019 -9.910 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.664 6.434 -8.586 1.00 0.00 C ATOM 1033 C ALA A 151 -8.138 6.206 -8.234 1.00 0.00 C ATOM 1034 O ALA A 151 -8.499 5.106 -7.816 1.00 0.00 O ATOM 1035 CB ALA A 151 -6.011 7.363 -7.559 1.00 0.00 C ATOM 0 H ALA A 151 -6.216 7.987 -9.892 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.161 5.467 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -6.104 6.928 -6.564 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.956 7.490 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.507 8.333 -7.579 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.977 7.235 -8.399 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.413 7.209 -8.109 1.00 0.00 C ATOM 1043 C GLU A 152 -11.104 6.025 -8.778 1.00 0.00 C ATOM 1044 O GLU A 152 -11.840 5.278 -8.131 1.00 0.00 O ATOM 1045 CB GLU A 152 -11.085 8.493 -8.631 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.942 9.709 -7.727 1.00 0.00 C ATOM 1047 CD GLU A 152 -12.015 9.755 -6.629 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -12.371 8.710 -6.041 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -12.499 10.876 -6.342 1.00 0.00 O ATOM 0 H GLU A 152 -8.663 8.140 -8.750 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.514 7.126 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.664 8.734 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.146 8.294 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -9.955 9.700 -7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -11.004 10.615 -8.330 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.844 5.832 -10.072 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.464 4.762 -10.841 1.00 0.00 C ATOM 1058 C ASN A 153 -11.243 3.374 -10.255 1.00 0.00 C ATOM 1059 O ASN A 153 -12.106 2.501 -10.369 1.00 0.00 O ATOM 1060 CB ASN A 153 -10.990 4.796 -12.297 1.00 0.00 C ATOM 1061 CG ASN A 153 -12.035 4.174 -13.214 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -13.225 4.142 -12.899 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -11.654 3.701 -14.384 1.00 0.00 N ATOM 0 H ASN A 153 -10.200 6.412 -10.610 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.537 4.950 -10.795 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -10.799 5.826 -12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -10.048 4.256 -12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -12.344 3.310 -15.025 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -10.669 3.726 -14.648 1.00 0.00 H new ATOM 1070 N ALA A 154 -10.068 3.171 -9.669 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.651 1.944 -9.032 1.00 0.00 C ATOM 1072 C ALA A 154 -10.228 1.879 -7.615 1.00 0.00 C ATOM 1073 O ALA A 154 -10.768 0.834 -7.285 1.00 0.00 O ATOM 1074 CB ALA A 154 -8.133 1.847 -9.061 1.00 0.00 C ATOM 0 H ALA A 154 -9.352 3.897 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 154 -10.037 1.080 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.818 0.921 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.788 1.855 -10.095 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.704 2.696 -8.529 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.190 2.931 -6.780 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.762 2.914 -5.425 1.00 0.00 C ATOM 1082 C ILE A 155 -12.189 2.363 -5.473 1.00 0.00 C ATOM 1083 O ILE A 155 -12.586 1.613 -4.579 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.700 4.323 -4.785 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.233 4.668 -4.464 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.554 4.389 -3.502 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.006 6.126 -4.046 1.00 0.00 C ATOM 0 H ILE A 155 -9.759 3.821 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.170 2.254 -4.791 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.104 5.048 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.885 4.014 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.621 4.454 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.492 5.390 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.592 4.162 -3.744 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -11.182 3.662 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -7.948 6.284 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.321 6.789 -4.852 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.588 6.343 -3.150 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.937 2.740 -6.505 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.303 2.312 -6.729 1.00 0.00 C ATOM 1101 C GLN A 156 -14.371 0.816 -7.083 1.00 0.00 C ATOM 1102 O GLN A 156 -14.808 -0.001 -6.280 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.880 3.135 -7.896 1.00 0.00 C ATOM 1104 CG GLN A 156 -15.032 4.635 -7.603 1.00 0.00 C ATOM 1105 CD GLN A 156 -15.348 5.480 -8.837 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -15.869 6.586 -8.722 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -15.023 5.023 -10.034 1.00 0.00 N ATOM 0 H GLN A 156 -12.593 3.372 -7.228 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.877 2.468 -5.816 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.235 3.011 -8.766 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.856 2.729 -8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.825 4.773 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -14.111 5.002 -7.150 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -14.590 4.104 -10.129 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -15.205 5.589 -10.863 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.908 0.484 -8.291 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.910 -0.830 -8.917 1.00 0.00 C ATOM 1118 C GLN A 157 -13.068 -1.899 -8.235 1.00 0.00 C ATOM 1119 O GLN A 157 -13.516 -3.037 -8.130 1.00 0.00 O ATOM 1120 CB GLN A 157 -13.464 -0.665 -10.378 1.00 0.00 C ATOM 1121 CG GLN A 157 -14.389 0.255 -11.189 1.00 0.00 C ATOM 1122 CD GLN A 157 -13.987 0.260 -12.658 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -14.508 -0.500 -13.473 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -13.050 1.107 -13.029 1.00 0.00 N ATOM 0 H GLN A 157 -13.490 1.187 -8.901 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.931 -1.202 -8.829 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.451 -0.263 -10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -13.428 -1.645 -10.854 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -15.422 -0.080 -11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -14.343 1.268 -10.790 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -12.626 1.732 -12.343 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -12.748 1.139 -14.003 1.00 0.00 H new ATOM 1133 N MET A 158 -11.834 -1.592 -7.841 1.00 0.00 N ATOM 1134 CA MET A 158 -10.970 -2.575 -7.192 1.00 0.00 C ATOM 1135 C MET A 158 -11.342 -2.814 -5.730 1.00 0.00 C ATOM 1136 O MET A 158 -11.011 -3.877 -5.207 1.00 0.00 O ATOM 1137 CB MET A 158 -9.495 -2.152 -7.287 1.00 0.00 C ATOM 1138 CG MET A 158 -8.944 -2.265 -8.713 1.00 0.00 C ATOM 1139 SD MET A 158 -8.991 -3.932 -9.441 1.00 0.00 S ATOM 1140 CE MET A 158 -8.146 -4.889 -8.161 1.00 0.00 C ATOM 0 H MET A 158 -11.411 -0.672 -7.960 1.00 0.00 H new ATOM 0 HA MET A 158 -11.117 -3.513 -7.727 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.392 -1.123 -6.941 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.898 -2.774 -6.620 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.509 -1.590 -9.357 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.911 -1.916 -8.714 1.00 0.00 H new ATOM 0 HE1 MET A 158 -7.615 -5.722 -8.621 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.435 -4.249 -7.638 1.00 0.00 H new ATOM 0 HE3 MET A 158 -8.878 -5.273 -7.451 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.047 -1.888 -5.075 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.435 -1.992 -3.667 1.00 0.00 C ATOM 1152 C GLY A 159 -13.483 -3.048 -3.332 1.00 0.00 C ATOM 1153 O GLY A 159 -14.547 -2.716 -2.815 1.00 0.00 O ATOM 0 H GLY A 159 -12.370 -1.028 -5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -11.540 -2.199 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -12.811 -1.022 -3.343 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.150 -4.319 -3.530 1.00 0.00 N ATOM 1158 CA GLY A 160 -13.991 -5.485 -3.283 1.00 0.00 C ATOM 1159 C GLY A 160 -13.603 -6.675 -4.162 1.00 0.00 C ATOM 1160 O GLY A 160 -14.086 -7.783 -3.926 1.00 0.00 O ATOM 0 H GLY A 160 -12.231 -4.578 -3.889 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -13.914 -5.770 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.033 -5.224 -3.467 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.747 -6.464 -5.170 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.281 -7.521 -6.061 1.00 0.00 C ATOM 1166 C GLN A 161 -11.412 -8.498 -5.268 1.00 0.00 C ATOM 1167 O GLN A 161 -10.989 -8.213 -4.146 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.449 -6.909 -7.201 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.299 -6.134 -8.211 1.00 0.00 C ATOM 1170 CD GLN A 161 -13.130 -7.042 -9.115 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -14.352 -7.070 -9.038 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -12.506 -7.777 -10.019 1.00 0.00 N ATOM 0 H GLN A 161 -12.359 -5.546 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.138 -8.046 -6.482 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -10.698 -6.241 -6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.913 -7.704 -7.719 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -12.965 -5.458 -7.674 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -11.647 -5.516 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -11.488 -7.753 -10.082 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -13.042 -8.369 -10.654 1.00 0.00 H new ATOM 1181 N TRP A 162 -11.126 -9.647 -5.867 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.311 -10.707 -5.307 1.00 0.00 C ATOM 1183 C TRP A 162 -8.964 -10.652 -6.028 1.00 0.00 C ATOM 1184 O TRP A 162 -8.920 -10.702 -7.259 1.00 0.00 O ATOM 1185 CB TRP A 162 -11.010 -12.062 -5.477 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.284 -12.298 -4.703 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.383 -11.508 -4.667 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.592 -13.397 -3.797 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.370 -12.093 -3.901 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.908 -13.231 -3.279 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.864 -14.501 -3.328 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.444 -14.094 -2.313 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -12.401 -15.398 -2.384 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.686 -15.185 -1.857 1.00 0.00 C ATOM 0 H TRP A 162 -11.474 -9.871 -6.799 1.00 0.00 H new ATOM 0 HA TRP A 162 -10.160 -10.579 -4.235 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -11.232 -12.194 -6.536 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -10.301 -12.842 -5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.474 -10.555 -5.167 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.319 -11.730 -3.808 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.864 -14.668 -3.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.435 -13.921 -1.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.823 -16.252 -2.064 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -14.087 -15.853 -1.109 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.876 -10.502 -5.270 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.507 -10.419 -5.768 1.00 0.00 C ATOM 1207 C LEU A 163 -5.717 -11.621 -5.268 1.00 0.00 C ATOM 1208 O LEU A 163 -5.543 -11.792 -4.059 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.838 -9.112 -5.317 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.364 -9.007 -5.769 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -4.209 -8.927 -7.286 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.729 -7.744 -5.198 1.00 0.00 C ATOM 0 H LEU A 163 -7.929 -10.433 -4.254 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.525 -10.424 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.397 -8.266 -5.717 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.886 -9.041 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.878 -9.913 -5.405 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.152 -8.855 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.632 -9.822 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.733 -8.047 -7.659 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.690 -7.680 -5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.275 -6.870 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.767 -7.778 -4.109 1.00 0.00 H new ATOM 1224 N GLY A 164 -5.228 -12.444 -6.192 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.438 -13.633 -5.908 1.00 0.00 C ATOM 1226 C GLY A 164 -5.203 -14.709 -5.134 1.00 0.00 C ATOM 1227 O GLY A 164 -4.601 -15.702 -4.718 1.00 0.00 O ATOM 0 H GLY A 164 -5.377 -12.295 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -4.084 -14.056 -6.848 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.556 -13.344 -5.336 1.00 0.00 H new ATOM 1231 N GLY A 165 -6.506 -14.524 -4.908 1.00 0.00 N ATOM 1232 CA GLY A 165 -7.365 -15.453 -4.197 1.00 0.00 C ATOM 1233 C GLY A 165 -8.110 -14.850 -3.006 1.00 0.00 C ATOM 1234 O GLY A 165 -8.948 -15.561 -2.452 1.00 0.00 O ATOM 0 H GLY A 165 -7.002 -13.692 -5.229 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -8.095 -15.860 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.761 -16.289 -3.845 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.875 -13.594 -2.594 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.578 -12.992 -1.446 1.00 0.00 C ATOM 1240 C ARG A 166 -9.090 -11.593 -1.760 1.00 0.00 C ATOM 1241 O ARG A 166 -8.474 -10.888 -2.558 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.651 -12.949 -0.219 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.597 -14.306 0.495 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.612 -14.265 1.663 1.00 0.00 C ATOM 1245 NE ARG A 166 -6.733 -15.464 2.508 1.00 0.00 N ATOM 1246 CZ ARG A 166 -5.738 -16.234 2.967 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -4.479 -16.035 2.593 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -6.008 -17.211 3.827 1.00 0.00 N ATOM 0 H ARG A 166 -7.201 -12.972 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.443 -13.619 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.647 -12.661 -0.531 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.001 -12.185 0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.590 -14.570 0.860 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.300 -15.082 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.594 -14.189 1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -6.794 -13.374 2.264 1.00 0.00 H new ATOM 0 HE ARG A 166 -7.679 -15.739 2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -4.253 -15.282 1.943 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -3.738 -16.635 2.956 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -6.968 -17.370 4.133 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -5.255 -17.801 4.181 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.217 -11.199 -1.161 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.817 -9.883 -1.359 1.00 0.00 C ATOM 1264 C GLN A 167 -9.894 -8.793 -0.829 1.00 0.00 C ATOM 1265 O GLN A 167 -9.149 -9.018 0.120 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.186 -9.758 -0.672 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.302 -10.338 -1.521 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.685 -9.926 -1.023 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -15.092 -10.220 0.103 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.436 -9.215 -1.842 1.00 0.00 N ATOM 0 H GLN A 167 -10.742 -11.793 -0.519 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.962 -9.762 -2.432 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.158 -10.271 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.394 -8.708 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.178 -10.010 -2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.228 -11.425 -1.521 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -15.092 -8.976 -2.772 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.361 -8.904 -1.545 1.00 0.00 H new ATOM 1279 N ILE A 168 -10.026 -7.584 -1.372 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.217 -6.431 -0.988 1.00 0.00 C ATOM 1281 C ILE A 168 -10.110 -5.228 -0.657 1.00 0.00 C ATOM 1282 O ILE A 168 -11.285 -5.155 -1.043 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.192 -6.120 -2.117 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.904 -5.560 -3.370 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.374 -7.379 -2.464 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.971 -5.094 -4.480 1.00 0.00 C ATOM 0 H ILE A 168 -10.708 -7.376 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.657 -6.659 -0.081 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.505 -5.355 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.565 -6.329 -3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.534 -4.723 -3.069 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.662 -7.144 -3.255 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.835 -7.718 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -8.046 -8.167 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.560 -4.718 -5.317 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.326 -4.300 -4.104 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -7.358 -5.931 -4.815 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.535 -4.238 0.024 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.199 -2.984 0.405 1.00 0.00 C ATOM 1300 C ARG A 169 -9.352 -1.833 -0.134 1.00 0.00 C ATOM 1301 O ARG A 169 -8.126 -1.951 -0.094 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.434 -2.908 1.929 1.00 0.00 C ATOM 1303 CG ARG A 169 -9.184 -3.046 2.816 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.496 -2.888 4.313 1.00 0.00 C ATOM 1305 NE ARG A 169 -9.969 -1.537 4.652 1.00 0.00 N ATOM 1306 CZ ARG A 169 -10.189 -1.035 5.871 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -9.861 -1.689 6.984 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -10.718 0.176 5.973 1.00 0.00 N ATOM 0 H ARG A 169 -8.565 -4.284 0.337 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.196 -2.925 -0.032 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.911 -1.954 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -11.139 -3.691 2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.729 -4.022 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.450 -2.296 2.521 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -10.253 -3.617 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -8.600 -3.112 4.893 1.00 0.00 H new ATOM 0 HE ARG A 169 -10.150 -0.912 3.867 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -9.424 -2.609 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -10.046 -1.270 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -10.948 0.704 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -10.895 0.579 6.893 1.00 0.00 H new ATOM 1322 N THR A 170 -9.957 -0.749 -0.639 1.00 0.00 N ATOM 1323 CA THR A 170 -9.226 0.401 -1.183 1.00 0.00 C ATOM 1324 C THR A 170 -9.887 1.713 -0.774 1.00 0.00 C ATOM 1325 O THR A 170 -11.114 1.794 -0.754 1.00 0.00 O ATOM 1326 CB THR A 170 -9.119 0.332 -2.721 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.353 0.061 -3.333 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.173 -0.778 -3.191 1.00 0.00 C ATOM 0 H THR A 170 -10.971 -0.646 -0.681 1.00 0.00 H new ATOM 0 HA THR A 170 -8.220 0.364 -0.766 1.00 0.00 H new ATOM 0 HB THR A 170 -8.746 1.315 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 170 -10.236 0.029 -4.305 1.00 0.00 H new ATOM 0 HG21 THR A 170 -8.133 -0.785 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.175 -0.598 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 170 -8.538 -1.742 -2.836 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.083 2.735 -0.472 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.514 4.077 -0.073 1.00 0.00 C ATOM 1338 C ASN A 171 -8.321 5.029 -0.230 1.00 0.00 C ATOM 1339 O ASN A 171 -7.237 4.588 -0.607 1.00 0.00 O ATOM 1340 CB ASN A 171 -10.006 4.057 1.388 1.00 0.00 C ATOM 1341 CG ASN A 171 -10.676 5.363 1.800 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -11.174 6.113 0.967 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -10.683 5.684 3.080 1.00 0.00 N ATOM 0 H ASN A 171 -8.067 2.646 -0.500 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.339 4.415 -0.701 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -10.710 3.235 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -9.162 3.862 2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -11.105 6.562 3.383 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -10.267 5.054 3.766 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.467 6.332 0.009 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.337 7.253 -0.100 1.00 0.00 C ATOM 1352 C TRP A 172 -6.363 6.989 1.056 1.00 0.00 C ATOM 1353 O TRP A 172 -6.778 6.568 2.134 1.00 0.00 O ATOM 1354 CB TRP A 172 -7.839 8.696 -0.066 1.00 0.00 C ATOM 1355 CG TRP A 172 -8.640 9.101 -1.260 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -9.955 9.420 -1.261 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.195 9.236 -2.643 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.338 9.779 -2.538 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.284 9.725 -3.413 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -6.993 8.985 -3.338 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.163 10.037 -4.768 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -6.868 9.273 -4.709 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -7.942 9.829 -5.426 1.00 0.00 C ATOM 0 H TRP A 172 -9.348 6.770 0.277 1.00 0.00 H new ATOM 0 HA TRP A 172 -6.818 7.095 -1.045 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -8.447 8.835 0.828 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -6.982 9.364 0.024 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -10.604 9.397 -0.398 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.286 10.050 -2.798 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.152 8.563 -2.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.008 10.438 -5.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -5.937 9.065 -5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -7.829 10.092 -6.467 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.072 7.284 0.874 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.044 7.073 1.899 1.00 0.00 C ATOM 1376 C ALA A 173 -3.992 8.179 2.972 1.00 0.00 C ATOM 1377 O ALA A 173 -3.041 8.220 3.760 1.00 0.00 O ATOM 1378 CB ALA A 173 -2.683 6.933 1.213 1.00 0.00 C ATOM 0 H ALA A 173 -4.708 7.678 0.006 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.307 6.160 2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -1.911 6.776 1.966 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -2.705 6.082 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.463 7.841 0.652 1.00 0.00 H new