USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 594 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 96 HIS : no HD1:sc= -1.21 K(o=-2.2,f=-1.4) USER MOD Set 1.2: A 124 SER OG : rot -68:sc= -1.02 USER MOD Set 2.1: A 98 HIS : no HD1:sc= 1.1 K(o=2.3,f=-6.6!) USER MOD Set 2.2: A 144 SER OG : rot -75:sc= 1.21 USER MOD Single : A 105 SER OG : rot -103:sc= -0.959 USER MOD Single : A 109 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.406 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot -23:sc= 0.371! USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=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 -71:sc= 0.291 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 TYR OH : rot -30:sc= -0.706 USER MOD Single : A 146 TYR OH : 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= -0.572 X(o=-0.57,f=-0.78) USER MOD Single : A 157 HIS : no HD1:sc= -0.334 X(o=-0.33,f=0.07) USER MOD Single : A 158 MET CE :methyl -109:sc= -3.3! (180deg=-7.07!) USER MOD Single : A 161 GLN : amide:sc= 0.0316 K(o=0.032,f=-1.8!) USER MOD Single : A 167 GLN : amide:sc= -0.602 X(o=-0.6,f=-0.68) USER MOD Single : A 170 THR OG1 : rot 80:sc= -0.203 USER MOD Single : A 171 ASN : amide:sc= -0.439 K(o=-0.44,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 -3.703 17.929 0.330 1.00 0.00 N ATOM 179 CA HIS A 96 -2.649 17.015 -0.094 1.00 0.00 C ATOM 180 C HIS A 96 -3.050 16.279 -1.369 1.00 0.00 C ATOM 181 O HIS A 96 -4.235 16.085 -1.640 1.00 0.00 O ATOM 182 CB HIS A 96 -2.341 16.008 1.014 1.00 0.00 C ATOM 183 CG HIS A 96 -1.960 16.647 2.314 1.00 0.00 C ATOM 184 ND1 HIS A 96 -2.124 16.026 3.535 1.00 0.00 N ATOM 185 CD2 HIS A 96 -1.418 17.859 2.580 1.00 0.00 C ATOM 186 CE1 HIS A 96 -1.701 16.828 4.495 1.00 0.00 C ATOM 187 NE2 HIS A 96 -1.267 17.947 3.943 1.00 0.00 N ATOM 0 HA HIS A 96 -1.754 17.602 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.214 15.375 1.172 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -1.530 15.357 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.154 18.615 1.856 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -1.709 16.607 5.552 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -0.882 18.746 4.447 1.00 0.00 H new ATOM 196 N PHE A 97 -2.054 15.872 -2.149 1.00 0.00 N ATOM 197 CA PHE A 97 -2.302 15.159 -3.397 1.00 0.00 C ATOM 198 C PHE A 97 -2.252 13.649 -3.180 1.00 0.00 C ATOM 199 O PHE A 97 -1.308 13.127 -2.586 1.00 0.00 O ATOM 200 CB PHE A 97 -1.276 15.567 -4.455 1.00 0.00 C ATOM 201 CG PHE A 97 -1.275 17.040 -4.753 1.00 0.00 C ATOM 202 CD1 PHE A 97 -0.835 17.951 -3.806 1.00 0.00 C ATOM 203 CD2 PHE A 97 -1.713 17.512 -5.979 1.00 0.00 C ATOM 204 CE1 PHE A 97 -0.833 19.306 -4.077 1.00 0.00 C ATOM 205 CE2 PHE A 97 -1.713 18.867 -6.256 1.00 0.00 C ATOM 206 CZ PHE A 97 -1.272 19.764 -5.304 1.00 0.00 C ATOM 0 H PHE A 97 -1.067 16.024 -1.939 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.299 15.426 -3.746 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.282 15.272 -4.119 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.477 15.018 -5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.490 17.598 -2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.059 16.814 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.489 20.006 -3.330 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -2.058 19.223 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 97 -1.270 20.823 -5.518 1.00 0.00 H new ATOM 216 N HIS A 98 -3.276 12.954 -3.665 1.00 0.00 N ATOM 217 CA HIS A 98 -3.350 11.504 -3.524 1.00 0.00 C ATOM 218 C HIS A 98 -2.649 10.809 -4.687 1.00 0.00 C ATOM 219 O HIS A 98 -2.922 11.097 -5.852 1.00 0.00 O ATOM 220 CB HIS A 98 -4.808 11.051 -3.448 1.00 0.00 C ATOM 221 CG HIS A 98 -5.576 11.687 -2.330 1.00 0.00 C ATOM 222 ND1 HIS A 98 -5.102 11.757 -1.037 1.00 0.00 N ATOM 223 CD2 HIS A 98 -6.790 12.285 -2.317 1.00 0.00 C ATOM 224 CE1 HIS A 98 -5.992 12.369 -0.277 1.00 0.00 C ATOM 225 NE2 HIS A 98 -7.025 12.700 -1.030 1.00 0.00 N ATOM 0 H HIS A 98 -4.065 13.371 -4.159 1.00 0.00 H new ATOM 0 HA HIS A 98 -2.843 11.227 -2.599 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.301 11.281 -4.393 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.838 9.968 -3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -7.451 12.412 -3.162 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -5.892 12.565 0.780 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -7.862 13.185 -0.707 1.00 0.00 H new ATOM 234 N VAL A 99 -1.743 9.892 -4.363 1.00 0.00 N ATOM 235 CA VAL A 99 -1.003 9.155 -5.381 1.00 0.00 C ATOM 236 C VAL A 99 -1.319 7.665 -5.320 1.00 0.00 C ATOM 237 O VAL A 99 -1.170 7.030 -4.276 1.00 0.00 O ATOM 238 CB VAL A 99 0.517 9.353 -5.223 1.00 0.00 C ATOM 239 CG1 VAL A 99 1.274 8.500 -6.229 1.00 0.00 C ATOM 240 CG2 VAL A 99 0.881 10.822 -5.376 1.00 0.00 C ATOM 0 H VAL A 99 -1.504 9.642 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.315 9.550 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 99 0.806 9.033 -4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.346 8.653 -6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.036 7.449 -6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.984 8.786 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.958 10.944 -5.262 1.00 0.00 H new ATOM 0 HG22 VAL A 99 0.579 11.171 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.367 11.406 -4.613 1.00 0.00 H new ATOM 250 N PHE A 100 -1.756 7.112 -6.446 1.00 0.00 N ATOM 251 CA PHE A 100 -2.095 5.696 -6.522 1.00 0.00 C ATOM 252 C PHE A 100 -0.876 4.866 -6.913 1.00 0.00 C ATOM 253 O PHE A 100 -0.065 5.284 -7.739 1.00 0.00 O ATOM 254 CB PHE A 100 -3.223 5.472 -7.531 1.00 0.00 C ATOM 255 CG PHE A 100 -3.550 4.023 -7.753 1.00 0.00 C ATOM 256 CD1 PHE A 100 -2.846 3.275 -8.683 1.00 0.00 C ATOM 257 CD2 PHE A 100 -4.562 3.410 -7.032 1.00 0.00 C ATOM 258 CE1 PHE A 100 -3.145 1.941 -8.889 1.00 0.00 C ATOM 259 CE2 PHE A 100 -4.864 2.076 -7.234 1.00 0.00 C ATOM 260 CZ PHE A 100 -4.156 1.342 -8.165 1.00 0.00 C ATOM 0 H PHE A 100 -1.884 7.623 -7.319 1.00 0.00 H new ATOM 0 HA PHE A 100 -2.431 5.375 -5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.118 5.989 -7.184 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.943 5.923 -8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -2.055 3.739 -9.253 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -5.121 3.980 -6.305 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.588 1.368 -9.616 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.653 1.608 -6.664 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.393 0.301 -8.326 1.00 0.00 H new ATOM 270 N VAL A 101 -0.753 3.686 -6.312 1.00 0.00 N ATOM 271 CA VAL A 101 0.366 2.796 -6.596 1.00 0.00 C ATOM 272 C VAL A 101 -0.117 1.376 -6.869 1.00 0.00 C ATOM 273 O VAL A 101 -0.963 0.848 -6.149 1.00 0.00 O ATOM 274 CB VAL A 101 1.372 2.769 -5.430 1.00 0.00 C ATOM 275 CG1 VAL A 101 2.532 1.838 -5.748 1.00 0.00 C ATOM 276 CG2 VAL A 101 1.873 4.173 -5.126 1.00 0.00 C ATOM 0 H VAL A 101 -1.415 3.325 -5.625 1.00 0.00 H new ATOM 0 HA VAL A 101 0.862 3.185 -7.485 1.00 0.00 H new ATOM 0 HB VAL A 101 0.864 2.389 -4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.233 1.832 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.154 0.829 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.042 2.185 -6.647 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.583 4.135 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.365 4.583 -6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.031 4.808 -4.852 1.00 0.00 H new ATOM 286 N GLY A 102 0.428 0.762 -7.915 1.00 0.00 N ATOM 287 CA GLY A 102 0.040 -0.592 -8.265 1.00 0.00 C ATOM 288 C GLY A 102 1.231 -1.521 -8.395 1.00 0.00 C ATOM 289 O GLY A 102 2.378 -1.091 -8.272 1.00 0.00 O ATOM 0 H GLY A 102 1.131 1.178 -8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.638 -0.980 -7.505 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.510 -0.577 -9.206 1.00 0.00 H new ATOM 293 N ASP A 103 0.960 -2.797 -8.642 1.00 0.00 N ATOM 294 CA ASP A 103 2.018 -3.790 -8.788 1.00 0.00 C ATOM 295 C ASP A 103 2.947 -3.775 -7.578 1.00 0.00 C ATOM 296 O ASP A 103 4.156 -3.970 -7.707 1.00 0.00 O ATOM 297 CB ASP A 103 2.819 -3.529 -10.064 1.00 0.00 C ATOM 298 CG ASP A 103 2.045 -3.889 -11.317 1.00 0.00 C ATOM 299 OD1 ASP A 103 0.845 -3.553 -11.391 1.00 0.00 O ATOM 300 OD2 ASP A 103 2.640 -4.507 -12.224 1.00 0.00 O ATOM 0 H ASP A 103 0.016 -3.169 -8.746 1.00 0.00 H new ATOM 0 HA ASP A 103 1.553 -4.774 -8.855 1.00 0.00 H new ATOM 0 HB2 ASP A 103 3.100 -2.477 -10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.744 -4.105 -10.033 1.00 0.00 H new ATOM 305 N LEU A 104 2.375 -3.542 -6.402 1.00 0.00 N ATOM 306 CA LEU A 104 3.151 -3.501 -5.167 1.00 0.00 C ATOM 307 C LEU A 104 3.420 -4.908 -4.646 1.00 0.00 C ATOM 308 O LEU A 104 2.508 -5.593 -4.181 1.00 0.00 O ATOM 309 CB LEU A 104 2.415 -2.682 -4.106 1.00 0.00 C ATOM 310 CG LEU A 104 2.530 -1.163 -4.230 1.00 0.00 C ATOM 311 CD1 LEU A 104 1.648 -0.474 -3.199 1.00 0.00 C ATOM 312 CD2 LEU A 104 3.978 -0.723 -4.074 1.00 0.00 C ATOM 0 H LEU A 104 1.376 -3.378 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 104 4.108 -3.026 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.359 -2.950 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.789 -2.976 -3.125 1.00 0.00 H new ATOM 0 HG LEU A 104 2.188 -0.873 -5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.743 0.607 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.609 -0.764 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.959 -0.771 -2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.041 0.361 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.347 -1.027 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.585 -1.188 -4.851 1.00 0.00 H new ATOM 324 N SER A 105 4.677 -5.333 -4.723 1.00 0.00 N ATOM 325 CA SER A 105 5.065 -6.660 -4.260 1.00 0.00 C ATOM 326 C SER A 105 4.372 -7.001 -2.944 1.00 0.00 C ATOM 327 O SER A 105 4.010 -6.124 -2.159 1.00 0.00 O ATOM 328 CB SER A 105 6.583 -6.738 -4.086 1.00 0.00 C ATOM 329 OG SER A 105 6.932 -7.655 -3.062 1.00 0.00 O ATOM 0 H SER A 105 5.444 -4.778 -5.102 1.00 0.00 H new ATOM 0 HA SER A 105 4.755 -7.386 -5.012 1.00 0.00 H new ATOM 0 HB2 SER A 105 7.045 -7.043 -5.025 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.976 -5.751 -3.844 1.00 0.00 H new ATOM 0 HG SER A 105 7.180 -7.162 -2.252 1.00 0.00 H new ATOM 335 N PRO A 106 4.183 -8.305 -2.696 1.00 0.00 N ATOM 336 CA PRO A 106 3.533 -8.793 -1.476 1.00 0.00 C ATOM 337 C PRO A 106 4.395 -8.582 -0.236 1.00 0.00 C ATOM 338 O PRO A 106 3.885 -8.518 0.881 1.00 0.00 O ATOM 339 CB PRO A 106 3.344 -10.288 -1.748 1.00 0.00 C ATOM 340 CG PRO A 106 4.406 -10.630 -2.736 1.00 0.00 C ATOM 341 CD PRO A 106 4.590 -9.405 -3.588 1.00 0.00 C ATOM 0 HA PRO A 106 2.603 -8.263 -1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.450 -10.873 -0.834 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.351 -10.496 -2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.335 -10.898 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 106 4.113 -11.487 -3.343 1.00 0.00 H new ATOM 0 HD2 PRO A 106 5.624 -9.295 -3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 106 3.973 -9.444 -4.486 1.00 0.00 H new ATOM 349 N GLU A 107 5.704 -8.475 -0.442 1.00 0.00 N ATOM 350 CA GLU A 107 6.636 -8.271 0.661 1.00 0.00 C ATOM 351 C GLU A 107 6.584 -6.830 1.158 1.00 0.00 C ATOM 352 O GLU A 107 7.021 -6.529 2.269 1.00 0.00 O ATOM 353 CB GLU A 107 8.061 -8.621 0.225 1.00 0.00 C ATOM 354 CG GLU A 107 8.128 -9.766 -0.772 1.00 0.00 C ATOM 355 CD GLU A 107 7.332 -10.977 -0.325 1.00 0.00 C ATOM 356 OE1 GLU A 107 6.977 -11.044 0.871 1.00 0.00 O ATOM 357 OE2 GLU A 107 7.065 -11.857 -1.169 1.00 0.00 O ATOM 0 H GLU A 107 6.143 -8.526 -1.361 1.00 0.00 H new ATOM 0 HA GLU A 107 6.342 -8.929 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.524 -7.738 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.648 -8.882 1.106 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.752 -9.425 -1.737 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.169 -10.054 -0.919 1.00 0.00 H new ATOM 364 N ILE A 108 6.047 -5.943 0.327 1.00 0.00 N ATOM 365 CA ILE A 108 5.938 -4.533 0.682 1.00 0.00 C ATOM 366 C ILE A 108 4.968 -4.332 1.842 1.00 0.00 C ATOM 367 O ILE A 108 3.864 -4.878 1.845 1.00 0.00 O ATOM 368 CB ILE A 108 5.471 -3.686 -0.516 1.00 0.00 C ATOM 369 CG1 ILE A 108 6.265 -4.055 -1.770 1.00 0.00 C ATOM 370 CG2 ILE A 108 5.619 -2.203 -0.206 1.00 0.00 C ATOM 371 CD1 ILE A 108 7.764 -3.990 -1.578 1.00 0.00 C ATOM 0 H ILE A 108 5.681 -6.175 -0.596 1.00 0.00 H new ATOM 0 HA ILE A 108 6.933 -4.205 0.983 1.00 0.00 H new ATOM 0 HB ILE A 108 4.417 -3.895 -0.701 1.00 0.00 H new ATOM 0 HG12 ILE A 108 5.990 -5.063 -2.080 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.981 -3.383 -2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.285 -1.617 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 108 5.013 -1.951 0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.665 -1.977 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.262 -4.264 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.051 -2.977 -1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.060 -4.682 -0.790 1.00 0.00 H new ATOM 383 N THR A 109 5.387 -3.543 2.826 1.00 0.00 N ATOM 384 CA THR A 109 4.556 -3.269 3.992 1.00 0.00 C ATOM 385 C THR A 109 4.295 -1.774 4.141 1.00 0.00 C ATOM 386 O THR A 109 5.108 -0.946 3.729 1.00 0.00 O ATOM 387 CB THR A 109 5.208 -3.796 5.284 1.00 0.00 C ATOM 388 OG1 THR A 109 6.450 -3.122 5.516 1.00 0.00 O ATOM 389 CG2 THR A 109 5.447 -5.296 5.196 1.00 0.00 C ATOM 0 H THR A 109 6.297 -3.082 2.839 1.00 0.00 H new ATOM 0 HA THR A 109 3.610 -3.787 3.835 1.00 0.00 H new ATOM 0 HB THR A 109 4.529 -3.601 6.114 1.00 0.00 H new ATOM 0 HG1 THR A 109 6.858 -3.462 6.340 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.908 -5.646 6.120 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.496 -5.808 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 109 6.108 -5.510 4.356 1.00 0.00 H new ATOM 397 N THR A 110 3.155 -1.433 4.735 1.00 0.00 N ATOM 398 CA THR A 110 2.787 -0.038 4.939 1.00 0.00 C ATOM 399 C THR A 110 3.973 0.775 5.444 1.00 0.00 C ATOM 400 O THR A 110 4.120 1.949 5.106 1.00 0.00 O ATOM 401 CB THR A 110 1.623 0.095 5.940 1.00 0.00 C ATOM 402 OG1 THR A 110 0.442 -0.507 5.401 1.00 0.00 O ATOM 403 CG2 THR A 110 1.352 1.557 6.262 1.00 0.00 C ATOM 0 H THR A 110 2.471 -2.105 5.083 1.00 0.00 H new ATOM 0 HA THR A 110 2.470 0.351 3.971 1.00 0.00 H new ATOM 0 HB THR A 110 1.903 -0.418 6.860 1.00 0.00 H new ATOM 0 HG1 THR A 110 -0.292 -0.420 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 110 0.526 1.627 6.970 1.00 0.00 H new ATOM 0 HG22 THR A 110 2.244 2.005 6.700 1.00 0.00 H new ATOM 0 HG23 THR A 110 1.091 2.089 5.347 1.00 0.00 H new ATOM 411 N GLU A 111 4.816 0.143 6.255 1.00 0.00 N ATOM 412 CA GLU A 111 5.989 0.811 6.806 1.00 0.00 C ATOM 413 C GLU A 111 7.036 1.054 5.722 1.00 0.00 C ATOM 414 O GLU A 111 7.625 2.132 5.644 1.00 0.00 O ATOM 415 CB GLU A 111 6.594 -0.024 7.937 1.00 0.00 C ATOM 416 CG GLU A 111 5.970 0.248 9.295 1.00 0.00 C ATOM 417 CD GLU A 111 6.030 1.713 9.682 1.00 0.00 C ATOM 418 OE1 GLU A 111 7.148 2.219 9.913 1.00 0.00 O ATOM 419 OE2 GLU A 111 4.960 2.352 9.754 1.00 0.00 O ATOM 0 H GLU A 111 4.709 -0.829 6.544 1.00 0.00 H new ATOM 0 HA GLU A 111 5.673 1.775 7.204 1.00 0.00 H new ATOM 0 HB2 GLU A 111 6.478 -1.081 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.664 0.175 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 111 4.930 -0.079 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.483 -0.345 10.052 1.00 0.00 H new ATOM 426 N ASP A 112 7.262 0.044 4.890 1.00 0.00 N ATOM 427 CA ASP A 112 8.237 0.147 3.810 1.00 0.00 C ATOM 428 C ASP A 112 7.888 1.296 2.870 1.00 0.00 C ATOM 429 O ASP A 112 8.715 2.170 2.608 1.00 0.00 O ATOM 430 CB ASP A 112 8.304 -1.166 3.028 1.00 0.00 C ATOM 431 CG ASP A 112 8.928 -2.288 3.833 1.00 0.00 C ATOM 432 OD1 ASP A 112 8.883 -2.220 5.079 1.00 0.00 O ATOM 433 OD2 ASP A 112 9.463 -3.235 3.218 1.00 0.00 O ATOM 0 H ASP A 112 6.784 -0.855 4.942 1.00 0.00 H new ATOM 0 HA ASP A 112 9.213 0.348 4.253 1.00 0.00 H new ATOM 0 HB2 ASP A 112 7.298 -1.456 2.724 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.881 -1.013 2.116 1.00 0.00 H new ATOM 438 N ILE A 113 6.659 1.288 2.365 1.00 0.00 N ATOM 439 CA ILE A 113 6.200 2.329 1.454 1.00 0.00 C ATOM 440 C ILE A 113 6.348 3.712 2.081 1.00 0.00 C ATOM 441 O ILE A 113 6.710 4.676 1.406 1.00 0.00 O ATOM 442 CB ILE A 113 4.730 2.116 1.049 1.00 0.00 C ATOM 443 CG1 ILE A 113 4.533 0.708 0.482 1.00 0.00 C ATOM 444 CG2 ILE A 113 4.302 3.166 0.034 1.00 0.00 C ATOM 445 CD1 ILE A 113 3.114 0.428 0.039 1.00 0.00 C ATOM 0 H ILE A 113 5.963 0.572 2.572 1.00 0.00 H new ATOM 0 HA ILE A 113 6.825 2.267 0.563 1.00 0.00 H new ATOM 0 HB ILE A 113 4.106 2.221 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.204 0.569 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.820 -0.023 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.260 3.002 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 113 4.409 4.159 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.929 3.090 -0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.048 -0.587 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.440 0.534 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 113 2.830 1.135 -0.740 1.00 0.00 H new ATOM 457 N LYS A 114 6.067 3.801 3.376 1.00 0.00 N ATOM 458 CA LYS A 114 6.171 5.064 4.097 1.00 0.00 C ATOM 459 C LYS A 114 7.612 5.563 4.115 1.00 0.00 C ATOM 460 O LYS A 114 7.865 6.761 3.984 1.00 0.00 O ATOM 461 CB LYS A 114 5.658 4.901 5.530 1.00 0.00 C ATOM 462 CG LYS A 114 4.151 5.043 5.657 1.00 0.00 C ATOM 463 CD LYS A 114 3.756 5.597 7.016 1.00 0.00 C ATOM 464 CE LYS A 114 3.860 7.114 7.051 1.00 0.00 C ATOM 465 NZ LYS A 114 4.041 7.625 8.439 1.00 0.00 N ATOM 0 H LYS A 114 5.765 3.013 3.949 1.00 0.00 H new ATOM 0 HA LYS A 114 5.557 5.801 3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.955 3.921 5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.139 5.644 6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 114 3.779 5.702 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.679 4.072 5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.735 5.296 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.399 5.169 7.785 1.00 0.00 H new ATOM 0 HE2 LYS A 114 4.699 7.435 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.960 7.550 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.108 8.663 8.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 3.228 7.340 9.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.913 7.229 8.844 1.00 0.00 H new ATOM 479 N SER A 115 8.552 4.638 4.277 1.00 0.00 N ATOM 480 CA SER A 115 9.968 4.985 4.314 1.00 0.00 C ATOM 481 C SER A 115 10.592 4.867 2.927 1.00 0.00 C ATOM 482 O SER A 115 11.713 5.321 2.699 1.00 0.00 O ATOM 483 CB SER A 115 10.711 4.080 5.299 1.00 0.00 C ATOM 484 OG SER A 115 12.109 4.302 5.241 1.00 0.00 O ATOM 0 H SER A 115 8.359 3.642 4.385 1.00 0.00 H new ATOM 0 HA SER A 115 10.055 6.020 4.646 1.00 0.00 H new ATOM 0 HB2 SER A 115 10.352 4.267 6.311 1.00 0.00 H new ATOM 0 HB3 SER A 115 10.496 3.036 5.072 1.00 0.00 H new ATOM 0 HG SER A 115 12.344 4.684 4.370 1.00 0.00 H new ATOM 490 N ALA A 116 9.858 4.255 2.004 1.00 0.00 N ATOM 491 CA ALA A 116 10.338 4.079 0.639 1.00 0.00 C ATOM 492 C ALA A 116 9.923 5.251 -0.244 1.00 0.00 C ATOM 493 O ALA A 116 10.523 5.495 -1.291 1.00 0.00 O ATOM 494 CB ALA A 116 9.818 2.771 0.061 1.00 0.00 C ATOM 0 H ALA A 116 8.928 3.873 2.177 1.00 0.00 H new ATOM 0 HA ALA A 116 11.427 4.045 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 116 10.184 2.653 -0.959 1.00 0.00 H new ATOM 0 HB2 ALA A 116 10.169 1.939 0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.728 2.783 0.056 1.00 0.00 H new ATOM 500 N PHE A 117 8.893 5.973 0.184 1.00 0.00 N ATOM 501 CA PHE A 117 8.397 7.119 -0.569 1.00 0.00 C ATOM 502 C PHE A 117 8.766 8.427 0.125 1.00 0.00 C ATOM 503 O PHE A 117 8.578 9.510 -0.429 1.00 0.00 O ATOM 504 CB PHE A 117 6.878 7.028 -0.736 1.00 0.00 C ATOM 505 CG PHE A 117 6.449 6.052 -1.794 1.00 0.00 C ATOM 506 CD1 PHE A 117 6.662 4.693 -1.628 1.00 0.00 C ATOM 507 CD2 PHE A 117 5.834 6.494 -2.954 1.00 0.00 C ATOM 508 CE1 PHE A 117 6.267 3.792 -2.599 1.00 0.00 C ATOM 509 CE2 PHE A 117 5.437 5.597 -3.928 1.00 0.00 C ATOM 510 CZ PHE A 117 5.655 4.245 -3.751 1.00 0.00 C ATOM 0 H PHE A 117 8.385 5.785 1.048 1.00 0.00 H new ATOM 0 HA PHE A 117 8.865 7.106 -1.553 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.432 6.739 0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 117 6.488 8.015 -0.984 1.00 0.00 H new ATOM 0 HD1 PHE A 117 7.142 4.334 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE A 117 5.663 7.550 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 117 6.437 2.735 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 117 4.956 5.954 -4.827 1.00 0.00 H new ATOM 0 HZ PHE A 117 5.347 3.543 -4.512 1.00 0.00 H new ATOM 520 N ALA A 118 9.292 8.317 1.340 1.00 0.00 N ATOM 521 CA ALA A 118 9.689 9.490 2.110 1.00 0.00 C ATOM 522 C ALA A 118 10.713 10.324 1.349 1.00 0.00 C ATOM 523 O ALA A 118 10.616 11.549 1.269 1.00 0.00 O ATOM 524 CB ALA A 118 10.246 9.070 3.462 1.00 0.00 C ATOM 0 H ALA A 118 9.453 7.428 1.813 1.00 0.00 H new ATOM 0 HA ALA A 118 8.804 10.106 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.538 9.956 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.483 8.523 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 118 11.116 8.430 3.314 1.00 0.00 H new ATOM 530 N PRO A 119 11.721 9.649 0.776 1.00 0.00 N ATOM 531 CA PRO A 119 12.783 10.309 0.012 1.00 0.00 C ATOM 532 C PRO A 119 12.234 11.305 -1.003 1.00 0.00 C ATOM 533 O PRO A 119 12.962 12.163 -1.502 1.00 0.00 O ATOM 534 CB PRO A 119 13.480 9.148 -0.702 1.00 0.00 C ATOM 535 CG PRO A 119 13.220 7.962 0.161 1.00 0.00 C ATOM 536 CD PRO A 119 11.900 8.188 0.831 1.00 0.00 C ATOM 0 HA PRO A 119 13.444 10.892 0.653 1.00 0.00 H new ATOM 0 HB2 PRO A 119 13.080 9.003 -1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 119 14.549 9.333 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 119 13.199 7.049 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO A 119 14.012 7.842 0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 119 11.095 7.667 0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 119 11.906 7.825 1.859 1.00 0.00 H new ATOM 544 N PHE A 120 10.945 11.186 -1.304 1.00 0.00 N ATOM 545 CA PHE A 120 10.297 12.077 -2.260 1.00 0.00 C ATOM 546 C PHE A 120 9.710 13.296 -1.556 1.00 0.00 C ATOM 547 O PHE A 120 9.767 14.412 -2.072 1.00 0.00 O ATOM 548 CB PHE A 120 9.197 11.332 -3.019 1.00 0.00 C ATOM 549 CG PHE A 120 9.672 10.069 -3.678 1.00 0.00 C ATOM 550 CD1 PHE A 120 10.620 10.113 -4.688 1.00 0.00 C ATOM 551 CD2 PHE A 120 9.172 8.838 -3.287 1.00 0.00 C ATOM 552 CE1 PHE A 120 11.058 8.953 -5.296 1.00 0.00 C ATOM 553 CE2 PHE A 120 9.607 7.673 -3.891 1.00 0.00 C ATOM 554 CZ PHE A 120 10.553 7.731 -4.897 1.00 0.00 C ATOM 0 H PHE A 120 10.328 10.481 -0.900 1.00 0.00 H new ATOM 0 HA PHE A 120 11.051 12.418 -2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 120 8.390 11.090 -2.328 1.00 0.00 H new ATOM 0 HB3 PHE A 120 8.779 11.993 -3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 120 11.021 11.065 -5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 120 8.433 8.788 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 120 11.795 9.001 -6.084 1.00 0.00 H new ATOM 0 HE2 PHE A 120 9.208 6.719 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 120 10.897 6.823 -5.370 1.00 0.00 H new ATOM 564 N GLY A 121 9.144 13.074 -0.373 1.00 0.00 N ATOM 565 CA GLY A 121 8.553 14.163 0.382 1.00 0.00 C ATOM 566 C GLY A 121 7.774 13.676 1.588 1.00 0.00 C ATOM 567 O GLY A 121 7.496 12.484 1.717 1.00 0.00 O ATOM 0 H GLY A 121 9.084 12.160 0.075 1.00 0.00 H new ATOM 0 HA2 GLY A 121 9.340 14.842 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 121 7.891 14.734 -0.268 1.00 0.00 H new ATOM 571 N LYS A 122 7.422 14.600 2.476 1.00 0.00 N ATOM 572 CA LYS A 122 6.671 14.260 3.678 1.00 0.00 C ATOM 573 C LYS A 122 5.390 13.510 3.326 1.00 0.00 C ATOM 574 O LYS A 122 4.589 13.977 2.515 1.00 0.00 O ATOM 575 CB LYS A 122 6.332 15.526 4.468 1.00 0.00 C ATOM 576 CG LYS A 122 5.570 15.255 5.754 1.00 0.00 C ATOM 577 CD LYS A 122 6.490 14.740 6.849 1.00 0.00 C ATOM 578 CE LYS A 122 5.703 14.105 7.985 1.00 0.00 C ATOM 579 NZ LYS A 122 6.559 13.224 8.827 1.00 0.00 N ATOM 0 H LYS A 122 7.645 15.591 2.385 1.00 0.00 H new ATOM 0 HA LYS A 122 7.294 13.611 4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 122 7.256 16.053 4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.740 16.190 3.838 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.082 16.170 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.783 14.525 5.565 1.00 0.00 H new ATOM 0 HD2 LYS A 122 7.181 14.009 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.092 15.562 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.265 14.887 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.877 13.524 7.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.986 12.810 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.956 12.463 8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.333 13.783 9.239 1.00 0.00 H new ATOM 593 N ILE A 123 5.203 12.346 3.940 1.00 0.00 N ATOM 594 CA ILE A 123 4.019 11.534 3.692 1.00 0.00 C ATOM 595 C ILE A 123 2.944 11.793 4.743 1.00 0.00 C ATOM 596 O ILE A 123 3.225 11.812 5.941 1.00 0.00 O ATOM 597 CB ILE A 123 4.358 10.032 3.681 1.00 0.00 C ATOM 598 CG1 ILE A 123 5.199 9.685 2.451 1.00 0.00 C ATOM 599 CG2 ILE A 123 3.084 9.201 3.710 1.00 0.00 C ATOM 600 CD1 ILE A 123 5.838 8.316 2.522 1.00 0.00 C ATOM 0 H ILE A 123 5.857 11.945 4.613 1.00 0.00 H new ATOM 0 HA ILE A 123 3.641 11.820 2.710 1.00 0.00 H new ATOM 0 HB ILE A 123 4.940 9.800 4.573 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.568 9.737 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.980 10.436 2.332 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.340 8.142 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.520 9.431 4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 123 2.477 9.434 2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.419 8.138 1.617 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.495 8.266 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.061 7.556 2.610 1.00 0.00 H new ATOM 612 N SER A 124 1.712 11.992 4.285 1.00 0.00 N ATOM 613 CA SER A 124 0.595 12.252 5.186 1.00 0.00 C ATOM 614 C SER A 124 -0.227 10.987 5.411 1.00 0.00 C ATOM 615 O SER A 124 -0.598 10.668 6.541 1.00 0.00 O ATOM 616 CB SER A 124 -0.296 13.359 4.620 1.00 0.00 C ATOM 617 OG SER A 124 -0.915 12.949 3.413 1.00 0.00 O ATOM 0 H SER A 124 1.462 11.978 3.296 1.00 0.00 H new ATOM 0 HA SER A 124 1.001 12.576 6.145 1.00 0.00 H new ATOM 0 HB2 SER A 124 -1.059 13.625 5.351 1.00 0.00 H new ATOM 0 HB3 SER A 124 0.300 14.254 4.441 1.00 0.00 H new ATOM 0 HG SER A 124 -0.236 12.856 2.712 1.00 0.00 H new ATOM 623 N ASP A 125 -0.509 10.272 4.328 1.00 0.00 N ATOM 624 CA ASP A 125 -1.286 9.040 4.406 1.00 0.00 C ATOM 625 C ASP A 125 -0.734 7.988 3.449 1.00 0.00 C ATOM 626 O ASP A 125 -0.676 8.204 2.239 1.00 0.00 O ATOM 627 CB ASP A 125 -2.755 9.319 4.085 1.00 0.00 C ATOM 628 CG ASP A 125 -3.448 8.124 3.460 1.00 0.00 C ATOM 629 OD1 ASP A 125 -3.627 7.106 4.162 1.00 0.00 O ATOM 630 OD2 ASP A 125 -3.812 8.206 2.268 1.00 0.00 O ATOM 0 H ASP A 125 -0.211 10.524 3.385 1.00 0.00 H new ATOM 0 HA ASP A 125 -1.211 8.655 5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -3.277 9.600 5.000 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -2.820 10.169 3.406 1.00 0.00 H new ATOM 635 N ALA A 126 -0.330 6.848 4.001 1.00 0.00 N ATOM 636 CA ALA A 126 0.216 5.762 3.197 1.00 0.00 C ATOM 637 C ALA A 126 -0.217 4.405 3.741 1.00 0.00 C ATOM 638 O ALA A 126 -0.059 4.123 4.929 1.00 0.00 O ATOM 639 CB ALA A 126 1.734 5.853 3.148 1.00 0.00 C ATOM 0 H ALA A 126 -0.371 6.653 5.001 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.176 5.860 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.128 5.036 2.544 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.027 6.805 2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 126 2.135 5.784 4.159 1.00 0.00 H new ATOM 645 N ARG A 127 -0.765 3.568 2.865 1.00 0.00 N ATOM 646 CA ARG A 127 -1.223 2.241 3.259 1.00 0.00 C ATOM 647 C ARG A 127 -1.258 1.300 2.058 1.00 0.00 C ATOM 648 O ARG A 127 -1.440 1.734 0.921 1.00 0.00 O ATOM 649 CB ARG A 127 -2.611 2.326 3.895 1.00 0.00 C ATOM 650 CG ARG A 127 -3.748 2.236 2.891 1.00 0.00 C ATOM 651 CD ARG A 127 -5.097 2.132 3.584 1.00 0.00 C ATOM 652 NE ARG A 127 -5.431 0.753 3.928 1.00 0.00 N ATOM 653 CZ ARG A 127 -6.561 0.398 4.531 1.00 0.00 C ATOM 654 NH1 ARG A 127 -7.460 1.317 4.854 1.00 0.00 N ATOM 655 NH2 ARG A 127 -6.792 -0.878 4.810 1.00 0.00 N ATOM 0 H ARG A 127 -0.902 3.786 1.878 1.00 0.00 H new ATOM 0 HA ARG A 127 -0.520 1.843 3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -2.717 1.523 4.624 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -2.694 3.265 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.736 3.115 2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.600 1.368 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -5.087 2.739 4.489 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -5.871 2.541 2.934 1.00 0.00 H new ATOM 0 HE ARG A 127 -4.760 0.022 3.693 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -7.285 2.299 4.640 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -8.327 1.042 5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -6.102 -1.587 4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -7.659 -1.150 5.273 1.00 0.00 H new ATOM 669 N VAL A 128 -1.082 0.009 2.320 1.00 0.00 N ATOM 670 CA VAL A 128 -1.094 -0.994 1.262 1.00 0.00 C ATOM 671 C VAL A 128 -2.356 -1.847 1.327 1.00 0.00 C ATOM 672 O VAL A 128 -2.451 -2.774 2.131 1.00 0.00 O ATOM 673 CB VAL A 128 0.139 -1.914 1.346 1.00 0.00 C ATOM 674 CG1 VAL A 128 0.189 -2.617 2.694 1.00 0.00 C ATOM 675 CG2 VAL A 128 0.128 -2.924 0.209 1.00 0.00 C ATOM 0 H VAL A 128 -0.929 -0.367 3.256 1.00 0.00 H new ATOM 0 HA VAL A 128 -1.072 -0.455 0.315 1.00 0.00 H new ATOM 0 HB VAL A 128 1.035 -1.302 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.066 -3.263 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.247 -1.874 3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -0.711 -3.219 2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.006 -3.566 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -0.773 -3.534 0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.144 -2.398 -0.745 1.00 0.00 H new ATOM 685 N VAL A 129 -3.324 -1.527 0.475 1.00 0.00 N ATOM 686 CA VAL A 129 -4.582 -2.264 0.434 1.00 0.00 C ATOM 687 C VAL A 129 -4.335 -3.767 0.367 1.00 0.00 C ATOM 688 O VAL A 129 -3.554 -4.244 -0.457 1.00 0.00 O ATOM 689 CB VAL A 129 -5.441 -1.842 -0.773 1.00 0.00 C ATOM 690 CG1 VAL A 129 -6.741 -2.630 -0.805 1.00 0.00 C ATOM 691 CG2 VAL A 129 -5.716 -0.346 -0.733 1.00 0.00 C ATOM 0 H VAL A 129 -3.262 -0.762 -0.197 1.00 0.00 H new ATOM 0 HA VAL A 129 -5.118 -2.027 1.353 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.888 -2.063 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.334 -2.318 -1.664 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.519 -3.694 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -7.302 -2.443 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -6.324 -0.065 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.249 -0.098 0.185 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -4.772 0.198 -0.762 1.00 0.00 H new ATOM 701 N LYS A 130 -5.008 -4.511 1.239 1.00 0.00 N ATOM 702 CA LYS A 130 -4.864 -5.961 1.279 1.00 0.00 C ATOM 703 C LYS A 130 -6.222 -6.645 1.157 1.00 0.00 C ATOM 704 O LYS A 130 -7.265 -6.001 1.268 1.00 0.00 O ATOM 705 CB LYS A 130 -4.180 -6.391 2.579 1.00 0.00 C ATOM 706 CG LYS A 130 -2.670 -6.232 2.553 1.00 0.00 C ATOM 707 CD LYS A 130 -2.087 -6.216 3.956 1.00 0.00 C ATOM 708 CE LYS A 130 -2.064 -4.809 4.534 1.00 0.00 C ATOM 709 NZ LYS A 130 -1.355 -4.758 5.842 1.00 0.00 N ATOM 0 H LYS A 130 -5.659 -4.133 1.928 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.246 -6.263 0.433 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -4.585 -5.804 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -4.424 -7.434 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -2.227 -7.049 1.983 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -2.409 -5.307 2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -2.675 -6.867 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -1.074 -6.618 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -1.576 -4.135 3.830 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -3.086 -4.452 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -1.361 -3.782 6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -1.835 -5.381 6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -0.372 -5.074 5.717 1.00 0.00 H new ATOM 723 N ASP A 131 -6.201 -7.954 0.928 1.00 0.00 N ATOM 724 CA ASP A 131 -7.431 -8.726 0.793 1.00 0.00 C ATOM 725 C ASP A 131 -8.170 -8.809 2.125 1.00 0.00 C ATOM 726 O ASP A 131 -7.571 -8.650 3.189 1.00 0.00 O ATOM 727 CB ASP A 131 -7.121 -10.133 0.280 1.00 0.00 C ATOM 728 CG ASP A 131 -8.366 -10.875 -0.164 1.00 0.00 C ATOM 729 OD1 ASP A 131 -9.300 -10.218 -0.671 1.00 0.00 O ATOM 730 OD2 ASP A 131 -8.407 -12.113 -0.006 1.00 0.00 O ATOM 0 H ASP A 131 -5.346 -8.502 0.832 1.00 0.00 H new ATOM 0 HA ASP A 131 -8.072 -8.218 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.424 -10.067 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -6.624 -10.702 1.066 1.00 0.00 H new ATOM 735 N MET A 132 -9.473 -9.057 2.059 1.00 0.00 N ATOM 736 CA MET A 132 -10.294 -9.161 3.260 1.00 0.00 C ATOM 737 C MET A 132 -10.429 -10.615 3.702 1.00 0.00 C ATOM 738 O MET A 132 -10.884 -10.896 4.810 1.00 0.00 O ATOM 739 CB MET A 132 -11.679 -8.561 3.011 1.00 0.00 C ATOM 740 CG MET A 132 -12.257 -8.911 1.649 1.00 0.00 C ATOM 741 SD MET A 132 -13.966 -8.368 1.460 1.00 0.00 S ATOM 742 CE MET A 132 -13.958 -7.813 -0.243 1.00 0.00 C ATOM 0 H MET A 132 -9.984 -9.190 1.186 1.00 0.00 H new ATOM 0 HA MET A 132 -9.802 -8.602 4.056 1.00 0.00 H new ATOM 0 HB2 MET A 132 -12.361 -8.909 3.786 1.00 0.00 H new ATOM 0 HB3 MET A 132 -11.618 -7.477 3.103 1.00 0.00 H new ATOM 0 HG2 MET A 132 -11.646 -8.453 0.871 1.00 0.00 H new ATOM 0 HG3 MET A 132 -12.204 -9.990 1.502 1.00 0.00 H new ATOM 0 HE1 MET A 132 -14.949 -7.446 -0.511 1.00 0.00 H new ATOM 0 HE2 MET A 132 -13.230 -7.010 -0.361 1.00 0.00 H new ATOM 0 HE3 MET A 132 -13.690 -8.644 -0.895 1.00 0.00 H new ATOM 752 N ALA A 133 -10.031 -11.534 2.829 1.00 0.00 N ATOM 753 CA ALA A 133 -10.106 -12.958 3.130 1.00 0.00 C ATOM 754 C ALA A 133 -8.740 -13.509 3.524 1.00 0.00 C ATOM 755 O ALA A 133 -8.548 -13.980 4.646 1.00 0.00 O ATOM 756 CB ALA A 133 -10.661 -13.722 1.937 1.00 0.00 C ATOM 0 H ALA A 133 -9.653 -11.318 1.907 1.00 0.00 H new ATOM 0 HA ALA A 133 -10.780 -13.089 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -10.711 -14.784 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -11.660 -13.355 1.703 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -10.010 -13.575 1.076 1.00 0.00 H new ATOM 762 N THR A 134 -7.792 -13.447 2.595 1.00 0.00 N ATOM 763 CA THR A 134 -6.443 -13.941 2.844 1.00 0.00 C ATOM 764 C THR A 134 -5.616 -12.917 3.612 1.00 0.00 C ATOM 765 O THR A 134 -4.700 -13.274 4.353 1.00 0.00 O ATOM 766 CB THR A 134 -5.720 -14.288 1.529 1.00 0.00 C ATOM 767 OG1 THR A 134 -5.605 -13.118 0.711 1.00 0.00 O ATOM 768 CG2 THR A 134 -6.467 -15.373 0.770 1.00 0.00 C ATOM 0 H THR A 134 -7.933 -13.059 1.662 1.00 0.00 H new ATOM 0 HA THR A 134 -6.543 -14.846 3.444 1.00 0.00 H new ATOM 0 HB THR A 134 -4.725 -14.659 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 134 -6.487 -12.877 0.360 1.00 0.00 H new ATOM 0 HG21 THR A 134 -5.937 -15.601 -0.155 1.00 0.00 H new ATOM 0 HG22 THR A 134 -6.527 -16.271 1.384 1.00 0.00 H new ATOM 0 HG23 THR A 134 -7.473 -15.026 0.535 1.00 0.00 H new ATOM 776 N GLY A 135 -5.944 -11.641 3.431 1.00 0.00 N ATOM 777 CA GLY A 135 -5.221 -10.585 4.114 1.00 0.00 C ATOM 778 C GLY A 135 -3.856 -10.330 3.507 1.00 0.00 C ATOM 779 O GLY A 135 -2.908 -9.986 4.214 1.00 0.00 O ATOM 0 H GLY A 135 -6.698 -11.320 2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -5.807 -9.667 4.080 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -5.104 -10.850 5.165 1.00 0.00 H new ATOM 783 N LYS A 136 -3.753 -10.501 2.194 1.00 0.00 N ATOM 784 CA LYS A 136 -2.494 -10.288 1.490 1.00 0.00 C ATOM 785 C LYS A 136 -2.530 -8.990 0.690 1.00 0.00 C ATOM 786 O LYS A 136 -3.602 -8.484 0.360 1.00 0.00 O ATOM 787 CB LYS A 136 -2.201 -11.466 0.559 1.00 0.00 C ATOM 788 CG LYS A 136 -2.218 -12.814 1.259 1.00 0.00 C ATOM 789 CD LYS A 136 -0.843 -13.186 1.787 1.00 0.00 C ATOM 790 CE LYS A 136 -0.643 -12.699 3.214 1.00 0.00 C ATOM 791 NZ LYS A 136 0.790 -12.422 3.510 1.00 0.00 N ATOM 0 H LYS A 136 -4.527 -10.787 1.595 1.00 0.00 H new ATOM 0 HA LYS A 136 -1.700 -10.214 2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -2.937 -11.474 -0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -1.225 -11.319 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -2.930 -12.788 2.084 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -2.562 -13.581 0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -0.719 -14.268 1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -0.076 -12.755 1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -1.228 -11.794 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -1.019 -13.449 3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 0.884 -12.092 4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 1.345 -13.292 3.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 1.143 -11.688 2.863 1.00 0.00 H new ATOM 805 N SER A 137 -1.352 -8.458 0.379 1.00 0.00 N ATOM 806 CA SER A 137 -1.250 -7.218 -0.381 1.00 0.00 C ATOM 807 C SER A 137 -1.788 -7.403 -1.797 1.00 0.00 C ATOM 808 O SER A 137 -1.106 -7.947 -2.667 1.00 0.00 O ATOM 809 CB SER A 137 0.204 -6.745 -0.433 1.00 0.00 C ATOM 810 OG SER A 137 0.764 -6.675 0.867 1.00 0.00 O ATOM 0 H SER A 137 -0.455 -8.867 0.642 1.00 0.00 H new ATOM 0 HA SER A 137 -1.853 -6.462 0.122 1.00 0.00 H new ATOM 0 HB2 SER A 137 0.790 -7.427 -1.049 1.00 0.00 H new ATOM 0 HB3 SER A 137 0.254 -5.765 -0.907 1.00 0.00 H new ATOM 0 HG SER A 137 1.694 -6.372 0.807 1.00 0.00 H new ATOM 816 N LYS A 138 -3.015 -6.947 -2.022 1.00 0.00 N ATOM 817 CA LYS A 138 -3.646 -7.060 -3.331 1.00 0.00 C ATOM 818 C LYS A 138 -2.670 -6.680 -4.440 1.00 0.00 C ATOM 819 O LYS A 138 -2.675 -7.277 -5.516 1.00 0.00 O ATOM 820 CB LYS A 138 -4.887 -6.166 -3.401 1.00 0.00 C ATOM 821 CG LYS A 138 -6.024 -6.634 -2.510 1.00 0.00 C ATOM 822 CD LYS A 138 -7.376 -6.235 -3.077 1.00 0.00 C ATOM 823 CE LYS A 138 -8.501 -7.056 -2.465 1.00 0.00 C ATOM 824 NZ LYS A 138 -9.699 -7.101 -3.348 1.00 0.00 N ATOM 0 H LYS A 138 -3.593 -6.495 -1.314 1.00 0.00 H new ATOM 0 HA LYS A 138 -3.945 -8.098 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -4.609 -5.151 -3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -5.238 -6.125 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -5.980 -7.718 -2.401 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -5.906 -6.208 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -7.553 -5.176 -2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -7.372 -6.370 -4.159 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -8.150 -8.071 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -8.777 -6.631 -1.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -10.443 -7.670 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -10.050 -6.135 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -9.442 -7.530 -4.260 1.00 0.00 H new ATOM 838 N GLY A 139 -1.832 -5.684 -4.170 1.00 0.00 N ATOM 839 CA GLY A 139 -0.861 -5.243 -5.154 1.00 0.00 C ATOM 840 C GLY A 139 -1.025 -3.780 -5.515 1.00 0.00 C ATOM 841 O GLY A 139 -0.535 -3.331 -6.552 1.00 0.00 O ATOM 0 H GLY A 139 -1.808 -5.174 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 139 0.145 -5.408 -4.767 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -0.960 -5.849 -6.054 1.00 0.00 H new ATOM 845 N TYR A 140 -1.717 -3.035 -4.661 1.00 0.00 N ATOM 846 CA TYR A 140 -1.948 -1.615 -4.897 1.00 0.00 C ATOM 847 C TYR A 140 -2.233 -0.884 -3.589 1.00 0.00 C ATOM 848 O TYR A 140 -2.898 -1.415 -2.700 1.00 0.00 O ATOM 849 CB TYR A 140 -3.114 -1.422 -5.867 1.00 0.00 C ATOM 850 CG TYR A 140 -4.451 -1.842 -5.299 1.00 0.00 C ATOM 851 CD1 TYR A 140 -4.885 -3.159 -5.394 1.00 0.00 C ATOM 852 CD2 TYR A 140 -5.280 -0.923 -4.668 1.00 0.00 C ATOM 853 CE1 TYR A 140 -6.105 -3.548 -4.876 1.00 0.00 C ATOM 854 CE2 TYR A 140 -6.502 -1.304 -4.147 1.00 0.00 C ATOM 855 CZ TYR A 140 -6.910 -2.617 -4.254 1.00 0.00 C ATOM 856 OH TYR A 140 -8.126 -2.999 -3.737 1.00 0.00 O ATOM 0 H TYR A 140 -2.128 -3.391 -3.798 1.00 0.00 H new ATOM 0 HA TYR A 140 -1.044 -1.194 -5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -3.165 -0.372 -6.156 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -2.919 -1.993 -6.775 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -4.258 -3.891 -5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -4.964 0.106 -4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -6.427 -4.576 -4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 140 -7.134 -0.577 -3.659 1.00 0.00 H new ATOM 0 HH TYR A 140 -8.485 -3.744 -4.262 1.00 0.00 H new ATOM 866 N GLY A 141 -1.724 0.340 -3.479 1.00 0.00 N ATOM 867 CA GLY A 141 -1.935 1.125 -2.277 1.00 0.00 C ATOM 868 C GLY A 141 -2.150 2.596 -2.576 1.00 0.00 C ATOM 869 O GLY A 141 -2.323 2.983 -3.732 1.00 0.00 O ATOM 0 H GLY A 141 -1.170 0.801 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -2.800 0.736 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -1.074 1.013 -1.618 1.00 0.00 H new ATOM 873 N PHE A 142 -2.141 3.418 -1.532 1.00 0.00 N ATOM 874 CA PHE A 142 -2.339 4.854 -1.688 1.00 0.00 C ATOM 875 C PHE A 142 -1.314 5.636 -0.872 1.00 0.00 C ATOM 876 O PHE A 142 -0.955 5.241 0.238 1.00 0.00 O ATOM 877 CB PHE A 142 -3.755 5.244 -1.259 1.00 0.00 C ATOM 878 CG PHE A 142 -4.832 4.542 -2.036 1.00 0.00 C ATOM 879 CD1 PHE A 142 -5.256 5.037 -3.259 1.00 0.00 C ATOM 880 CD2 PHE A 142 -5.419 3.388 -1.544 1.00 0.00 C ATOM 881 CE1 PHE A 142 -6.247 4.393 -3.976 1.00 0.00 C ATOM 882 CE2 PHE A 142 -6.410 2.739 -2.257 1.00 0.00 C ATOM 883 CZ PHE A 142 -6.824 3.242 -3.475 1.00 0.00 C ATOM 0 H PHE A 142 -1.999 3.114 -0.569 1.00 0.00 H new ATOM 0 HA PHE A 142 -2.204 5.102 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -3.879 5.022 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -3.878 6.321 -1.375 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -4.807 5.936 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -5.099 2.990 -0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -6.570 4.789 -4.927 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -6.860 1.840 -1.862 1.00 0.00 H new ATOM 0 HZ PHE A 142 -7.597 2.737 -4.035 1.00 0.00 H new ATOM 893 N VAL A 143 -0.847 6.748 -1.430 1.00 0.00 N ATOM 894 CA VAL A 143 0.136 7.588 -0.754 1.00 0.00 C ATOM 895 C VAL A 143 -0.101 9.063 -1.056 1.00 0.00 C ATOM 896 O VAL A 143 0.108 9.519 -2.180 1.00 0.00 O ATOM 897 CB VAL A 143 1.572 7.214 -1.169 1.00 0.00 C ATOM 898 CG1 VAL A 143 2.570 8.205 -0.589 1.00 0.00 C ATOM 899 CG2 VAL A 143 1.901 5.795 -0.731 1.00 0.00 C ATOM 0 H VAL A 143 -1.133 7.089 -2.348 1.00 0.00 H new ATOM 0 HA VAL A 143 0.018 7.416 0.316 1.00 0.00 H new ATOM 0 HB VAL A 143 1.641 7.259 -2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 143 3.579 7.925 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 143 2.345 9.206 -0.957 1.00 0.00 H new ATOM 0 HG13 VAL A 143 2.502 8.195 0.499 1.00 0.00 H new ATOM 0 HG21 VAL A 143 2.919 5.548 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 143 1.815 5.720 0.353 1.00 0.00 H new ATOM 0 HG23 VAL A 143 1.205 5.099 -1.199 1.00 0.00 H new ATOM 909 N SER A 144 -0.538 9.805 -0.044 1.00 0.00 N ATOM 910 CA SER A 144 -0.807 11.230 -0.201 1.00 0.00 C ATOM 911 C SER A 144 0.441 12.055 0.098 1.00 0.00 C ATOM 912 O SER A 144 1.237 11.704 0.969 1.00 0.00 O ATOM 913 CB SER A 144 -1.949 11.660 0.721 1.00 0.00 C ATOM 914 OG SER A 144 -3.083 10.826 0.553 1.00 0.00 O ATOM 0 H SER A 144 -0.713 9.443 0.894 1.00 0.00 H new ATOM 0 HA SER A 144 -1.099 11.407 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 144 -1.617 11.622 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 144 -2.220 12.695 0.511 1.00 0.00 H new ATOM 0 HG SER A 144 -3.536 11.055 -0.285 1.00 0.00 H new ATOM 920 N PHE A 145 0.605 13.154 -0.631 1.00 0.00 N ATOM 921 CA PHE A 145 1.756 14.029 -0.446 1.00 0.00 C ATOM 922 C PHE A 145 1.311 15.446 -0.098 1.00 0.00 C ATOM 923 O PHE A 145 0.247 15.897 -0.523 1.00 0.00 O ATOM 924 CB PHE A 145 2.617 14.049 -1.711 1.00 0.00 C ATOM 925 CG PHE A 145 3.622 12.934 -1.770 1.00 0.00 C ATOM 926 CD1 PHE A 145 3.288 11.713 -2.333 1.00 0.00 C ATOM 927 CD2 PHE A 145 4.899 13.107 -1.264 1.00 0.00 C ATOM 928 CE1 PHE A 145 4.210 10.685 -2.388 1.00 0.00 C ATOM 929 CE2 PHE A 145 5.826 12.083 -1.316 1.00 0.00 C ATOM 930 CZ PHE A 145 5.481 10.871 -1.881 1.00 0.00 C ATOM 0 H PHE A 145 -0.045 13.460 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 145 2.348 13.639 0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 145 1.967 13.988 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 145 3.141 15.003 -1.769 1.00 0.00 H new ATOM 0 HD1 PHE A 145 2.296 11.563 -2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 145 5.174 14.054 -0.823 1.00 0.00 H new ATOM 0 HE1 PHE A 145 3.937 9.737 -2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 145 6.818 12.230 -0.916 1.00 0.00 H new ATOM 0 HZ PHE A 145 6.204 10.070 -1.926 1.00 0.00 H new ATOM 940 N TYR A 146 2.132 16.144 0.680 1.00 0.00 N ATOM 941 CA TYR A 146 1.823 17.508 1.088 1.00 0.00 C ATOM 942 C TYR A 146 1.645 18.414 -0.126 1.00 0.00 C ATOM 943 O TYR A 146 0.688 19.184 -0.205 1.00 0.00 O ATOM 944 CB TYR A 146 2.931 18.057 1.989 1.00 0.00 C ATOM 945 CG TYR A 146 2.713 17.775 3.458 1.00 0.00 C ATOM 946 CD1 TYR A 146 2.846 16.489 3.966 1.00 0.00 C ATOM 947 CD2 TYR A 146 2.372 18.795 4.338 1.00 0.00 C ATOM 948 CE1 TYR A 146 2.647 16.227 5.308 1.00 0.00 C ATOM 949 CE2 TYR A 146 2.172 18.542 5.682 1.00 0.00 C ATOM 950 CZ TYR A 146 2.311 17.256 6.161 1.00 0.00 C ATOM 951 OH TYR A 146 2.111 17.000 7.499 1.00 0.00 O ATOM 0 H TYR A 146 3.017 15.786 1.040 1.00 0.00 H new ATOM 0 HA TYR A 146 0.886 17.489 1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 146 3.884 17.626 1.682 1.00 0.00 H new ATOM 0 HB3 TYR A 146 3.007 19.134 1.842 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.109 15.680 3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 146 2.261 19.803 3.965 1.00 0.00 H new ATOM 0 HE1 TYR A 146 2.754 15.221 5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 146 1.909 19.346 6.353 1.00 0.00 H new ATOM 0 HH TYR A 146 1.882 17.833 7.961 1.00 0.00 H new ATOM 961 N ASN A 147 2.573 18.314 -1.072 1.00 0.00 N ATOM 962 CA ASN A 147 2.519 19.124 -2.284 1.00 0.00 C ATOM 963 C ASN A 147 2.651 18.250 -3.528 1.00 0.00 C ATOM 964 O ASN A 147 3.047 17.087 -3.445 1.00 0.00 O ATOM 965 CB ASN A 147 3.628 20.177 -2.268 1.00 0.00 C ATOM 966 CG ASN A 147 3.193 21.465 -1.596 1.00 0.00 C ATOM 967 OD1 ASN A 147 3.219 21.579 -0.370 1.00 0.00 O ATOM 968 ND2 ASN A 147 2.788 22.443 -2.398 1.00 0.00 N ATOM 0 H ASN A 147 3.371 17.681 -1.023 1.00 0.00 H new ATOM 0 HA ASN A 147 1.551 19.625 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 147 4.499 19.776 -1.749 1.00 0.00 H new ATOM 0 HB3 ASN A 147 3.937 20.391 -3.291 1.00 0.00 H new ATOM 0 HD21 ASN A 147 2.482 23.332 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A 147 2.783 22.305 -3.409 1.00 0.00 H new ATOM 975 N LYS A 148 2.316 18.818 -4.681 1.00 0.00 N ATOM 976 CA LYS A 148 2.398 18.093 -5.944 1.00 0.00 C ATOM 977 C LYS A 148 3.835 17.679 -6.242 1.00 0.00 C ATOM 978 O LYS A 148 4.144 16.490 -6.329 1.00 0.00 O ATOM 979 CB LYS A 148 1.857 18.956 -7.087 1.00 0.00 C ATOM 980 CG LYS A 148 1.981 18.303 -8.453 1.00 0.00 C ATOM 981 CD LYS A 148 0.991 18.891 -9.444 1.00 0.00 C ATOM 982 CE LYS A 148 -0.340 18.155 -9.405 1.00 0.00 C ATOM 983 NZ LYS A 148 -1.414 18.915 -10.101 1.00 0.00 N ATOM 0 H LYS A 148 1.985 19.779 -4.767 1.00 0.00 H new ATOM 0 HA LYS A 148 1.790 17.192 -5.857 1.00 0.00 H new ATOM 0 HB2 LYS A 148 0.808 19.182 -6.895 1.00 0.00 H new ATOM 0 HB3 LYS A 148 2.391 19.906 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 148 2.995 18.434 -8.829 1.00 0.00 H new ATOM 0 HG3 LYS A 148 1.812 17.230 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 148 0.832 19.945 -9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 148 1.407 18.839 -10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -0.227 17.176 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -0.630 17.983 -8.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -2.305 18.381 -10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -1.539 19.839 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -1.149 19.057 -11.097 1.00 0.00 H new ATOM 997 N LEU A 149 4.711 18.667 -6.395 1.00 0.00 N ATOM 998 CA LEU A 149 6.117 18.405 -6.681 1.00 0.00 C ATOM 999 C LEU A 149 6.612 17.187 -5.908 1.00 0.00 C ATOM 1000 O LEU A 149 7.204 16.273 -6.483 1.00 0.00 O ATOM 1001 CB LEU A 149 6.966 19.627 -6.327 1.00 0.00 C ATOM 1002 CG LEU A 149 8.471 19.490 -6.560 1.00 0.00 C ATOM 1003 CD1 LEU A 149 8.763 19.252 -8.034 1.00 0.00 C ATOM 1004 CD2 LEU A 149 9.203 20.727 -6.062 1.00 0.00 C ATOM 0 H LEU A 149 4.472 19.656 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 149 6.213 18.200 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 149 6.605 20.476 -6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 149 6.802 19.866 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 149 8.830 18.629 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.839 19.157 -8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 149 8.270 18.336 -8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 149 8.390 20.092 -8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.273 20.611 -6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 149 8.841 21.604 -6.598 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.021 20.853 -4.995 1.00 0.00 H new ATOM 1016 N ASP A 150 6.365 17.180 -4.603 1.00 0.00 N ATOM 1017 CA ASP A 150 6.782 16.072 -3.752 1.00 0.00 C ATOM 1018 C ASP A 150 6.227 14.749 -4.270 1.00 0.00 C ATOM 1019 O ASP A 150 6.911 13.726 -4.247 1.00 0.00 O ATOM 1020 CB ASP A 150 6.320 16.305 -2.312 1.00 0.00 C ATOM 1021 CG ASP A 150 7.133 17.374 -1.609 1.00 0.00 C ATOM 1022 OD1 ASP A 150 8.291 17.603 -2.016 1.00 0.00 O ATOM 1023 OD2 ASP A 150 6.610 17.983 -0.653 1.00 0.00 O ATOM 0 H ASP A 150 5.878 17.929 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 150 7.871 16.021 -3.772 1.00 0.00 H new ATOM 0 HB2 ASP A 150 5.269 16.594 -2.313 1.00 0.00 H new ATOM 0 HB3 ASP A 150 6.393 15.371 -1.754 1.00 0.00 H new ATOM 1028 N ALA A 151 4.983 14.777 -4.735 1.00 0.00 N ATOM 1029 CA ALA A 151 4.336 13.581 -5.260 1.00 0.00 C ATOM 1030 C ALA A 151 5.004 13.115 -6.549 1.00 0.00 C ATOM 1031 O ALA A 151 5.369 11.948 -6.682 1.00 0.00 O ATOM 1032 CB ALA A 151 2.855 13.841 -5.495 1.00 0.00 C ATOM 0 H ALA A 151 4.403 15.615 -4.759 1.00 0.00 H new ATOM 0 HA ALA A 151 4.441 12.788 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.385 12.939 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 151 2.380 14.118 -4.554 1.00 0.00 H new ATOM 0 HB3 ALA A 151 2.738 14.653 -6.213 1.00 0.00 H new ATOM 1038 N GLU A 152 5.162 14.036 -7.494 1.00 0.00 N ATOM 1039 CA GLU A 152 5.786 13.718 -8.773 1.00 0.00 C ATOM 1040 C GLU A 152 7.111 12.991 -8.566 1.00 0.00 C ATOM 1041 O GLU A 152 7.372 11.964 -9.192 1.00 0.00 O ATOM 1042 CB GLU A 152 6.013 14.994 -9.586 1.00 0.00 C ATOM 1043 CG GLU A 152 4.871 15.326 -10.531 1.00 0.00 C ATOM 1044 CD GLU A 152 4.491 14.157 -11.420 1.00 0.00 C ATOM 1045 OE1 GLU A 152 5.282 13.195 -11.504 1.00 0.00 O ATOM 1046 OE2 GLU A 152 3.403 14.205 -12.030 1.00 0.00 O ATOM 0 H GLU A 152 4.867 15.008 -7.398 1.00 0.00 H new ATOM 0 HA GLU A 152 5.113 13.060 -9.323 1.00 0.00 H new ATOM 0 HB2 GLU A 152 6.161 15.829 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 152 6.932 14.888 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 152 4.001 15.634 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 152 5.155 16.174 -11.154 1.00 0.00 H new ATOM 1053 N ASN A 153 7.944 13.531 -7.683 1.00 0.00 N ATOM 1054 CA ASN A 153 9.244 12.935 -7.394 1.00 0.00 C ATOM 1055 C ASN A 153 9.134 11.417 -7.291 1.00 0.00 C ATOM 1056 O ASN A 153 10.036 10.690 -7.708 1.00 0.00 O ATOM 1057 CB ASN A 153 9.812 13.506 -6.093 1.00 0.00 C ATOM 1058 CG ASN A 153 10.187 14.970 -6.219 1.00 0.00 C ATOM 1059 OD1 ASN A 153 10.645 15.416 -7.271 1.00 0.00 O ATOM 1060 ND2 ASN A 153 9.995 15.725 -5.144 1.00 0.00 N ATOM 0 H ASN A 153 7.743 14.380 -7.155 1.00 0.00 H new ATOM 0 HA ASN A 153 9.919 13.178 -8.215 1.00 0.00 H new ATOM 0 HB2 ASN A 153 9.077 13.389 -5.297 1.00 0.00 H new ATOM 0 HB3 ASN A 153 10.692 12.932 -5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 153 10.230 16.717 -5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 153 9.613 15.313 -4.293 1.00 0.00 H new ATOM 1067 N ALA A 154 8.024 10.945 -6.733 1.00 0.00 N ATOM 1068 CA ALA A 154 7.796 9.514 -6.578 1.00 0.00 C ATOM 1069 C ALA A 154 7.174 8.918 -7.836 1.00 0.00 C ATOM 1070 O ALA A 154 7.697 7.958 -8.403 1.00 0.00 O ATOM 1071 CB ALA A 154 6.908 9.249 -5.371 1.00 0.00 C ATOM 0 H ALA A 154 7.269 11.533 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 154 8.761 9.032 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 154 6.746 8.176 -5.267 1.00 0.00 H new ATOM 0 HB2 ALA A 154 7.392 9.632 -4.472 1.00 0.00 H new ATOM 0 HB3 ALA A 154 5.949 9.749 -5.508 1.00 0.00 H new ATOM 1077 N ILE A 155 6.055 9.492 -8.266 1.00 0.00 N ATOM 1078 CA ILE A 155 5.363 9.016 -9.458 1.00 0.00 C ATOM 1079 C ILE A 155 6.334 8.819 -10.616 1.00 0.00 C ATOM 1080 O ILE A 155 6.169 7.911 -11.431 1.00 0.00 O ATOM 1081 CB ILE A 155 4.255 9.994 -9.892 1.00 0.00 C ATOM 1082 CG1 ILE A 155 3.089 9.950 -8.903 1.00 0.00 C ATOM 1083 CG2 ILE A 155 3.776 9.661 -11.298 1.00 0.00 C ATOM 1084 CD1 ILE A 155 2.077 11.055 -9.111 1.00 0.00 C ATOM 0 H ILE A 155 5.609 10.286 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 155 4.911 8.058 -9.200 1.00 0.00 H new ATOM 0 HB ILE A 155 4.664 11.004 -9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 155 2.586 8.987 -8.990 1.00 0.00 H new ATOM 0 HG13 ILE A 155 3.482 10.014 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 155 2.993 10.361 -11.591 1.00 0.00 H new ATOM 0 HG22 ILE A 155 4.611 9.738 -11.995 1.00 0.00 H new ATOM 0 HG23 ILE A 155 3.381 8.645 -11.317 1.00 0.00 H new ATOM 0 HD11 ILE A 155 1.279 10.961 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE A 155 2.566 12.022 -8.995 1.00 0.00 H new ATOM 0 HD13 ILE A 155 1.656 10.979 -10.114 1.00 0.00 H new ATOM 1096 N VAL A 156 7.349 9.674 -10.682 1.00 0.00 N ATOM 1097 CA VAL A 156 8.351 9.593 -11.739 1.00 0.00 C ATOM 1098 C VAL A 156 9.402 8.536 -11.420 1.00 0.00 C ATOM 1099 O VAL A 156 9.760 7.723 -12.272 1.00 0.00 O ATOM 1100 CB VAL A 156 9.049 10.948 -11.956 1.00 0.00 C ATOM 1101 CG1 VAL A 156 10.031 10.863 -13.115 1.00 0.00 C ATOM 1102 CG2 VAL A 156 8.022 12.044 -12.196 1.00 0.00 C ATOM 0 H VAL A 156 7.500 10.431 -10.016 1.00 0.00 H new ATOM 0 HA VAL A 156 7.826 9.314 -12.652 1.00 0.00 H new ATOM 0 HB VAL A 156 9.608 11.197 -11.054 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.515 11.830 -13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.786 10.107 -12.898 1.00 0.00 H new ATOM 0 HG13 VAL A 156 9.497 10.591 -14.025 1.00 0.00 H new ATOM 0 HG21 VAL A 156 8.533 12.995 -12.347 1.00 0.00 H new ATOM 0 HG22 VAL A 156 7.433 11.803 -13.081 1.00 0.00 H new ATOM 0 HG23 VAL A 156 7.362 12.120 -11.332 1.00 0.00 H new ATOM 1112 N HIS A 157 9.894 8.554 -10.185 1.00 0.00 N ATOM 1113 CA HIS A 157 10.905 7.596 -9.751 1.00 0.00 C ATOM 1114 C HIS A 157 10.287 6.221 -9.518 1.00 0.00 C ATOM 1115 O HIS A 157 10.600 5.261 -10.222 1.00 0.00 O ATOM 1116 CB HIS A 157 11.587 8.085 -8.473 1.00 0.00 C ATOM 1117 CG HIS A 157 12.746 8.999 -8.725 1.00 0.00 C ATOM 1118 ND1 HIS A 157 14.035 8.546 -8.912 1.00 0.00 N ATOM 1119 CD2 HIS A 157 12.805 10.348 -8.821 1.00 0.00 C ATOM 1120 CE1 HIS A 157 14.837 9.577 -9.111 1.00 0.00 C ATOM 1121 NE2 HIS A 157 14.115 10.682 -9.061 1.00 0.00 N ATOM 0 H HIS A 157 9.609 9.221 -9.468 1.00 0.00 H new ATOM 0 HA HIS A 157 11.651 7.510 -10.541 1.00 0.00 H new ATOM 0 HB2 HIS A 157 10.854 8.603 -7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 157 11.932 7.223 -7.902 1.00 0.00 H new ATOM 0 HD2 HIS A 157 11.976 11.034 -8.726 1.00 0.00 H new ATOM 0 HE1 HIS A 157 15.902 9.525 -9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 157 14.473 11.630 -9.181 1.00 0.00 H new ATOM 1130 N MET A 158 9.407 6.134 -8.525 1.00 0.00 N ATOM 1131 CA MET A 158 8.744 4.876 -8.200 1.00 0.00 C ATOM 1132 C MET A 158 8.312 4.146 -9.467 1.00 0.00 C ATOM 1133 O MET A 158 8.568 2.953 -9.626 1.00 0.00 O ATOM 1134 CB MET A 158 7.530 5.132 -7.305 1.00 0.00 C ATOM 1135 CG MET A 158 7.887 5.727 -5.952 1.00 0.00 C ATOM 1136 SD MET A 158 8.436 4.483 -4.769 1.00 0.00 S ATOM 1137 CE MET A 158 10.100 4.170 -5.354 1.00 0.00 C ATOM 0 H MET A 158 9.137 6.919 -7.932 1.00 0.00 H new ATOM 0 HA MET A 158 9.455 4.247 -7.665 1.00 0.00 H new ATOM 0 HB2 MET A 158 6.845 5.806 -7.820 1.00 0.00 H new ATOM 0 HB3 MET A 158 6.998 4.193 -7.151 1.00 0.00 H new ATOM 0 HG2 MET A 158 8.673 6.470 -6.083 1.00 0.00 H new ATOM 0 HG3 MET A 158 7.019 6.248 -5.548 1.00 0.00 H new ATOM 0 HE1 MET A 158 10.145 3.181 -5.810 1.00 0.00 H new ATOM 0 HE2 MET A 158 10.374 4.923 -6.093 1.00 0.00 H new ATOM 0 HE3 MET A 158 10.795 4.215 -4.516 1.00 0.00 H new ATOM 1147 N GLY A 159 7.654 4.871 -10.368 1.00 0.00 N ATOM 1148 CA GLY A 159 7.196 4.274 -11.609 1.00 0.00 C ATOM 1149 C GLY A 159 8.160 3.232 -12.141 1.00 0.00 C ATOM 1150 O GLY A 159 9.198 3.569 -12.708 1.00 0.00 O ATOM 0 H GLY A 159 7.430 5.860 -10.260 1.00 0.00 H new ATOM 0 HA2 GLY A 159 6.221 3.814 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 159 7.061 5.056 -12.357 1.00 0.00 H new ATOM 1154 N GLY A 160 7.816 1.961 -11.957 1.00 0.00 N ATOM 1155 CA GLY A 160 8.670 0.886 -12.427 1.00 0.00 C ATOM 1156 C GLY A 160 9.802 0.582 -11.466 1.00 0.00 C ATOM 1157 O GLY A 160 10.234 -0.565 -11.349 1.00 0.00 O ATOM 0 H GLY A 160 6.961 1.657 -11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 160 8.071 -0.013 -12.573 1.00 0.00 H new ATOM 0 HA3 GLY A 160 9.085 1.154 -13.399 1.00 0.00 H new ATOM 1161 N GLN A 161 10.284 1.612 -10.778 1.00 0.00 N ATOM 1162 CA GLN A 161 11.375 1.448 -9.824 1.00 0.00 C ATOM 1163 C GLN A 161 11.290 0.095 -9.125 1.00 0.00 C ATOM 1164 O GLN A 161 10.202 -0.448 -8.935 1.00 0.00 O ATOM 1165 CB GLN A 161 11.347 2.573 -8.787 1.00 0.00 C ATOM 1166 CG GLN A 161 12.358 2.393 -7.667 1.00 0.00 C ATOM 1167 CD GLN A 161 13.771 2.736 -8.096 1.00 0.00 C ATOM 1168 OE1 GLN A 161 14.594 1.850 -8.329 1.00 0.00 O ATOM 1169 NE2 GLN A 161 14.061 4.027 -8.202 1.00 0.00 N ATOM 0 H GLN A 161 9.937 2.567 -10.863 1.00 0.00 H new ATOM 0 HA GLN A 161 12.315 1.493 -10.375 1.00 0.00 H new ATOM 0 HB2 GLN A 161 11.537 3.522 -9.288 1.00 0.00 H new ATOM 0 HB3 GLN A 161 10.347 2.634 -8.357 1.00 0.00 H new ATOM 0 HG2 GLN A 161 12.076 3.022 -6.823 1.00 0.00 H new ATOM 0 HG3 GLN A 161 12.329 1.361 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 161 13.348 4.728 -7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 161 14.996 4.318 -8.486 1.00 0.00 H new ATOM 1178 N TRP A 162 12.443 -0.443 -8.747 1.00 0.00 N ATOM 1179 CA TRP A 162 12.498 -1.734 -8.070 1.00 0.00 C ATOM 1180 C TRP A 162 12.657 -1.553 -6.564 1.00 0.00 C ATOM 1181 O TRP A 162 13.774 -1.443 -6.057 1.00 0.00 O ATOM 1182 CB TRP A 162 13.653 -2.573 -8.620 1.00 0.00 C ATOM 1183 CG TRP A 162 13.452 -3.002 -10.041 1.00 0.00 C ATOM 1184 CD1 TRP A 162 13.788 -2.301 -11.165 1.00 0.00 C ATOM 1185 CD2 TRP A 162 12.866 -4.228 -10.492 1.00 0.00 C ATOM 1186 NE1 TRP A 162 13.446 -3.018 -12.286 1.00 0.00 N ATOM 1187 CE2 TRP A 162 12.880 -4.204 -11.900 1.00 0.00 C ATOM 1188 CE3 TRP A 162 12.333 -5.345 -9.842 1.00 0.00 C ATOM 1189 CZ2 TRP A 162 12.380 -5.253 -12.667 1.00 0.00 C ATOM 1190 CZ3 TRP A 162 11.837 -6.385 -10.605 1.00 0.00 C ATOM 1191 CH2 TRP A 162 11.864 -6.334 -12.005 1.00 0.00 C ATOM 0 H TRP A 162 13.352 -0.006 -8.897 1.00 0.00 H new ATOM 0 HA TRP A 162 11.559 -2.254 -8.257 1.00 0.00 H new ATOM 0 HB2 TRP A 162 14.576 -1.998 -8.549 1.00 0.00 H new ATOM 0 HB3 TRP A 162 13.780 -3.457 -7.996 1.00 0.00 H new ATOM 0 HD1 TRP A 162 14.254 -1.327 -11.171 1.00 0.00 H new ATOM 0 HE1 TRP A 162 13.590 -2.716 -13.250 1.00 0.00 H new ATOM 0 HE3 TRP A 162 12.309 -5.394 -8.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 12.399 -5.215 -13.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 11.421 -7.252 -10.114 1.00 0.00 H new ATOM 0 HH2 TRP A 162 11.470 -7.164 -12.573 1.00 0.00 H new ATOM 1202 N LEU A 163 11.534 -1.521 -5.855 1.00 0.00 N ATOM 1203 CA LEU A 163 11.549 -1.353 -4.406 1.00 0.00 C ATOM 1204 C LEU A 163 11.686 -2.700 -3.703 1.00 0.00 C ATOM 1205 O LEU A 163 12.730 -3.010 -3.130 1.00 0.00 O ATOM 1206 CB LEU A 163 10.273 -0.650 -3.941 1.00 0.00 C ATOM 1207 CG LEU A 163 10.274 -0.142 -2.499 1.00 0.00 C ATOM 1208 CD1 LEU A 163 9.176 0.892 -2.297 1.00 0.00 C ATOM 1209 CD2 LEU A 163 10.105 -1.299 -1.526 1.00 0.00 C ATOM 0 H LEU A 163 10.602 -1.609 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 163 12.411 -0.738 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 163 10.086 0.196 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 163 9.438 -1.340 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 163 11.234 0.334 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 163 9.192 1.242 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 163 9.341 1.734 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 163 8.207 0.441 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 163 10.108 -0.919 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 163 9.159 -1.804 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 163 10.926 -2.004 -1.653 1.00 0.00 H new ATOM 1221 N GLY A 164 10.624 -3.499 -3.753 1.00 0.00 N ATOM 1222 CA GLY A 164 10.647 -4.804 -3.119 1.00 0.00 C ATOM 1223 C GLY A 164 10.402 -5.931 -4.103 1.00 0.00 C ATOM 1224 O GLY A 164 9.339 -6.009 -4.717 1.00 0.00 O ATOM 0 H GLY A 164 9.748 -3.265 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 164 11.612 -4.952 -2.635 1.00 0.00 H new ATOM 0 HA3 GLY A 164 9.889 -4.838 -2.336 1.00 0.00 H new ATOM 1228 N GLY A 165 11.391 -6.807 -4.255 1.00 0.00 N ATOM 1229 CA GLY A 165 11.259 -7.922 -5.174 1.00 0.00 C ATOM 1230 C GLY A 165 10.906 -7.477 -6.579 1.00 0.00 C ATOM 1231 O GLY A 165 11.788 -7.171 -7.382 1.00 0.00 O ATOM 0 H GLY A 165 12.281 -6.764 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 165 12.194 -8.482 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 165 10.490 -8.602 -4.808 1.00 0.00 H new ATOM 1235 N ARG A 166 9.612 -7.440 -6.879 1.00 0.00 N ATOM 1236 CA ARG A 166 9.144 -7.032 -8.198 1.00 0.00 C ATOM 1237 C ARG A 166 9.104 -5.511 -8.314 1.00 0.00 C ATOM 1238 O ARG A 166 9.401 -4.799 -7.355 1.00 0.00 O ATOM 1239 CB ARG A 166 7.755 -7.611 -8.472 1.00 0.00 C ATOM 1240 CG ARG A 166 7.711 -9.130 -8.439 1.00 0.00 C ATOM 1241 CD ARG A 166 6.348 -9.639 -7.997 1.00 0.00 C ATOM 1242 NE ARG A 166 6.095 -11.001 -8.461 1.00 0.00 N ATOM 1243 CZ ARG A 166 4.891 -11.562 -8.471 1.00 0.00 C ATOM 1244 NH1 ARG A 166 3.835 -10.882 -8.045 1.00 0.00 N ATOM 1245 NH2 ARG A 166 4.741 -12.805 -8.909 1.00 0.00 N ATOM 0 H ARG A 166 8.869 -7.688 -6.226 1.00 0.00 H new ATOM 0 HA ARG A 166 9.844 -7.418 -8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 166 7.055 -7.220 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 166 7.413 -7.267 -9.448 1.00 0.00 H new ATOM 0 HG2 ARG A 166 7.944 -9.523 -9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 166 8.477 -9.502 -7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 166 6.285 -9.609 -6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 166 5.572 -8.976 -8.379 1.00 0.00 H new ATOM 0 HE ARG A 166 6.886 -11.551 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 166 3.946 -9.926 -7.709 1.00 0.00 H new ATOM 0 HH12 ARG A 166 2.912 -11.315 -8.054 1.00 0.00 H new ATOM 0 HH21 ARG A 166 5.551 -13.331 -9.238 1.00 0.00 H new ATOM 0 HH22 ARG A 166 3.816 -13.235 -8.916 1.00 0.00 H new ATOM 1259 N GLN A 167 8.737 -5.022 -9.494 1.00 0.00 N ATOM 1260 CA GLN A 167 8.660 -3.586 -9.735 1.00 0.00 C ATOM 1261 C GLN A 167 7.397 -2.997 -9.115 1.00 0.00 C ATOM 1262 O GLN A 167 6.610 -3.709 -8.490 1.00 0.00 O ATOM 1263 CB GLN A 167 8.688 -3.297 -11.237 1.00 0.00 C ATOM 1264 CG GLN A 167 10.037 -3.566 -11.883 1.00 0.00 C ATOM 1265 CD GLN A 167 10.096 -3.101 -13.325 1.00 0.00 C ATOM 1266 OE1 GLN A 167 9.503 -3.715 -14.212 1.00 0.00 O ATOM 1267 NE2 GLN A 167 10.815 -2.010 -13.566 1.00 0.00 N ATOM 0 H GLN A 167 8.488 -5.599 -10.298 1.00 0.00 H new ATOM 0 HA GLN A 167 9.525 -3.118 -9.266 1.00 0.00 H new ATOM 0 HB2 GLN A 167 7.930 -3.906 -11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 167 8.416 -2.255 -11.403 1.00 0.00 H new ATOM 0 HG2 GLN A 167 10.816 -3.063 -11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 167 10.249 -4.634 -11.841 1.00 0.00 H new ATOM 0 HE21 GLN A 167 11.290 -1.533 -12.800 1.00 0.00 H new ATOM 0 HE22 GLN A 167 10.892 -1.650 -14.517 1.00 0.00 H new ATOM 1276 N ILE A 168 7.210 -1.693 -9.291 1.00 0.00 N ATOM 1277 CA ILE A 168 6.043 -1.009 -8.749 1.00 0.00 C ATOM 1278 C ILE A 168 5.471 -0.016 -9.756 1.00 0.00 C ATOM 1279 O ILE A 168 6.135 0.353 -10.724 1.00 0.00 O ATOM 1280 CB ILE A 168 6.382 -0.263 -7.445 1.00 0.00 C ATOM 1281 CG1 ILE A 168 7.510 0.742 -7.685 1.00 0.00 C ATOM 1282 CG2 ILE A 168 6.769 -1.252 -6.355 1.00 0.00 C ATOM 1283 CD1 ILE A 168 7.622 1.794 -6.605 1.00 0.00 C ATOM 0 H ILE A 168 7.852 -1.089 -9.805 1.00 0.00 H new ATOM 0 HA ILE A 168 5.299 -1.776 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 168 5.498 0.284 -7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 168 8.455 0.204 -7.757 1.00 0.00 H new ATOM 0 HG13 ILE A 168 7.350 1.234 -8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 168 7.006 -0.710 -5.439 1.00 0.00 H new ATOM 0 HG22 ILE A 168 5.938 -1.932 -6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 168 7.641 -1.823 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 168 8.442 2.472 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 168 6.691 2.357 -6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 168 7.814 1.312 -5.646 1.00 0.00 H new ATOM 1295 N ARG A 169 4.236 0.414 -9.519 1.00 0.00 N ATOM 1296 CA ARG A 169 3.575 1.365 -10.404 1.00 0.00 C ATOM 1297 C ARG A 169 3.062 2.570 -9.621 1.00 0.00 C ATOM 1298 O ARG A 169 2.752 2.467 -8.434 1.00 0.00 O ATOM 1299 CB ARG A 169 2.416 0.689 -11.139 1.00 0.00 C ATOM 1300 CG ARG A 169 2.152 1.266 -12.521 1.00 0.00 C ATOM 1301 CD ARG A 169 1.143 2.402 -12.466 1.00 0.00 C ATOM 1302 NE ARG A 169 1.316 3.341 -13.572 1.00 0.00 N ATOM 1303 CZ ARG A 169 0.351 4.137 -14.017 1.00 0.00 C ATOM 1304 NH1 ARG A 169 -0.849 4.109 -13.454 1.00 0.00 N ATOM 1305 NH2 ARG A 169 0.586 4.965 -15.028 1.00 0.00 N ATOM 0 H ARG A 169 3.673 0.119 -8.721 1.00 0.00 H new ATOM 0 HA ARG A 169 4.306 1.713 -11.134 1.00 0.00 H new ATOM 0 HB2 ARG A 169 2.629 -0.376 -11.234 1.00 0.00 H new ATOM 0 HB3 ARG A 169 1.512 0.781 -10.537 1.00 0.00 H new ATOM 0 HG2 ARG A 169 3.086 1.628 -12.950 1.00 0.00 H new ATOM 0 HG3 ARG A 169 1.782 0.481 -13.180 1.00 0.00 H new ATOM 0 HD2 ARG A 169 0.133 1.992 -12.493 1.00 0.00 H new ATOM 0 HD3 ARG A 169 1.246 2.933 -11.520 1.00 0.00 H new ATOM 0 HE ARG A 169 2.228 3.388 -14.027 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -1.033 3.475 -12.677 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -1.588 4.722 -13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 169 1.508 4.990 -15.463 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -0.156 5.576 -15.370 1.00 0.00 H new ATOM 1319 N THR A 170 2.974 3.713 -10.295 1.00 0.00 N ATOM 1320 CA THR A 170 2.500 4.937 -9.663 1.00 0.00 C ATOM 1321 C THR A 170 1.486 5.655 -10.546 1.00 0.00 C ATOM 1322 O THR A 170 1.445 5.444 -11.757 1.00 0.00 O ATOM 1323 CB THR A 170 3.664 5.897 -9.354 1.00 0.00 C ATOM 1324 OG1 THR A 170 4.526 6.005 -10.492 1.00 0.00 O ATOM 1325 CG2 THR A 170 4.461 5.411 -8.152 1.00 0.00 C ATOM 0 H THR A 170 3.225 3.816 -11.278 1.00 0.00 H new ATOM 0 HA THR A 170 2.022 4.645 -8.728 1.00 0.00 H new ATOM 0 HB THR A 170 3.246 6.877 -9.122 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.134 6.625 -11.142 1.00 0.00 H new ATOM 0 HG21 THR A 170 5.278 6.105 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 170 3.809 5.358 -7.280 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.868 4.422 -8.361 1.00 0.00 H new ATOM 1333 N ASN A 171 0.669 6.505 -9.932 1.00 0.00 N ATOM 1334 CA ASN A 171 -0.346 7.254 -10.664 1.00 0.00 C ATOM 1335 C ASN A 171 -1.009 8.292 -9.764 1.00 0.00 C ATOM 1336 O ASN A 171 -0.763 8.333 -8.559 1.00 0.00 O ATOM 1337 CB ASN A 171 -1.403 6.303 -11.230 1.00 0.00 C ATOM 1338 CG ASN A 171 -2.134 6.894 -12.420 1.00 0.00 C ATOM 1339 OD1 ASN A 171 -1.799 7.981 -12.891 1.00 0.00 O ATOM 1340 ND2 ASN A 171 -3.139 6.178 -12.911 1.00 0.00 N ATOM 0 H ASN A 171 0.690 6.692 -8.930 1.00 0.00 H new ATOM 0 HA ASN A 171 0.144 7.773 -11.488 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -0.926 5.369 -11.527 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -2.123 6.058 -10.449 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -3.669 6.524 -13.711 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -3.381 5.282 -12.488 1.00 0.00 H new ATOM 1347 N TRP A 172 -1.852 9.130 -10.359 1.00 0.00 N ATOM 1348 CA TRP A 172 -2.552 10.168 -9.611 1.00 0.00 C ATOM 1349 C TRP A 172 -3.938 9.695 -9.189 1.00 0.00 C ATOM 1350 O TRP A 172 -4.845 9.588 -10.014 1.00 0.00 O ATOM 1351 CB TRP A 172 -2.668 11.440 -10.452 1.00 0.00 C ATOM 1352 CG TRP A 172 -1.360 12.145 -10.648 1.00 0.00 C ATOM 1353 CD1 TRP A 172 -0.686 12.310 -11.824 1.00 0.00 C ATOM 1354 CD2 TRP A 172 -0.567 12.776 -9.637 1.00 0.00 C ATOM 1355 NE1 TRP A 172 0.478 13.007 -11.605 1.00 0.00 N ATOM 1356 CE2 TRP A 172 0.574 13.305 -10.272 1.00 0.00 C ATOM 1357 CE3 TRP A 172 -0.710 12.949 -8.258 1.00 0.00 C ATOM 1358 CZ2 TRP A 172 1.563 13.992 -9.573 1.00 0.00 C ATOM 1359 CZ3 TRP A 172 0.273 13.630 -7.566 1.00 0.00 C ATOM 1360 CH2 TRP A 172 1.397 14.146 -8.224 1.00 0.00 C ATOM 0 H TRP A 172 -2.067 9.111 -11.356 1.00 0.00 H new ATOM 0 HA TRP A 172 -1.974 10.386 -8.713 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -3.085 11.186 -11.427 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -3.371 12.121 -9.972 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -1.019 11.946 -12.785 1.00 0.00 H new ATOM 0 HE1 TRP A 172 1.160 13.261 -12.320 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -1.574 12.557 -7.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 2.431 14.389 -10.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 0.173 13.767 -6.499 1.00 0.00 H new ATOM 0 HH2 TRP A 172 2.147 14.676 -7.655 1.00 0.00 H new ATOM 1371 N ALA A 173 -4.095 9.412 -7.900 1.00 0.00 N ATOM 1372 CA ALA A 173 -5.372 8.952 -7.369 1.00 0.00 C ATOM 1373 C ALA A 173 -6.498 9.913 -7.735 1.00 0.00 C ATOM 1374 O ALA A 173 -7.483 9.523 -8.362 1.00 0.00 O ATOM 1375 CB ALA A 173 -5.287 8.787 -5.859 1.00 0.00 C ATOM 0 H ALA A 173 -3.354 9.493 -7.204 1.00 0.00 H new ATOM 0 HA ALA A 173 -5.596 7.984 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -6.248 8.443 -5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -4.516 8.055 -5.616 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -5.036 9.744 -5.402 1.00 0.00 H new