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 96 HIS : no HD1:sc= 0.755 K(o=1.7,f=-1.2) USER MOD Set 1.2: A 124 SER OG : rot 179:sc= 0.932 USER MOD Set 2.1: A 98 HIS : no HD1:sc= 0.84 K(o=2.2,f=-3.7) USER MOD Set 2.2: A 144 SER OG : rot 76:sc= 1.33 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 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 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 MET CE :methyl 177:sc= 0 (180deg=-0.00611) USER MOD Single : A 134 THR OG1 : rot 180:sc= -0.329 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+ -158:sc= -0.105 (180deg=-0.416) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 156 GLN : amide:sc= -0.672 K(o=-0.67,f=-0.0043) USER MOD Single : A 157 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 158 MET CE :methyl -167:sc= -0.986 (180deg=-1.45) USER MOD Single : A 161 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.14) USER MOD Single : A 167 GLN : amide:sc= 0.754 K(o=0.75,f=0) USER MOD Single : A 170 THR OG1 : rot 137:sc= 0.816 USER MOD Single : A 171 ASN : amide:sc= -0.73 K(o=-0.73,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 178 N HIS A 96 1.310 13.665 -7.276 1.00 0.00 N ATOM 179 CA HIS A 96 0.741 12.340 -7.465 1.00 0.00 C ATOM 180 C HIS A 96 -0.166 12.091 -6.255 1.00 0.00 C ATOM 181 O HIS A 96 0.074 12.648 -5.175 1.00 0.00 O ATOM 182 CB HIS A 96 1.900 11.332 -7.566 1.00 0.00 C ATOM 183 CG HIS A 96 2.714 11.428 -8.848 1.00 0.00 C ATOM 184 ND1 HIS A 96 3.836 10.646 -9.151 1.00 0.00 N ATOM 185 CD2 HIS A 96 2.498 12.296 -9.887 1.00 0.00 C ATOM 186 CE1 HIS A 96 4.251 11.052 -10.362 1.00 0.00 C ATOM 187 NE2 HIS A 96 3.479 12.051 -10.821 1.00 0.00 N ATOM 0 HA HIS A 96 0.151 12.240 -8.376 1.00 0.00 H new ATOM 0 HB2 HIS A 96 2.567 11.479 -6.716 1.00 0.00 H new ATOM 0 HB3 HIS A 96 1.495 10.323 -7.483 1.00 0.00 H new ATOM 0 HD2 HIS A 96 1.710 13.031 -9.959 1.00 0.00 H new ATOM 0 HE1 HIS A 96 5.092 10.632 -10.895 1.00 0.00 H new ATOM 0 HE2 HIS A 96 3.599 12.542 -11.707 1.00 0.00 H new ATOM 195 N PHE A 97 -1.239 11.322 -6.418 1.00 0.00 N ATOM 196 CA PHE A 97 -2.186 10.984 -5.360 1.00 0.00 C ATOM 197 C PHE A 97 -1.901 9.523 -4.982 1.00 0.00 C ATOM 198 O PHE A 97 -1.600 8.705 -5.859 1.00 0.00 O ATOM 199 CB PHE A 97 -3.640 11.218 -5.807 1.00 0.00 C ATOM 200 CG PHE A 97 -4.050 12.642 -6.185 1.00 0.00 C ATOM 201 CD1 PHE A 97 -3.610 13.234 -7.385 1.00 0.00 C ATOM 202 CD2 PHE A 97 -4.939 13.367 -5.367 1.00 0.00 C ATOM 203 CE1 PHE A 97 -4.047 14.514 -7.756 1.00 0.00 C ATOM 204 CE2 PHE A 97 -5.365 14.659 -5.726 1.00 0.00 C ATOM 205 CZ PHE A 97 -4.923 15.232 -6.928 1.00 0.00 C ATOM 0 H PHE A 97 -1.481 10.905 -7.317 1.00 0.00 H new ATOM 0 HA PHE A 97 -2.061 11.627 -4.489 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.834 10.575 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.295 10.883 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -2.928 12.696 -8.027 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.299 12.924 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -3.707 14.949 -8.684 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.031 15.209 -5.077 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.255 16.219 -7.214 1.00 0.00 H new ATOM 215 N HIS A 98 -2.012 9.183 -3.689 1.00 0.00 N ATOM 216 CA HIS A 98 -1.720 7.834 -3.187 1.00 0.00 C ATOM 217 C HIS A 98 -2.991 7.096 -2.744 1.00 0.00 C ATOM 218 O HIS A 98 -3.968 7.731 -2.333 1.00 0.00 O ATOM 219 CB HIS A 98 -0.643 7.895 -2.079 1.00 0.00 C ATOM 220 CG HIS A 98 0.523 8.857 -2.284 1.00 0.00 C ATOM 221 ND1 HIS A 98 0.909 9.442 -3.491 1.00 0.00 N ATOM 222 CD2 HIS A 98 1.295 9.406 -1.298 1.00 0.00 C ATOM 223 CE1 HIS A 98 1.869 10.340 -3.218 1.00 0.00 C ATOM 224 NE2 HIS A 98 2.124 10.337 -1.899 1.00 0.00 N ATOM 0 H HIS A 98 -2.307 9.836 -2.963 1.00 0.00 H new ATOM 0 HA HIS A 98 -1.311 7.244 -4.007 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -1.137 8.159 -1.144 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -0.234 6.893 -1.952 1.00 0.00 H new ATOM 0 HD2 HIS A 98 1.264 9.159 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 98 2.360 10.968 -3.946 1.00 0.00 H new ATOM 0 HE2 HIS A 98 2.811 10.921 -1.422 1.00 0.00 H new ATOM 232 N VAL A 99 -2.985 5.763 -2.784 1.00 0.00 N ATOM 233 CA VAL A 99 -4.090 4.873 -2.431 1.00 0.00 C ATOM 234 C VAL A 99 -3.616 3.797 -1.454 1.00 0.00 C ATOM 235 O VAL A 99 -2.442 3.414 -1.451 1.00 0.00 O ATOM 236 CB VAL A 99 -4.635 4.221 -3.732 1.00 0.00 C ATOM 237 CG1 VAL A 99 -5.735 3.172 -3.509 1.00 0.00 C ATOM 238 CG2 VAL A 99 -5.222 5.268 -4.681 1.00 0.00 C ATOM 0 H VAL A 99 -2.158 5.245 -3.082 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.882 5.443 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.759 3.729 -4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.055 2.771 -4.470 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.347 2.364 -2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.585 3.637 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.594 4.776 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.042 5.788 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.449 5.986 -4.953 1.00 0.00 H new ATOM 248 N PHE A 100 -4.535 3.370 -0.589 1.00 0.00 N ATOM 249 CA PHE A 100 -4.410 2.330 0.421 1.00 0.00 C ATOM 250 C PHE A 100 -5.058 1.075 -0.149 1.00 0.00 C ATOM 251 O PHE A 100 -6.126 1.170 -0.760 1.00 0.00 O ATOM 252 CB PHE A 100 -5.150 2.764 1.703 1.00 0.00 C ATOM 253 CG PHE A 100 -5.566 1.618 2.616 1.00 0.00 C ATOM 254 CD1 PHE A 100 -4.727 1.087 3.614 1.00 0.00 C ATOM 255 CD2 PHE A 100 -6.832 1.036 2.397 1.00 0.00 C ATOM 256 CE1 PHE A 100 -5.163 -0.019 4.375 1.00 0.00 C ATOM 257 CE2 PHE A 100 -7.266 -0.059 3.155 1.00 0.00 C ATOM 258 CZ PHE A 100 -6.430 -0.594 4.144 1.00 0.00 C ATOM 0 H PHE A 100 -5.468 3.783 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 100 -3.365 2.148 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.508 3.443 2.264 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.040 3.327 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.756 1.523 3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.478 1.441 1.632 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.521 -0.428 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.241 -0.489 2.978 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.754 -1.443 4.727 1.00 0.00 H new ATOM 268 N VAL A 101 -4.443 -0.083 0.086 1.00 0.00 N ATOM 269 CA VAL A 101 -4.932 -1.380 -0.354 1.00 0.00 C ATOM 270 C VAL A 101 -4.733 -2.329 0.830 1.00 0.00 C ATOM 271 O VAL A 101 -3.639 -2.365 1.387 1.00 0.00 O ATOM 272 CB VAL A 101 -4.204 -1.870 -1.622 1.00 0.00 C ATOM 273 CG1 VAL A 101 -5.029 -2.999 -2.257 1.00 0.00 C ATOM 274 CG2 VAL A 101 -3.995 -0.777 -2.683 1.00 0.00 C ATOM 0 H VAL A 101 -3.566 -0.142 0.603 1.00 0.00 H new ATOM 0 HA VAL A 101 -5.983 -1.328 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.216 -2.202 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.526 -3.356 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.129 -3.820 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.018 -2.624 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -3.477 -1.200 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.962 -0.386 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.397 0.031 -2.260 1.00 0.00 H new ATOM 284 N GLY A 102 -5.752 -3.081 1.240 1.00 0.00 N ATOM 285 CA GLY A 102 -5.682 -4.017 2.359 1.00 0.00 C ATOM 286 C GLY A 102 -6.380 -5.334 2.044 1.00 0.00 C ATOM 287 O GLY A 102 -6.964 -5.485 0.976 1.00 0.00 O ATOM 0 H GLY A 102 -6.669 -3.056 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.638 -4.210 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -6.140 -3.565 3.239 1.00 0.00 H new ATOM 291 N ASP A 103 -6.355 -6.242 3.020 1.00 0.00 N ATOM 292 CA ASP A 103 -6.903 -7.615 3.048 1.00 0.00 C ATOM 293 C ASP A 103 -6.236 -8.569 2.045 1.00 0.00 C ATOM 294 O ASP A 103 -6.675 -9.701 1.854 1.00 0.00 O ATOM 295 CB ASP A 103 -8.439 -7.681 3.001 1.00 0.00 C ATOM 296 CG ASP A 103 -8.923 -8.999 3.628 1.00 0.00 C ATOM 297 OD1 ASP A 103 -8.547 -9.272 4.793 1.00 0.00 O ATOM 298 OD2 ASP A 103 -9.728 -9.757 3.054 1.00 0.00 O ATOM 0 H ASP A 103 -5.905 -6.018 3.908 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.630 -7.987 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.865 -6.834 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.784 -7.610 1.969 1.00 0.00 H new ATOM 303 N LEU A 104 -5.134 -8.118 1.435 1.00 0.00 N ATOM 304 CA LEU A 104 -4.368 -8.858 0.442 1.00 0.00 C ATOM 305 C LEU A 104 -3.957 -10.223 0.975 1.00 0.00 C ATOM 306 O LEU A 104 -3.662 -10.359 2.170 1.00 0.00 O ATOM 307 CB LEU A 104 -3.060 -8.115 0.094 1.00 0.00 C ATOM 308 CG LEU A 104 -3.171 -6.619 -0.250 1.00 0.00 C ATOM 309 CD1 LEU A 104 -1.778 -5.992 -0.365 1.00 0.00 C ATOM 310 CD2 LEU A 104 -3.923 -6.426 -1.563 1.00 0.00 C ATOM 0 H LEU A 104 -4.743 -7.196 1.630 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.010 -8.958 -0.433 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.378 -8.218 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.598 -8.623 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.721 -6.128 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.874 -4.934 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.251 -6.100 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.216 -6.496 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.992 -5.362 -1.790 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.390 -6.935 -2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.926 -6.843 -1.473 1.00 0.00 H new ATOM 322 N SER A 105 -3.898 -11.222 0.090 1.00 0.00 N ATOM 323 CA SER A 105 -3.458 -12.547 0.493 1.00 0.00 C ATOM 324 C SER A 105 -1.996 -12.354 0.947 1.00 0.00 C ATOM 325 O SER A 105 -1.266 -11.595 0.304 1.00 0.00 O ATOM 326 CB SER A 105 -3.640 -13.534 -0.673 1.00 0.00 C ATOM 327 OG SER A 105 -3.323 -14.857 -0.295 1.00 0.00 O ATOM 0 H SER A 105 -4.147 -11.135 -0.895 1.00 0.00 H new ATOM 0 HA SER A 105 -4.037 -12.982 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 105 -4.671 -13.494 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.006 -13.232 -1.507 1.00 0.00 H new ATOM 0 HG SER A 105 -3.452 -15.456 -1.060 1.00 0.00 H new ATOM 333 N PRO A 106 -1.520 -13.019 2.012 1.00 0.00 N ATOM 334 CA PRO A 106 -0.150 -12.855 2.507 1.00 0.00 C ATOM 335 C PRO A 106 0.952 -13.147 1.474 1.00 0.00 C ATOM 336 O PRO A 106 2.114 -12.783 1.692 1.00 0.00 O ATOM 337 CB PRO A 106 -0.057 -13.743 3.753 1.00 0.00 C ATOM 338 CG PRO A 106 -1.212 -14.734 3.605 1.00 0.00 C ATOM 339 CD PRO A 106 -2.268 -13.941 2.848 1.00 0.00 C ATOM 0 HA PRO A 106 0.037 -11.807 2.741 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.903 -14.257 3.803 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.152 -13.156 4.667 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.908 -15.625 3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.580 -15.069 4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.898 -14.597 2.247 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -2.927 -13.407 3.533 1.00 0.00 H new ATOM 347 N GLU A 107 0.617 -13.808 0.366 1.00 0.00 N ATOM 348 CA GLU A 107 1.543 -14.140 -0.703 1.00 0.00 C ATOM 349 C GLU A 107 1.742 -12.991 -1.706 1.00 0.00 C ATOM 350 O GLU A 107 2.730 -13.012 -2.443 1.00 0.00 O ATOM 351 CB GLU A 107 1.030 -15.391 -1.433 1.00 0.00 C ATOM 352 CG GLU A 107 -0.203 -15.126 -2.319 1.00 0.00 C ATOM 353 CD GLU A 107 -0.719 -16.372 -3.036 1.00 0.00 C ATOM 354 OE1 GLU A 107 -0.222 -17.491 -2.782 1.00 0.00 O ATOM 355 OE2 GLU A 107 -1.702 -16.243 -3.804 1.00 0.00 O ATOM 0 H GLU A 107 -0.333 -14.134 0.188 1.00 0.00 H new ATOM 0 HA GLU A 107 2.517 -14.327 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.832 -15.795 -2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 107 0.780 -16.155 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.002 -14.715 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.049 -14.368 -3.061 1.00 0.00 H new ATOM 362 N ILE A 108 0.833 -12.008 -1.734 1.00 0.00 N ATOM 363 CA ILE A 108 0.855 -10.866 -2.643 1.00 0.00 C ATOM 364 C ILE A 108 2.143 -10.074 -2.481 1.00 0.00 C ATOM 365 O ILE A 108 2.567 -9.786 -1.359 1.00 0.00 O ATOM 366 CB ILE A 108 -0.422 -10.012 -2.433 1.00 0.00 C ATOM 367 CG1 ILE A 108 -1.689 -10.787 -2.853 1.00 0.00 C ATOM 368 CG2 ILE A 108 -0.441 -8.660 -3.168 1.00 0.00 C ATOM 369 CD1 ILE A 108 -1.638 -11.336 -4.282 1.00 0.00 C ATOM 0 H ILE A 108 0.035 -11.990 -1.099 1.00 0.00 H new ATOM 0 HA ILE A 108 0.845 -11.212 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 108 -0.410 -9.801 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.842 -11.616 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -2.553 -10.129 -2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -1.376 -8.143 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.396 -8.050 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.356 -8.828 -4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.564 -11.867 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.518 -10.511 -4.985 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -0.795 -12.021 -4.379 1.00 0.00 H new ATOM 381 N THR A 109 2.749 -9.702 -3.607 1.00 0.00 N ATOM 382 CA THR A 109 3.986 -8.948 -3.646 1.00 0.00 C ATOM 383 C THR A 109 3.786 -7.575 -4.295 1.00 0.00 C ATOM 384 O THR A 109 2.701 -7.225 -4.759 1.00 0.00 O ATOM 385 CB THR A 109 5.063 -9.836 -4.282 1.00 0.00 C ATOM 386 OG1 THR A 109 6.320 -9.427 -3.805 1.00 0.00 O ATOM 387 CG2 THR A 109 5.081 -9.861 -5.813 1.00 0.00 C ATOM 0 H THR A 109 2.381 -9.924 -4.532 1.00 0.00 H new ATOM 0 HA THR A 109 4.334 -8.698 -2.644 1.00 0.00 H new ATOM 0 HB THR A 109 4.819 -10.857 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.019 -9.988 -4.202 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.880 -10.518 -6.157 1.00 0.00 H new ATOM 0 HG22 THR A 109 4.124 -10.229 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 109 5.253 -8.853 -6.191 1.00 0.00 H new ATOM 395 N THR A 110 4.838 -6.761 -4.319 1.00 0.00 N ATOM 396 CA THR A 110 4.787 -5.425 -4.892 1.00 0.00 C ATOM 397 C THR A 110 4.381 -5.464 -6.376 1.00 0.00 C ATOM 398 O THR A 110 3.666 -4.576 -6.843 1.00 0.00 O ATOM 399 CB THR A 110 6.159 -4.769 -4.658 1.00 0.00 C ATOM 400 OG1 THR A 110 6.438 -4.663 -3.272 1.00 0.00 O ATOM 401 CG2 THR A 110 6.229 -3.375 -5.263 1.00 0.00 C ATOM 0 H THR A 110 5.751 -7.013 -3.940 1.00 0.00 H new ATOM 0 HA THR A 110 4.018 -4.824 -4.407 1.00 0.00 H new ATOM 0 HB THR A 110 6.895 -5.410 -5.143 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.315 -4.245 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.214 -2.946 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.058 -3.436 -6.338 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.466 -2.743 -4.809 1.00 0.00 H new ATOM 409 N GLU A 111 4.806 -6.490 -7.117 1.00 0.00 N ATOM 410 CA GLU A 111 4.499 -6.635 -8.542 1.00 0.00 C ATOM 411 C GLU A 111 3.089 -7.194 -8.754 1.00 0.00 C ATOM 412 O GLU A 111 2.535 -7.072 -9.849 1.00 0.00 O ATOM 413 CB GLU A 111 5.618 -7.411 -9.262 1.00 0.00 C ATOM 414 CG GLU A 111 6.963 -6.780 -8.867 1.00 0.00 C ATOM 415 CD GLU A 111 8.084 -6.849 -9.903 1.00 0.00 C ATOM 416 OE1 GLU A 111 8.487 -7.954 -10.328 1.00 0.00 O ATOM 417 OE2 GLU A 111 8.641 -5.765 -10.211 1.00 0.00 O ATOM 0 H GLU A 111 5.376 -7.248 -6.743 1.00 0.00 H new ATOM 0 HA GLU A 111 4.479 -5.651 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.594 -8.464 -8.981 1.00 0.00 H new ATOM 0 HB3 GLU A 111 5.479 -7.366 -10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.789 -5.732 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.312 -7.265 -7.955 1.00 0.00 H new ATOM 424 N ASP A 112 2.500 -7.804 -7.721 1.00 0.00 N ATOM 425 CA ASP A 112 1.136 -8.328 -7.786 1.00 0.00 C ATOM 426 C ASP A 112 0.229 -7.111 -7.740 1.00 0.00 C ATOM 427 O ASP A 112 -0.659 -6.956 -8.571 1.00 0.00 O ATOM 428 CB ASP A 112 0.775 -9.220 -6.601 1.00 0.00 C ATOM 429 CG ASP A 112 1.103 -10.684 -6.821 1.00 0.00 C ATOM 430 OD1 ASP A 112 0.592 -11.263 -7.806 1.00 0.00 O ATOM 431 OD2 ASP A 112 1.830 -11.269 -5.986 1.00 0.00 O ATOM 0 H ASP A 112 2.955 -7.947 -6.820 1.00 0.00 H new ATOM 0 HA ASP A 112 1.032 -8.936 -8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 112 1.305 -8.867 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.291 -9.122 -6.395 1.00 0.00 H new ATOM 436 N ILE A 113 0.474 -6.233 -6.758 1.00 0.00 N ATOM 437 CA ILE A 113 -0.290 -5.011 -6.588 1.00 0.00 C ATOM 438 C ILE A 113 -0.172 -4.205 -7.879 1.00 0.00 C ATOM 439 O ILE A 113 -1.194 -3.787 -8.419 1.00 0.00 O ATOM 440 CB ILE A 113 0.184 -4.216 -5.356 1.00 0.00 C ATOM 441 CG1 ILE A 113 -0.073 -5.010 -4.058 1.00 0.00 C ATOM 442 CG2 ILE A 113 -0.552 -2.869 -5.317 1.00 0.00 C ATOM 443 CD1 ILE A 113 0.206 -4.183 -2.801 1.00 0.00 C ATOM 0 H ILE A 113 1.210 -6.359 -6.064 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.338 -5.243 -6.400 1.00 0.00 H new ATOM 0 HB ILE A 113 1.258 -4.044 -5.431 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -1.108 -5.350 -4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.555 -5.901 -4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.223 -2.299 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -0.331 -2.307 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -1.626 -3.043 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.010 -4.788 -1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 113 1.249 -3.865 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -0.441 -3.306 -2.791 1.00 0.00 H new ATOM 455 N LYS A 114 1.048 -3.979 -8.384 1.00 0.00 N ATOM 456 CA LYS A 114 1.185 -3.226 -9.623 1.00 0.00 C ATOM 457 C LYS A 114 0.355 -3.852 -10.733 1.00 0.00 C ATOM 458 O LYS A 114 -0.386 -3.117 -11.367 1.00 0.00 O ATOM 459 CB LYS A 114 2.645 -3.069 -10.034 1.00 0.00 C ATOM 460 CG LYS A 114 3.236 -1.835 -9.346 1.00 0.00 C ATOM 461 CD LYS A 114 4.719 -1.708 -9.673 1.00 0.00 C ATOM 462 CE LYS A 114 5.522 -2.500 -8.648 1.00 0.00 C ATOM 463 NZ LYS A 114 6.838 -2.919 -9.179 1.00 0.00 N ATOM 0 H LYS A 114 1.923 -4.297 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 114 0.799 -2.223 -9.442 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.210 -3.959 -9.757 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.721 -2.967 -11.117 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.707 -0.940 -9.672 1.00 0.00 H new ATOM 0 HG3 LYS A 114 3.099 -1.911 -8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 114 4.917 -2.083 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 114 5.019 -0.660 -9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 114 5.668 -1.893 -7.754 1.00 0.00 H new ATOM 0 HE3 LYS A 114 4.956 -3.381 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 7.352 -3.455 -8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 6.699 -3.519 -10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 7.389 -2.078 -9.444 1.00 0.00 H new ATOM 477 N ALA A 115 0.421 -5.168 -10.946 1.00 0.00 N ATOM 478 CA ALA A 115 -0.363 -5.821 -11.991 1.00 0.00 C ATOM 479 C ALA A 115 -1.870 -5.595 -11.802 1.00 0.00 C ATOM 480 O ALA A 115 -2.600 -5.478 -12.786 1.00 0.00 O ATOM 481 CB ALA A 115 -0.045 -7.317 -12.017 1.00 0.00 C ATOM 0 H ALA A 115 1.011 -5.801 -10.407 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.088 -5.375 -12.947 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.632 -7.800 -12.798 1.00 0.00 H new ATOM 0 HB2 ALA A 115 1.016 -7.460 -12.220 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -0.292 -7.758 -11.052 1.00 0.00 H new ATOM 487 N ALA A 116 -2.342 -5.517 -10.556 1.00 0.00 N ATOM 488 CA ALA A 116 -3.742 -5.300 -10.231 1.00 0.00 C ATOM 489 C ALA A 116 -4.203 -3.883 -10.574 1.00 0.00 C ATOM 490 O ALA A 116 -5.261 -3.722 -11.177 1.00 0.00 O ATOM 491 CB ALA A 116 -3.960 -5.546 -8.740 1.00 0.00 C ATOM 0 H ALA A 116 -1.746 -5.605 -9.733 1.00 0.00 H new ATOM 0 HA ALA A 116 -4.329 -5.997 -10.829 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.009 -5.384 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -3.685 -6.572 -8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -3.342 -4.858 -8.163 1.00 0.00 H new ATOM 497 N PHE A 117 -3.426 -2.856 -10.206 1.00 0.00 N ATOM 498 CA PHE A 117 -3.779 -1.465 -10.456 1.00 0.00 C ATOM 499 C PHE A 117 -3.216 -0.906 -11.779 1.00 0.00 C ATOM 500 O PHE A 117 -3.482 0.244 -12.130 1.00 0.00 O ATOM 501 CB PHE A 117 -3.394 -0.658 -9.213 1.00 0.00 C ATOM 502 CG PHE A 117 -4.213 -1.020 -7.977 1.00 0.00 C ATOM 503 CD1 PHE A 117 -3.834 -2.086 -7.139 1.00 0.00 C ATOM 504 CD2 PHE A 117 -5.401 -0.322 -7.693 1.00 0.00 C ATOM 505 CE1 PHE A 117 -4.631 -2.472 -6.050 1.00 0.00 C ATOM 506 CE2 PHE A 117 -6.208 -0.704 -6.603 1.00 0.00 C ATOM 507 CZ PHE A 117 -5.827 -1.783 -5.786 1.00 0.00 C ATOM 0 H PHE A 117 -2.534 -2.974 -9.726 1.00 0.00 H new ATOM 0 HA PHE A 117 -4.854 -1.383 -10.614 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -2.337 -0.817 -8.999 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -3.520 0.404 -9.425 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -2.914 -2.616 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -5.696 0.511 -8.314 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -4.327 -3.294 -5.419 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -7.121 -0.167 -6.395 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.452 -2.082 -4.957 1.00 0.00 H new ATOM 517 N ALA A 118 -2.457 -1.703 -12.530 1.00 0.00 N ATOM 518 CA ALA A 118 -1.852 -1.350 -13.813 1.00 0.00 C ATOM 519 C ALA A 118 -2.898 -0.959 -14.862 1.00 0.00 C ATOM 520 O ALA A 118 -2.742 0.100 -15.466 1.00 0.00 O ATOM 521 CB ALA A 118 -0.965 -2.487 -14.341 1.00 0.00 C ATOM 0 H ALA A 118 -2.237 -2.658 -12.247 1.00 0.00 H new ATOM 0 HA ALA A 118 -1.227 -0.475 -13.632 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.529 -2.195 -15.296 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -0.168 -2.689 -13.625 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.567 -3.385 -14.477 1.00 0.00 H new ATOM 527 N PRO A 119 -3.993 -1.730 -15.081 1.00 0.00 N ATOM 528 CA PRO A 119 -4.991 -1.366 -16.084 1.00 0.00 C ATOM 529 C PRO A 119 -5.782 -0.106 -15.736 1.00 0.00 C ATOM 530 O PRO A 119 -6.571 0.355 -16.572 1.00 0.00 O ATOM 531 CB PRO A 119 -5.916 -2.574 -16.219 1.00 0.00 C ATOM 532 CG PRO A 119 -5.781 -3.301 -14.889 1.00 0.00 C ATOM 533 CD PRO A 119 -4.341 -3.012 -14.475 1.00 0.00 C ATOM 0 HA PRO A 119 -4.491 -1.122 -17.021 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.946 -2.268 -16.402 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -5.620 -3.211 -17.052 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -6.494 -2.929 -14.153 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -5.962 -4.371 -14.995 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -4.249 -2.967 -13.390 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -3.671 -3.800 -14.819 1.00 0.00 H new ATOM 541 N PHE A 120 -5.519 0.526 -14.591 1.00 0.00 N ATOM 542 CA PHE A 120 -6.233 1.725 -14.184 1.00 0.00 C ATOM 543 C PHE A 120 -5.426 2.987 -14.510 1.00 0.00 C ATOM 544 O PHE A 120 -5.988 4.083 -14.501 1.00 0.00 O ATOM 545 CB PHE A 120 -6.547 1.594 -12.681 1.00 0.00 C ATOM 546 CG PHE A 120 -7.597 0.536 -12.414 1.00 0.00 C ATOM 547 CD1 PHE A 120 -8.955 0.893 -12.407 1.00 0.00 C ATOM 548 CD2 PHE A 120 -7.234 -0.818 -12.277 1.00 0.00 C ATOM 549 CE1 PHE A 120 -9.946 -0.096 -12.315 1.00 0.00 C ATOM 550 CE2 PHE A 120 -8.227 -1.806 -12.173 1.00 0.00 C ATOM 551 CZ PHE A 120 -9.585 -1.448 -12.198 1.00 0.00 C ATOM 0 H PHE A 120 -4.808 0.219 -13.927 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.167 1.824 -14.738 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -5.634 1.345 -12.140 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -6.893 2.554 -12.297 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -9.238 1.933 -12.473 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -6.191 -1.097 -12.252 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.989 0.183 -12.334 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.946 -2.844 -12.074 1.00 0.00 H new ATOM 0 HZ PHE A 120 -10.348 -2.209 -12.128 1.00 0.00 H new ATOM 561 N GLY A 121 -4.153 2.869 -14.891 1.00 0.00 N ATOM 562 CA GLY A 121 -3.312 4.004 -15.209 1.00 0.00 C ATOM 563 C GLY A 121 -1.887 3.692 -14.789 1.00 0.00 C ATOM 564 O GLY A 121 -1.594 2.618 -14.250 1.00 0.00 O ATOM 0 H GLY A 121 -3.680 1.970 -14.986 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.352 4.216 -16.277 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.670 4.895 -14.694 1.00 0.00 H new ATOM 568 N ARG A 122 -0.970 4.602 -15.097 1.00 0.00 N ATOM 569 CA ARG A 122 0.431 4.431 -14.763 1.00 0.00 C ATOM 570 C ARG A 122 0.627 4.559 -13.263 1.00 0.00 C ATOM 571 O ARG A 122 0.030 5.422 -12.614 1.00 0.00 O ATOM 572 CB ARG A 122 1.292 5.424 -15.550 1.00 0.00 C ATOM 573 CG ARG A 122 1.638 4.846 -16.913 1.00 0.00 C ATOM 574 CD ARG A 122 2.359 5.862 -17.791 1.00 0.00 C ATOM 575 NE ARG A 122 2.663 5.271 -19.099 1.00 0.00 N ATOM 576 CZ ARG A 122 3.863 5.163 -19.671 1.00 0.00 C ATOM 577 NH1 ARG A 122 4.965 5.593 -19.069 1.00 0.00 N ATOM 578 NH2 ARG A 122 3.946 4.590 -20.863 1.00 0.00 N ATOM 0 H ARG A 122 -1.180 5.474 -15.583 1.00 0.00 H new ATOM 0 HA ARG A 122 0.754 3.430 -15.050 1.00 0.00 H new ATOM 0 HB2 ARG A 122 0.757 6.366 -15.670 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.205 5.644 -14.997 1.00 0.00 H new ATOM 0 HG2 ARG A 122 2.267 3.965 -16.785 1.00 0.00 H new ATOM 0 HG3 ARG A 122 0.726 4.517 -17.411 1.00 0.00 H new ATOM 0 HD2 ARG A 122 1.739 6.749 -17.919 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.280 6.185 -17.306 1.00 0.00 H new ATOM 0 HE ARG A 122 1.872 4.903 -19.628 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.908 6.019 -18.144 1.00 0.00 H new ATOM 0 HH12 ARG A 122 5.869 5.497 -19.531 1.00 0.00 H new ATOM 0 HH21 ARG A 122 3.104 4.244 -21.322 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.852 4.495 -21.321 1.00 0.00 H new ATOM 592 N ILE A 123 1.457 3.679 -12.719 1.00 0.00 N ATOM 593 CA ILE A 123 1.790 3.651 -11.309 1.00 0.00 C ATOM 594 C ILE A 123 3.154 4.310 -11.160 1.00 0.00 C ATOM 595 O ILE A 123 4.053 4.082 -11.966 1.00 0.00 O ATOM 596 CB ILE A 123 1.770 2.211 -10.763 1.00 0.00 C ATOM 597 CG1 ILE A 123 0.411 1.540 -11.088 1.00 0.00 C ATOM 598 CG2 ILE A 123 2.025 2.247 -9.254 1.00 0.00 C ATOM 599 CD1 ILE A 123 0.256 0.088 -10.639 1.00 0.00 C ATOM 0 H ILE A 123 1.925 2.952 -13.260 1.00 0.00 H new ATOM 0 HA ILE A 123 1.052 4.196 -10.721 1.00 0.00 H new ATOM 0 HB ILE A 123 2.554 1.620 -11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.382 2.129 -10.626 1.00 0.00 H new ATOM 0 HG13 ILE A 123 0.255 1.585 -12.166 1.00 0.00 H new ATOM 0 HG21 ILE A 123 2.013 1.231 -8.859 1.00 0.00 H new ATOM 0 HG22 ILE A 123 2.997 2.700 -9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.247 2.835 -8.767 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.732 -0.276 -10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 123 1.018 -0.525 -11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 123 0.372 0.027 -9.557 1.00 0.00 H new ATOM 611 N SER A 124 3.304 5.130 -10.129 1.00 0.00 N ATOM 612 CA SER A 124 4.529 5.827 -9.816 1.00 0.00 C ATOM 613 C SER A 124 5.182 5.022 -8.689 1.00 0.00 C ATOM 614 O SER A 124 6.242 4.419 -8.871 1.00 0.00 O ATOM 615 CB SER A 124 4.178 7.291 -9.477 1.00 0.00 C ATOM 616 OG SER A 124 5.316 8.102 -9.243 1.00 0.00 O ATOM 0 H SER A 124 2.550 5.330 -9.472 1.00 0.00 H new ATOM 0 HA SER A 124 5.247 5.893 -10.633 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.599 7.717 -10.296 1.00 0.00 H new ATOM 0 HB3 SER A 124 3.540 7.309 -8.593 1.00 0.00 H new ATOM 0 HG SER A 124 5.030 9.019 -9.050 1.00 0.00 H new ATOM 622 N ASP A 125 4.618 5.109 -7.487 1.00 0.00 N ATOM 623 CA ASP A 125 5.066 4.426 -6.274 1.00 0.00 C ATOM 624 C ASP A 125 4.174 3.223 -5.986 1.00 0.00 C ATOM 625 O ASP A 125 2.971 3.305 -6.234 1.00 0.00 O ATOM 626 CB ASP A 125 5.073 5.406 -5.094 1.00 0.00 C ATOM 627 CG ASP A 125 5.967 4.949 -3.950 1.00 0.00 C ATOM 628 OD1 ASP A 125 5.717 3.880 -3.352 1.00 0.00 O ATOM 629 OD2 ASP A 125 6.900 5.693 -3.577 1.00 0.00 O ATOM 0 H ASP A 125 3.794 5.687 -7.323 1.00 0.00 H new ATOM 0 HA ASP A 125 6.083 4.062 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.408 6.383 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 125 4.055 5.530 -4.725 1.00 0.00 H new ATOM 634 N ALA A 126 4.724 2.111 -5.500 1.00 0.00 N ATOM 635 CA ALA A 126 3.955 0.921 -5.160 1.00 0.00 C ATOM 636 C ALA A 126 4.803 0.001 -4.299 1.00 0.00 C ATOM 637 O ALA A 126 5.940 -0.300 -4.682 1.00 0.00 O ATOM 638 CB ALA A 126 3.529 0.156 -6.413 1.00 0.00 C ATOM 0 H ALA A 126 5.725 2.013 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 126 3.062 1.241 -4.623 1.00 0.00 H new ATOM 0 HB1 ALA A 126 2.957 -0.726 -6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 126 2.911 0.799 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 126 4.414 -0.152 -6.970 1.00 0.00 H new ATOM 644 N ARG A 127 4.276 -0.447 -3.154 1.00 0.00 N ATOM 645 CA ARG A 127 4.987 -1.362 -2.265 1.00 0.00 C ATOM 646 C ARG A 127 4.039 -2.043 -1.291 1.00 0.00 C ATOM 647 O ARG A 127 3.007 -1.475 -0.922 1.00 0.00 O ATOM 648 CB ARG A 127 6.090 -0.628 -1.469 1.00 0.00 C ATOM 649 CG ARG A 127 5.589 0.323 -0.359 1.00 0.00 C ATOM 650 CD ARG A 127 6.742 0.883 0.484 1.00 0.00 C ATOM 651 NE ARG A 127 7.594 1.801 -0.278 1.00 0.00 N ATOM 652 CZ ARG A 127 8.870 2.126 -0.059 1.00 0.00 C ATOM 653 NH1 ARG A 127 9.559 1.591 0.950 1.00 0.00 N ATOM 654 NH2 ARG A 127 9.422 3.020 -0.866 1.00 0.00 N ATOM 0 H ARG A 127 3.348 -0.185 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 127 5.447 -2.120 -2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.744 -1.373 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 127 6.697 -0.054 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 127 5.037 1.147 -0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 127 4.893 -0.211 0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 127 6.336 1.403 1.351 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.347 0.059 0.862 1.00 0.00 H new ATOM 0 HE ARG A 127 7.154 2.250 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.112 0.919 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.533 1.854 1.098 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.874 3.433 -1.621 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.395 3.296 -0.732 1.00 0.00 H new ATOM 668 N VAL A 128 4.397 -3.255 -0.879 1.00 0.00 N ATOM 669 CA VAL A 128 3.641 -4.005 0.113 1.00 0.00 C ATOM 670 C VAL A 128 4.330 -3.599 1.420 1.00 0.00 C ATOM 671 O VAL A 128 5.560 -3.436 1.464 1.00 0.00 O ATOM 672 CB VAL A 128 3.692 -5.525 -0.136 1.00 0.00 C ATOM 673 CG1 VAL A 128 2.906 -6.298 0.932 1.00 0.00 C ATOM 674 CG2 VAL A 128 3.087 -5.905 -1.486 1.00 0.00 C ATOM 0 H VAL A 128 5.222 -3.744 -1.226 1.00 0.00 H new ATOM 0 HA VAL A 128 2.573 -3.786 0.103 1.00 0.00 H new ATOM 0 HB VAL A 128 4.749 -5.788 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.964 -7.366 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.332 -6.096 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 128 1.863 -5.982 0.916 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.144 -6.985 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.044 -5.590 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.640 -5.411 -2.285 1.00 0.00 H new ATOM 684 N VAL A 129 3.549 -3.325 2.459 1.00 0.00 N ATOM 685 CA VAL A 129 4.096 -2.940 3.749 1.00 0.00 C ATOM 686 C VAL A 129 4.628 -4.221 4.400 1.00 0.00 C ATOM 687 O VAL A 129 4.074 -5.305 4.200 1.00 0.00 O ATOM 688 CB VAL A 129 2.990 -2.254 4.579 1.00 0.00 C ATOM 689 CG1 VAL A 129 3.510 -1.702 5.920 1.00 0.00 C ATOM 690 CG2 VAL A 129 2.415 -1.047 3.816 1.00 0.00 C ATOM 0 H VAL A 129 2.530 -3.364 2.430 1.00 0.00 H new ATOM 0 HA VAL A 129 4.912 -2.222 3.667 1.00 0.00 H new ATOM 0 HB VAL A 129 2.239 -3.024 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.690 -1.231 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.917 -2.519 6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 129 4.291 -0.966 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.637 -0.575 4.415 1.00 0.00 H new ATOM 0 HG22 VAL A 129 3.210 -0.327 3.622 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.991 -1.383 2.870 1.00 0.00 H new ATOM 700 N LYS A 130 5.704 -4.128 5.179 1.00 0.00 N ATOM 701 CA LYS A 130 6.298 -5.266 5.874 1.00 0.00 C ATOM 702 C LYS A 130 6.704 -4.803 7.256 1.00 0.00 C ATOM 703 O LYS A 130 7.083 -3.641 7.434 1.00 0.00 O ATOM 704 CB LYS A 130 7.502 -5.811 5.104 1.00 0.00 C ATOM 705 CG LYS A 130 7.075 -6.609 3.866 1.00 0.00 C ATOM 706 CD LYS A 130 8.312 -6.947 3.047 1.00 0.00 C ATOM 707 CE LYS A 130 8.004 -7.674 1.734 1.00 0.00 C ATOM 708 NZ LYS A 130 9.230 -8.231 1.126 1.00 0.00 N ATOM 0 H LYS A 130 6.193 -3.249 5.347 1.00 0.00 H new ATOM 0 HA LYS A 130 5.575 -6.079 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 130 8.143 -4.984 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 130 8.095 -6.448 5.760 1.00 0.00 H new ATOM 0 HG2 LYS A 130 6.560 -7.522 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 130 6.373 -6.029 3.267 1.00 0.00 H new ATOM 0 HD2 LYS A 130 8.851 -6.026 2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 130 8.976 -7.568 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 130 7.291 -8.477 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 130 7.531 -6.983 1.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 8.988 -8.717 0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 9.900 -7.461 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 9.667 -8.908 1.783 1.00 0.00 H new ATOM 722 N ASP A 131 6.600 -5.687 8.240 1.00 0.00 N ATOM 723 CA ASP A 131 6.963 -5.329 9.610 1.00 0.00 C ATOM 724 C ASP A 131 8.465 -5.096 9.685 1.00 0.00 C ATOM 725 O ASP A 131 9.242 -5.914 9.194 1.00 0.00 O ATOM 726 CB ASP A 131 6.598 -6.428 10.611 1.00 0.00 C ATOM 727 CG ASP A 131 6.675 -5.959 12.071 1.00 0.00 C ATOM 728 OD1 ASP A 131 7.341 -4.948 12.374 1.00 0.00 O ATOM 729 OD2 ASP A 131 6.016 -6.582 12.933 1.00 0.00 O ATOM 0 H ASP A 131 6.272 -6.645 8.121 1.00 0.00 H new ATOM 0 HA ASP A 131 6.407 -4.428 9.870 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.589 -6.782 10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 131 7.268 -7.276 10.472 1.00 0.00 H new ATOM 734 N MET A 132 8.882 -3.970 10.253 1.00 0.00 N ATOM 735 CA MET A 132 10.289 -3.629 10.424 1.00 0.00 C ATOM 736 C MET A 132 10.987 -4.593 11.395 1.00 0.00 C ATOM 737 O MET A 132 12.208 -4.686 11.384 1.00 0.00 O ATOM 738 CB MET A 132 10.387 -2.177 10.928 1.00 0.00 C ATOM 739 CG MET A 132 9.658 -1.944 12.265 1.00 0.00 C ATOM 740 SD MET A 132 9.693 -0.239 12.879 1.00 0.00 S ATOM 741 CE MET A 132 8.545 0.579 11.741 1.00 0.00 C ATOM 0 H MET A 132 8.244 -3.260 10.612 1.00 0.00 H new ATOM 0 HA MET A 132 10.798 -3.722 9.465 1.00 0.00 H new ATOM 0 HB2 MET A 132 11.438 -1.910 11.044 1.00 0.00 H new ATOM 0 HB3 MET A 132 9.970 -1.509 10.174 1.00 0.00 H new ATOM 0 HG2 MET A 132 8.618 -2.251 12.151 1.00 0.00 H new ATOM 0 HG3 MET A 132 10.101 -2.594 13.020 1.00 0.00 H new ATOM 0 HE1 MET A 132 8.426 1.623 12.032 1.00 0.00 H new ATOM 0 HE2 MET A 132 8.940 0.528 10.726 1.00 0.00 H new ATOM 0 HE3 MET A 132 7.577 0.079 11.779 1.00 0.00 H new ATOM 751 N ALA A 133 10.229 -5.319 12.222 1.00 0.00 N ATOM 752 CA ALA A 133 10.762 -6.245 13.210 1.00 0.00 C ATOM 753 C ALA A 133 10.786 -7.703 12.763 1.00 0.00 C ATOM 754 O ALA A 133 11.438 -8.506 13.428 1.00 0.00 O ATOM 755 CB ALA A 133 9.921 -6.124 14.481 1.00 0.00 C ATOM 0 H ALA A 133 9.210 -5.275 12.219 1.00 0.00 H new ATOM 0 HA ALA A 133 11.803 -5.967 13.373 1.00 0.00 H new ATOM 0 HB1 ALA A 133 10.303 -6.810 15.237 1.00 0.00 H new ATOM 0 HB2 ALA A 133 9.976 -5.103 14.858 1.00 0.00 H new ATOM 0 HB3 ALA A 133 8.884 -6.373 14.256 1.00 0.00 H new ATOM 761 N THR A 134 10.117 -8.062 11.665 1.00 0.00 N ATOM 762 CA THR A 134 10.093 -9.455 11.214 1.00 0.00 C ATOM 763 C THR A 134 10.339 -9.608 9.720 1.00 0.00 C ATOM 764 O THR A 134 10.696 -10.697 9.263 1.00 0.00 O ATOM 765 CB THR A 134 8.737 -10.095 11.581 1.00 0.00 C ATOM 766 OG1 THR A 134 7.704 -9.593 10.765 1.00 0.00 O ATOM 767 CG2 THR A 134 8.299 -9.851 13.021 1.00 0.00 C ATOM 0 H THR A 134 9.590 -7.416 11.078 1.00 0.00 H new ATOM 0 HA THR A 134 10.911 -9.964 11.723 1.00 0.00 H new ATOM 0 HB THR A 134 8.900 -11.163 11.435 1.00 0.00 H new ATOM 0 HG1 THR A 134 6.855 -10.014 11.015 1.00 0.00 H new ATOM 0 HG21 THR A 134 7.338 -10.334 13.196 1.00 0.00 H new ATOM 0 HG22 THR A 134 9.042 -10.265 13.702 1.00 0.00 H new ATOM 0 HG23 THR A 134 8.204 -8.779 13.196 1.00 0.00 H new ATOM 775 N GLY A 135 10.160 -8.532 8.952 1.00 0.00 N ATOM 776 CA GLY A 135 10.326 -8.574 7.507 1.00 0.00 C ATOM 777 C GLY A 135 9.233 -9.442 6.869 1.00 0.00 C ATOM 778 O GLY A 135 9.448 -9.993 5.784 1.00 0.00 O ATOM 0 H GLY A 135 9.898 -7.616 9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 135 10.281 -7.564 7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 135 11.309 -8.975 7.259 1.00 0.00 H new ATOM 782 N LYS A 136 8.091 -9.637 7.547 1.00 0.00 N ATOM 783 CA LYS A 136 6.971 -10.430 7.040 1.00 0.00 C ATOM 784 C LYS A 136 5.961 -9.460 6.446 1.00 0.00 C ATOM 785 O LYS A 136 5.886 -8.305 6.880 1.00 0.00 O ATOM 786 CB LYS A 136 6.322 -11.249 8.173 1.00 0.00 C ATOM 787 CG LYS A 136 7.281 -12.218 8.891 1.00 0.00 C ATOM 788 CD LYS A 136 7.726 -13.385 8.010 1.00 0.00 C ATOM 789 CE LYS A 136 8.761 -14.227 8.759 1.00 0.00 C ATOM 790 NZ LYS A 136 9.300 -15.300 7.895 1.00 0.00 N ATOM 0 H LYS A 136 7.922 -9.242 8.472 1.00 0.00 H new ATOM 0 HA LYS A 136 7.319 -11.137 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.904 -10.561 8.908 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.490 -11.820 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.160 -11.668 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 136 6.792 -12.610 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.867 -14.000 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.152 -13.010 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.575 -13.588 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 136 8.305 -14.665 9.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.999 -15.856 8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.524 -15.922 7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.756 -14.878 7.061 1.00 0.00 H new ATOM 804 N SER A 137 5.165 -9.925 5.485 1.00 0.00 N ATOM 805 CA SER A 137 4.162 -9.094 4.845 1.00 0.00 C ATOM 806 C SER A 137 3.156 -8.575 5.869 1.00 0.00 C ATOM 807 O SER A 137 2.623 -9.344 6.677 1.00 0.00 O ATOM 808 CB SER A 137 3.437 -9.898 3.764 1.00 0.00 C ATOM 809 OG SER A 137 2.757 -8.995 2.920 1.00 0.00 O ATOM 0 H SER A 137 5.201 -10.882 5.134 1.00 0.00 H new ATOM 0 HA SER A 137 4.660 -8.239 4.388 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.149 -10.491 3.190 1.00 0.00 H new ATOM 0 HB3 SER A 137 2.734 -10.596 4.218 1.00 0.00 H new ATOM 0 HG SER A 137 2.287 -9.493 2.219 1.00 0.00 H new ATOM 815 N LYS A 138 2.905 -7.263 5.852 1.00 0.00 N ATOM 816 CA LYS A 138 1.924 -6.650 6.762 1.00 0.00 C ATOM 817 C LYS A 138 0.493 -6.917 6.319 1.00 0.00 C ATOM 818 O LYS A 138 -0.407 -6.809 7.149 1.00 0.00 O ATOM 819 CB LYS A 138 2.133 -5.143 6.893 1.00 0.00 C ATOM 820 CG LYS A 138 3.235 -4.831 7.912 1.00 0.00 C ATOM 821 CD LYS A 138 2.723 -3.966 9.072 1.00 0.00 C ATOM 822 CE LYS A 138 3.348 -4.394 10.393 1.00 0.00 C ATOM 823 NZ LYS A 138 2.917 -5.752 10.792 1.00 0.00 N ATOM 0 H LYS A 138 3.363 -6.604 5.222 1.00 0.00 H new ATOM 0 HA LYS A 138 2.086 -7.116 7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 138 2.399 -4.723 5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 138 1.202 -4.668 7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 138 3.637 -5.764 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 138 4.055 -4.316 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.955 -2.919 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.638 -4.045 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 138 4.434 -4.369 10.306 1.00 0.00 H new ATOM 0 HE3 LYS A 138 3.074 -3.682 11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 3.039 -5.867 11.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 1.915 -5.885 10.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 3.493 -6.460 10.293 1.00 0.00 H new ATOM 837 N GLY A 139 0.286 -7.253 5.049 1.00 0.00 N ATOM 838 CA GLY A 139 -1.019 -7.559 4.481 1.00 0.00 C ATOM 839 C GLY A 139 -1.583 -6.392 3.693 1.00 0.00 C ATOM 840 O GLY A 139 -2.409 -6.619 2.814 1.00 0.00 O ATOM 0 H GLY A 139 1.044 -7.321 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.936 -8.430 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.710 -7.824 5.281 1.00 0.00 H new ATOM 844 N TYR A 140 -1.253 -5.154 4.064 1.00 0.00 N ATOM 845 CA TYR A 140 -1.696 -3.973 3.344 1.00 0.00 C ATOM 846 C TYR A 140 -0.535 -3.472 2.481 1.00 0.00 C ATOM 847 O TYR A 140 0.628 -3.848 2.677 1.00 0.00 O ATOM 848 CB TYR A 140 -2.353 -2.938 4.268 1.00 0.00 C ATOM 849 CG TYR A 140 -1.530 -2.430 5.430 1.00 0.00 C ATOM 850 CD1 TYR A 140 -1.475 -3.168 6.627 1.00 0.00 C ATOM 851 CD2 TYR A 140 -0.882 -1.185 5.338 1.00 0.00 C ATOM 852 CE1 TYR A 140 -0.751 -2.679 7.725 1.00 0.00 C ATOM 853 CE2 TYR A 140 -0.160 -0.686 6.434 1.00 0.00 C ATOM 854 CZ TYR A 140 -0.079 -1.443 7.625 1.00 0.00 C ATOM 855 OH TYR A 140 0.659 -0.986 8.667 1.00 0.00 O ATOM 0 H TYR A 140 -0.669 -4.948 4.875 1.00 0.00 H new ATOM 0 HA TYR A 140 -2.510 -4.214 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -2.646 -2.081 3.661 1.00 0.00 H new ATOM 0 HB3 TYR A 140 -3.269 -3.374 4.667 1.00 0.00 H new ATOM 0 HD1 TYR A 140 -1.992 -4.114 6.701 1.00 0.00 H new ATOM 0 HD2 TYR A 140 -0.940 -0.613 4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 140 -0.709 -3.247 8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 140 0.332 0.273 6.367 1.00 0.00 H new ATOM 0 HH TYR A 140 1.056 -0.121 8.432 1.00 0.00 H new ATOM 865 N GLY A 141 -0.845 -2.617 1.518 1.00 0.00 N ATOM 866 CA GLY A 141 0.085 -2.014 0.589 1.00 0.00 C ATOM 867 C GLY A 141 -0.391 -0.612 0.249 1.00 0.00 C ATOM 868 O GLY A 141 -1.483 -0.194 0.645 1.00 0.00 O ATOM 0 H GLY A 141 -1.805 -2.312 1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 141 1.083 -1.977 1.027 1.00 0.00 H new ATOM 0 HA3 GLY A 141 0.156 -2.617 -0.316 1.00 0.00 H new ATOM 872 N PHE A 142 0.455 0.125 -0.459 1.00 0.00 N ATOM 873 CA PHE A 142 0.172 1.479 -0.892 1.00 0.00 C ATOM 874 C PHE A 142 0.616 1.593 -2.340 1.00 0.00 C ATOM 875 O PHE A 142 1.612 0.978 -2.735 1.00 0.00 O ATOM 876 CB PHE A 142 0.894 2.508 -0.012 1.00 0.00 C ATOM 877 CG PHE A 142 0.384 2.607 1.415 1.00 0.00 C ATOM 878 CD1 PHE A 142 -0.833 3.263 1.687 1.00 0.00 C ATOM 879 CD2 PHE A 142 1.143 2.085 2.480 1.00 0.00 C ATOM 880 CE1 PHE A 142 -1.288 3.395 3.011 1.00 0.00 C ATOM 881 CE2 PHE A 142 0.688 2.222 3.804 1.00 0.00 C ATOM 882 CZ PHE A 142 -0.529 2.872 4.071 1.00 0.00 C ATOM 0 H PHE A 142 1.372 -0.211 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 142 -0.894 1.689 -0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 142 1.955 2.260 0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 142 0.808 3.488 -0.481 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -1.419 3.666 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 142 2.076 1.579 2.280 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -2.222 3.899 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 142 1.276 1.826 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 142 -0.880 2.969 5.088 1.00 0.00 H new ATOM 892 N VAL A 143 -0.110 2.403 -3.102 1.00 0.00 N ATOM 893 CA VAL A 143 0.115 2.674 -4.514 1.00 0.00 C ATOM 894 C VAL A 143 0.023 4.197 -4.692 1.00 0.00 C ATOM 895 O VAL A 143 -0.559 4.888 -3.853 1.00 0.00 O ATOM 896 CB VAL A 143 -0.931 1.876 -5.339 1.00 0.00 C ATOM 897 CG1 VAL A 143 -0.764 2.047 -6.846 1.00 0.00 C ATOM 898 CG2 VAL A 143 -0.861 0.361 -5.082 1.00 0.00 C ATOM 0 H VAL A 143 -0.912 2.913 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 143 1.094 2.353 -4.870 1.00 0.00 H new ATOM 0 HB VAL A 143 -1.883 2.289 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 143 -1.525 1.464 -7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 143 -0.873 3.100 -7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 143 0.225 1.699 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 143 -1.615 -0.146 -5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 143 0.128 -0.008 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 143 -1.047 0.162 -4.027 1.00 0.00 H new ATOM 908 N SER A 144 0.597 4.747 -5.757 1.00 0.00 N ATOM 909 CA SER A 144 0.598 6.160 -6.100 1.00 0.00 C ATOM 910 C SER A 144 0.484 6.197 -7.616 1.00 0.00 C ATOM 911 O SER A 144 1.177 5.435 -8.299 1.00 0.00 O ATOM 912 CB SER A 144 1.878 6.823 -5.591 1.00 0.00 C ATOM 913 OG SER A 144 1.898 8.215 -5.809 1.00 0.00 O ATOM 0 H SER A 144 1.102 4.184 -6.441 1.00 0.00 H new ATOM 0 HA SER A 144 -0.221 6.713 -5.640 1.00 0.00 H new ATOM 0 HB2 SER A 144 1.984 6.626 -4.524 1.00 0.00 H new ATOM 0 HB3 SER A 144 2.737 6.370 -6.086 1.00 0.00 H new ATOM 0 HG SER A 144 1.320 8.657 -5.152 1.00 0.00 H new ATOM 919 N PHE A 145 -0.369 7.066 -8.143 1.00 0.00 N ATOM 920 CA PHE A 145 -0.609 7.188 -9.574 1.00 0.00 C ATOM 921 C PHE A 145 -0.328 8.598 -10.057 1.00 0.00 C ATOM 922 O PHE A 145 -0.265 9.531 -9.257 1.00 0.00 O ATOM 923 CB PHE A 145 -2.070 6.815 -9.840 1.00 0.00 C ATOM 924 CG PHE A 145 -2.456 5.454 -9.307 1.00 0.00 C ATOM 925 CD1 PHE A 145 -2.206 4.304 -10.076 1.00 0.00 C ATOM 926 CD2 PHE A 145 -3.090 5.341 -8.056 1.00 0.00 C ATOM 927 CE1 PHE A 145 -2.693 3.053 -9.650 1.00 0.00 C ATOM 928 CE2 PHE A 145 -3.527 4.086 -7.610 1.00 0.00 C ATOM 929 CZ PHE A 145 -3.355 2.954 -8.415 1.00 0.00 C ATOM 0 H PHE A 145 -0.921 7.714 -7.581 1.00 0.00 H new ATOM 0 HA PHE A 145 0.060 6.521 -10.117 1.00 0.00 H new ATOM 0 HB2 PHE A 145 -2.716 7.569 -9.389 1.00 0.00 H new ATOM 0 HB3 PHE A 145 -2.252 6.840 -10.914 1.00 0.00 H new ATOM 0 HD1 PHE A 145 -1.641 4.380 -10.993 1.00 0.00 H new ATOM 0 HD2 PHE A 145 -3.239 6.217 -7.442 1.00 0.00 H new ATOM 0 HE1 PHE A 145 -2.559 2.177 -10.268 1.00 0.00 H new ATOM 0 HE2 PHE A 145 -3.998 3.992 -6.643 1.00 0.00 H new ATOM 0 HZ PHE A 145 -3.734 1.998 -8.084 1.00 0.00 H new ATOM 939 N PHE A 146 -0.237 8.765 -11.374 1.00 0.00 N ATOM 940 CA PHE A 146 0.025 10.082 -11.963 1.00 0.00 C ATOM 941 C PHE A 146 -1.214 10.985 -12.046 1.00 0.00 C ATOM 942 O PHE A 146 -1.037 12.201 -12.044 1.00 0.00 O ATOM 943 CB PHE A 146 0.649 9.954 -13.358 1.00 0.00 C ATOM 944 CG PHE A 146 2.003 9.272 -13.375 1.00 0.00 C ATOM 945 CD1 PHE A 146 2.060 7.874 -13.348 1.00 0.00 C ATOM 946 CD2 PHE A 146 3.201 10.006 -13.462 1.00 0.00 C ATOM 947 CE1 PHE A 146 3.288 7.204 -13.378 1.00 0.00 C ATOM 948 CE2 PHE A 146 4.440 9.335 -13.522 1.00 0.00 C ATOM 949 CZ PHE A 146 4.481 7.929 -13.490 1.00 0.00 C ATOM 0 H PHE A 146 -0.340 8.011 -12.053 1.00 0.00 H new ATOM 0 HA PHE A 146 0.728 10.560 -11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -0.034 9.396 -13.999 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.751 10.949 -13.790 1.00 0.00 H new ATOM 0 HD1 PHE A 146 1.144 7.304 -13.303 1.00 0.00 H new ATOM 0 HD2 PHE A 146 3.171 11.085 -13.483 1.00 0.00 H new ATOM 0 HE1 PHE A 146 3.316 6.126 -13.315 1.00 0.00 H new ATOM 0 HE2 PHE A 146 5.357 9.900 -13.593 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.427 7.412 -13.551 1.00 0.00 H new ATOM 959 N ASN A 147 -2.446 10.457 -12.120 1.00 0.00 N ATOM 960 CA ASN A 147 -3.658 11.288 -12.215 1.00 0.00 C ATOM 961 C ASN A 147 -4.630 10.949 -11.100 1.00 0.00 C ATOM 962 O ASN A 147 -4.696 9.795 -10.668 1.00 0.00 O ATOM 963 CB ASN A 147 -4.387 11.087 -13.553 1.00 0.00 C ATOM 964 CG ASN A 147 -3.510 11.332 -14.763 1.00 0.00 C ATOM 965 OD1 ASN A 147 -3.358 12.465 -15.212 1.00 0.00 O ATOM 966 ND2 ASN A 147 -2.934 10.287 -15.321 1.00 0.00 N ATOM 0 H ASN A 147 -2.630 9.454 -12.116 1.00 0.00 H new ATOM 0 HA ASN A 147 -3.329 12.324 -12.135 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -4.776 10.070 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -5.245 11.758 -13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -2.346 10.409 -16.145 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -3.076 9.356 -14.929 1.00 0.00 H new ATOM 973 N LYS A 148 -5.433 11.928 -10.674 1.00 0.00 N ATOM 974 CA LYS A 148 -6.421 11.737 -9.617 1.00 0.00 C ATOM 975 C LYS A 148 -7.455 10.699 -10.045 1.00 0.00 C ATOM 976 O LYS A 148 -7.746 9.756 -9.316 1.00 0.00 O ATOM 977 CB LYS A 148 -7.095 13.078 -9.271 1.00 0.00 C ATOM 978 CG LYS A 148 -8.054 12.845 -8.101 1.00 0.00 C ATOM 979 CD LYS A 148 -8.693 14.104 -7.507 1.00 0.00 C ATOM 980 CE LYS A 148 -9.533 13.641 -6.307 1.00 0.00 C ATOM 981 NZ LYS A 148 -10.451 14.678 -5.806 1.00 0.00 N ATOM 0 H LYS A 148 -5.414 12.874 -11.054 1.00 0.00 H new ATOM 0 HA LYS A 148 -5.919 11.368 -8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -6.345 13.823 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -7.636 13.465 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -8.849 12.178 -8.434 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -7.513 12.326 -7.310 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -7.929 14.816 -7.194 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -9.316 14.608 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -10.110 12.762 -6.593 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -8.866 13.336 -5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -10.988 14.305 -4.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -9.904 15.509 -5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -11.110 14.953 -6.562 1.00 0.00 H new ATOM 995 N TRP A 149 -7.982 10.864 -11.253 1.00 0.00 N ATOM 996 CA TRP A 149 -8.989 9.996 -11.851 1.00 0.00 C ATOM 997 C TRP A 149 -8.517 8.552 -11.979 1.00 0.00 C ATOM 998 O TRP A 149 -9.350 7.649 -12.002 1.00 0.00 O ATOM 999 CB TRP A 149 -9.384 10.502 -13.242 1.00 0.00 C ATOM 1000 CG TRP A 149 -8.899 11.858 -13.636 1.00 0.00 C ATOM 1001 CD1 TRP A 149 -8.025 12.095 -14.634 1.00 0.00 C ATOM 1002 CD2 TRP A 149 -9.243 13.162 -13.085 1.00 0.00 C ATOM 1003 NE1 TRP A 149 -7.835 13.449 -14.774 1.00 0.00 N ATOM 1004 CE2 TRP A 149 -8.609 14.155 -13.885 1.00 0.00 C ATOM 1005 CE3 TRP A 149 -10.035 13.608 -12.007 1.00 0.00 C ATOM 1006 CZ2 TRP A 149 -8.831 15.522 -13.698 1.00 0.00 C ATOM 1007 CZ3 TRP A 149 -10.217 14.984 -11.771 1.00 0.00 C ATOM 1008 CH2 TRP A 149 -9.643 15.935 -12.633 1.00 0.00 C ATOM 0 H TRP A 149 -7.710 11.634 -11.865 1.00 0.00 H new ATOM 0 HA TRP A 149 -9.847 10.021 -11.179 1.00 0.00 H new ATOM 0 HB2 TRP A 149 -9.020 9.786 -13.978 1.00 0.00 H new ATOM 0 HB3 TRP A 149 -10.472 10.500 -13.306 1.00 0.00 H new ATOM 0 HD1 TRP A 149 -7.546 11.335 -15.234 1.00 0.00 H new ATOM 0 HE1 TRP A 149 -7.201 13.875 -15.450 1.00 0.00 H new ATOM 0 HE3 TRP A 149 -10.507 12.887 -11.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 149 -8.385 16.247 -14.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 149 -10.801 15.311 -10.923 1.00 0.00 H new ATOM 0 HH2 TRP A 149 -9.828 16.987 -12.474 1.00 0.00 H new ATOM 1019 N ASP A 150 -7.209 8.337 -12.142 1.00 0.00 N ATOM 1020 CA ASP A 150 -6.656 6.988 -12.257 1.00 0.00 C ATOM 1021 C ASP A 150 -6.972 6.283 -10.944 1.00 0.00 C ATOM 1022 O ASP A 150 -7.588 5.214 -10.948 1.00 0.00 O ATOM 1023 CB ASP A 150 -5.125 6.956 -12.479 1.00 0.00 C ATOM 1024 CG ASP A 150 -4.642 7.371 -13.868 1.00 0.00 C ATOM 1025 OD1 ASP A 150 -5.400 7.262 -14.858 1.00 0.00 O ATOM 1026 OD2 ASP A 150 -3.492 7.846 -13.996 1.00 0.00 O ATOM 0 H ASP A 150 -6.514 9.081 -12.197 1.00 0.00 H new ATOM 0 HA ASP A 150 -7.098 6.507 -13.130 1.00 0.00 H new ATOM 0 HB2 ASP A 150 -4.657 7.610 -11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 150 -4.770 5.945 -12.279 1.00 0.00 H new ATOM 1031 N ALA A 151 -6.554 6.915 -9.842 1.00 0.00 N ATOM 1032 CA ALA A 151 -6.705 6.475 -8.468 1.00 0.00 C ATOM 1033 C ALA A 151 -8.172 6.280 -8.092 1.00 0.00 C ATOM 1034 O ALA A 151 -8.553 5.181 -7.700 1.00 0.00 O ATOM 1035 CB ALA A 151 -6.029 7.491 -7.539 1.00 0.00 C ATOM 0 H ALA A 151 -6.068 7.810 -9.901 1.00 0.00 H new ATOM 0 HA ALA A 151 -6.223 5.504 -8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -6.138 7.167 -6.504 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -4.970 7.562 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -6.498 8.467 -7.665 1.00 0.00 H new ATOM 1041 N GLU A 152 -8.987 7.331 -8.220 1.00 0.00 N ATOM 1042 CA GLU A 152 -10.417 7.339 -7.901 1.00 0.00 C ATOM 1043 C GLU A 152 -11.129 6.142 -8.514 1.00 0.00 C ATOM 1044 O GLU A 152 -11.812 5.400 -7.809 1.00 0.00 O ATOM 1045 CB GLU A 152 -11.045 8.632 -8.444 1.00 0.00 C ATOM 1046 CG GLU A 152 -10.798 9.830 -7.534 1.00 0.00 C ATOM 1047 CD GLU A 152 -12.071 10.260 -6.801 1.00 0.00 C ATOM 1048 OE1 GLU A 152 -12.462 9.624 -5.801 1.00 0.00 O ATOM 1049 OE2 GLU A 152 -12.632 11.320 -7.178 1.00 0.00 O ATOM 0 H GLU A 152 -8.656 8.233 -8.562 1.00 0.00 H new ATOM 0 HA GLU A 152 -10.528 7.284 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 152 -10.638 8.842 -9.433 1.00 0.00 H new ATOM 0 HB3 GLU A 152 -12.119 8.487 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 152 -10.026 9.580 -6.806 1.00 0.00 H new ATOM 0 HG3 GLU A 152 -10.420 10.664 -8.126 1.00 0.00 H new ATOM 1056 N ASN A 153 -10.932 5.940 -9.818 1.00 0.00 N ATOM 1057 CA ASN A 153 -11.550 4.846 -10.546 1.00 0.00 C ATOM 1058 C ASN A 153 -11.237 3.506 -9.898 1.00 0.00 C ATOM 1059 O ASN A 153 -12.131 2.681 -9.747 1.00 0.00 O ATOM 1060 CB ASN A 153 -11.058 4.853 -11.986 1.00 0.00 C ATOM 1061 CG ASN A 153 -11.858 3.894 -12.855 1.00 0.00 C ATOM 1062 OD1 ASN A 153 -13.083 3.868 -12.799 1.00 0.00 O ATOM 1063 ND2 ASN A 153 -11.192 3.137 -13.706 1.00 0.00 N ATOM 0 H ASN A 153 -10.337 6.535 -10.394 1.00 0.00 H new ATOM 0 HA ASN A 153 -12.631 4.985 -10.525 1.00 0.00 H new ATOM 0 HB2 ASN A 153 -11.133 5.862 -12.392 1.00 0.00 H new ATOM 0 HB3 ASN A 153 -10.004 4.576 -12.013 1.00 0.00 H new ATOM 0 HD21 ASN A 153 -11.696 2.513 -14.336 1.00 0.00 H new ATOM 0 HD22 ASN A 153 -10.173 3.176 -13.734 1.00 0.00 H new ATOM 1070 N ALA A 154 -9.971 3.275 -9.534 1.00 0.00 N ATOM 1071 CA ALA A 154 -9.592 2.028 -8.893 1.00 0.00 C ATOM 1072 C ALA A 154 -10.187 1.935 -7.493 1.00 0.00 C ATOM 1073 O ALA A 154 -10.631 0.853 -7.138 1.00 0.00 O ATOM 1074 CB ALA A 154 -8.086 1.842 -8.837 1.00 0.00 C ATOM 0 H ALA A 154 -9.204 3.933 -9.674 1.00 0.00 H new ATOM 0 HA ALA A 154 -9.998 1.223 -9.506 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -7.854 0.895 -8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -7.682 1.837 -9.849 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -7.639 2.660 -8.272 1.00 0.00 H new ATOM 1080 N ILE A 155 -10.192 3.001 -6.681 1.00 0.00 N ATOM 1081 CA ILE A 155 -10.784 2.945 -5.342 1.00 0.00 C ATOM 1082 C ILE A 155 -12.214 2.391 -5.475 1.00 0.00 C ATOM 1083 O ILE A 155 -12.591 1.521 -4.692 1.00 0.00 O ATOM 1084 CB ILE A 155 -10.742 4.319 -4.631 1.00 0.00 C ATOM 1085 CG1 ILE A 155 -9.287 4.777 -4.373 1.00 0.00 C ATOM 1086 CG2 ILE A 155 -11.482 4.212 -3.285 1.00 0.00 C ATOM 1087 CD1 ILE A 155 -9.174 6.223 -3.865 1.00 0.00 C ATOM 0 H ILE A 155 -9.794 3.907 -6.928 1.00 0.00 H new ATOM 0 HA ILE A 155 -10.199 2.280 -4.707 1.00 0.00 H new ATOM 0 HB ILE A 155 -11.223 5.054 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 155 -8.829 4.109 -3.644 1.00 0.00 H new ATOM 0 HG13 ILE A 155 -8.716 4.680 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 155 -11.457 5.177 -2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 155 -12.518 3.922 -3.461 1.00 0.00 H new ATOM 0 HG23 ILE A 155 -10.996 3.462 -2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 155 -8.125 6.472 -3.707 1.00 0.00 H new ATOM 0 HD12 ILE A 155 -9.601 6.902 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 155 -9.716 6.322 -2.924 1.00 0.00 H new ATOM 1099 N GLN A 156 -12.971 2.878 -6.464 1.00 0.00 N ATOM 1100 CA GLN A 156 -14.341 2.473 -6.750 1.00 0.00 C ATOM 1101 C GLN A 156 -14.410 1.023 -7.264 1.00 0.00 C ATOM 1102 O GLN A 156 -15.043 0.174 -6.645 1.00 0.00 O ATOM 1103 CB GLN A 156 -14.931 3.407 -7.827 1.00 0.00 C ATOM 1104 CG GLN A 156 -15.001 4.906 -7.466 1.00 0.00 C ATOM 1105 CD GLN A 156 -14.979 5.853 -8.666 1.00 0.00 C ATOM 1106 OE1 GLN A 156 -14.824 7.060 -8.521 1.00 0.00 O ATOM 1107 NE2 GLN A 156 -15.135 5.382 -9.886 1.00 0.00 N ATOM 0 H GLN A 156 -12.629 3.591 -7.108 1.00 0.00 H new ATOM 0 HA GLN A 156 -14.910 2.538 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 156 -14.337 3.301 -8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 156 -15.938 3.064 -8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 156 -15.912 5.086 -6.895 1.00 0.00 H new ATOM 0 HG3 GLN A 156 -14.162 5.148 -6.814 1.00 0.00 H new ATOM 0 HE21 GLN A 156 -15.266 4.381 -10.033 1.00 0.00 H new ATOM 0 HE22 GLN A 156 -15.125 6.018 -10.683 1.00 0.00 H new ATOM 1116 N GLN A 157 -13.771 0.746 -8.402 1.00 0.00 N ATOM 1117 CA GLN A 157 -13.733 -0.537 -9.096 1.00 0.00 C ATOM 1118 C GLN A 157 -13.079 -1.668 -8.301 1.00 0.00 C ATOM 1119 O GLN A 157 -13.700 -2.704 -8.065 1.00 0.00 O ATOM 1120 CB GLN A 157 -12.991 -0.339 -10.433 1.00 0.00 C ATOM 1121 CG GLN A 157 -13.734 0.562 -11.439 1.00 0.00 C ATOM 1122 CD GLN A 157 -14.678 -0.234 -12.332 1.00 0.00 C ATOM 1123 OE1 GLN A 157 -15.344 -1.159 -11.883 1.00 0.00 O ATOM 1124 NE2 GLN A 157 -14.763 0.101 -13.611 1.00 0.00 N ATOM 0 H GLN A 157 -13.232 1.460 -8.893 1.00 0.00 H new ATOM 0 HA GLN A 157 -14.766 -0.851 -9.246 1.00 0.00 H new ATOM 0 HB2 GLN A 157 -12.010 0.092 -10.231 1.00 0.00 H new ATOM 0 HB3 GLN A 157 -12.823 -1.314 -10.890 1.00 0.00 H new ATOM 0 HG2 GLN A 157 -14.300 1.319 -10.897 1.00 0.00 H new ATOM 0 HG3 GLN A 157 -13.008 1.089 -12.058 1.00 0.00 H new ATOM 0 HE21 GLN A 157 -14.204 0.873 -13.974 1.00 0.00 H new ATOM 0 HE22 GLN A 157 -15.388 -0.413 -14.232 1.00 0.00 H new ATOM 1133 N MET A 158 -11.806 -1.503 -7.936 1.00 0.00 N ATOM 1134 CA MET A 158 -11.024 -2.497 -7.206 1.00 0.00 C ATOM 1135 C MET A 158 -11.552 -2.782 -5.804 1.00 0.00 C ATOM 1136 O MET A 158 -11.234 -3.836 -5.258 1.00 0.00 O ATOM 1137 CB MET A 158 -9.539 -2.110 -7.173 1.00 0.00 C ATOM 1138 CG MET A 158 -8.911 -2.088 -8.572 1.00 0.00 C ATOM 1139 SD MET A 158 -9.009 -3.646 -9.497 1.00 0.00 S ATOM 1140 CE MET A 158 -8.288 -4.778 -8.292 1.00 0.00 C ATOM 0 H MET A 158 -11.280 -0.654 -8.146 1.00 0.00 H new ATOM 0 HA MET A 158 -11.131 -3.431 -7.758 1.00 0.00 H new ATOM 0 HB2 MET A 158 -9.432 -1.127 -6.714 1.00 0.00 H new ATOM 0 HB3 MET A 158 -8.996 -2.816 -6.545 1.00 0.00 H new ATOM 0 HG2 MET A 158 -9.397 -1.307 -9.157 1.00 0.00 H new ATOM 0 HG3 MET A 158 -7.862 -1.808 -8.476 1.00 0.00 H new ATOM 0 HE1 MET A 158 -8.059 -5.727 -8.776 1.00 0.00 H new ATOM 0 HE2 MET A 158 -7.372 -4.346 -7.890 1.00 0.00 H new ATOM 0 HE3 MET A 158 -8.997 -4.946 -7.481 1.00 0.00 H new ATOM 1150 N GLY A 159 -12.344 -1.884 -5.221 1.00 0.00 N ATOM 1151 CA GLY A 159 -12.925 -2.068 -3.901 1.00 0.00 C ATOM 1152 C GLY A 159 -13.850 -3.281 -3.921 1.00 0.00 C ATOM 1153 O GLY A 159 -14.950 -3.212 -4.471 1.00 0.00 O ATOM 0 H GLY A 159 -12.601 -1.000 -5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 159 -12.137 -2.209 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 159 -13.481 -1.177 -3.609 1.00 0.00 H new ATOM 1157 N GLY A 160 -13.410 -4.399 -3.338 1.00 0.00 N ATOM 1158 CA GLY A 160 -14.172 -5.641 -3.280 1.00 0.00 C ATOM 1159 C GLY A 160 -13.661 -6.690 -4.267 1.00 0.00 C ATOM 1160 O GLY A 160 -14.117 -7.830 -4.215 1.00 0.00 O ATOM 0 H GLY A 160 -12.498 -4.464 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -14.125 -6.045 -2.269 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -15.221 -5.430 -3.490 1.00 0.00 H new ATOM 1164 N GLN A 161 -12.750 -6.342 -5.184 1.00 0.00 N ATOM 1165 CA GLN A 161 -12.211 -7.319 -6.126 1.00 0.00 C ATOM 1166 C GLN A 161 -11.323 -8.295 -5.348 1.00 0.00 C ATOM 1167 O GLN A 161 -10.957 -8.038 -4.202 1.00 0.00 O ATOM 1168 CB GLN A 161 -11.390 -6.623 -7.222 1.00 0.00 C ATOM 1169 CG GLN A 161 -12.252 -5.881 -8.252 1.00 0.00 C ATOM 1170 CD GLN A 161 -13.109 -6.830 -9.086 1.00 0.00 C ATOM 1171 OE1 GLN A 161 -12.604 -7.795 -9.669 1.00 0.00 O ATOM 1172 NE2 GLN A 161 -14.407 -6.600 -9.141 1.00 0.00 N ATOM 0 H GLN A 161 -12.376 -5.399 -5.290 1.00 0.00 H new ATOM 0 HA GLN A 161 -13.030 -7.852 -6.609 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -10.703 -5.916 -6.757 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.781 -7.366 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -12.898 -5.171 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -11.606 -5.303 -8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -14.804 -5.797 -8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -15.014 -7.225 -9.672 1.00 0.00 H new ATOM 1181 N TRP A 162 -10.941 -9.406 -5.972 1.00 0.00 N ATOM 1182 CA TRP A 162 -10.087 -10.417 -5.367 1.00 0.00 C ATOM 1183 C TRP A 162 -8.723 -10.341 -6.048 1.00 0.00 C ATOM 1184 O TRP A 162 -8.649 -10.126 -7.260 1.00 0.00 O ATOM 1185 CB TRP A 162 -10.715 -11.818 -5.469 1.00 0.00 C ATOM 1186 CG TRP A 162 -12.037 -12.072 -4.782 1.00 0.00 C ATOM 1187 CD1 TRP A 162 -13.141 -11.295 -4.857 1.00 0.00 C ATOM 1188 CD2 TRP A 162 -12.421 -13.173 -3.893 1.00 0.00 C ATOM 1189 NE1 TRP A 162 -14.187 -11.871 -4.173 1.00 0.00 N ATOM 1190 CE2 TRP A 162 -13.792 -13.013 -3.522 1.00 0.00 C ATOM 1191 CE3 TRP A 162 -11.738 -14.267 -3.320 1.00 0.00 C ATOM 1192 CZ2 TRP A 162 -14.448 -13.879 -2.637 1.00 0.00 C ATOM 1193 CZ3 TRP A 162 -12.378 -15.134 -2.413 1.00 0.00 C ATOM 1194 CH2 TRP A 162 -13.730 -14.945 -2.076 1.00 0.00 C ATOM 0 H TRP A 162 -11.222 -9.630 -6.927 1.00 0.00 H new ATOM 0 HA TRP A 162 -9.970 -10.226 -4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 162 -10.843 -12.047 -6.527 1.00 0.00 H new ATOM 0 HB3 TRP A 162 -9.994 -12.533 -5.073 1.00 0.00 H new ATOM 0 HD1 TRP A 162 -13.195 -10.352 -5.381 1.00 0.00 H new ATOM 0 HE1 TRP A 162 -15.136 -11.497 -4.152 1.00 0.00 H new ATOM 0 HE3 TRP A 162 -10.705 -14.443 -3.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 162 -15.489 -13.728 -2.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 162 -11.826 -15.951 -1.973 1.00 0.00 H new ATOM 0 HH2 TRP A 162 -14.215 -15.620 -1.386 1.00 0.00 H new ATOM 1205 N LEU A 163 -7.644 -10.519 -5.290 1.00 0.00 N ATOM 1206 CA LEU A 163 -6.273 -10.484 -5.788 1.00 0.00 C ATOM 1207 C LEU A 163 -5.516 -11.585 -5.046 1.00 0.00 C ATOM 1208 O LEU A 163 -5.606 -11.676 -3.817 1.00 0.00 O ATOM 1209 CB LEU A 163 -5.679 -9.090 -5.521 1.00 0.00 C ATOM 1210 CG LEU A 163 -4.236 -8.907 -6.025 1.00 0.00 C ATOM 1211 CD1 LEU A 163 -4.180 -8.894 -7.554 1.00 0.00 C ATOM 1212 CD2 LEU A 163 -3.668 -7.582 -5.509 1.00 0.00 C ATOM 0 H LEU A 163 -7.701 -10.696 -4.287 1.00 0.00 H new ATOM 0 HA LEU A 163 -6.210 -10.658 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 163 -6.314 -8.341 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -5.704 -8.897 -4.448 1.00 0.00 H new ATOM 0 HG LEU A 163 -3.647 -9.746 -5.653 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -3.148 -8.763 -7.879 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -4.565 -9.838 -7.940 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -4.787 -8.072 -7.933 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -2.647 -7.459 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -4.282 -6.757 -5.871 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -3.670 -7.585 -4.419 1.00 0.00 H new ATOM 1224 N GLY A 164 -4.803 -12.449 -5.771 1.00 0.00 N ATOM 1225 CA GLY A 164 -4.035 -13.564 -5.218 1.00 0.00 C ATOM 1226 C GLY A 164 -4.955 -14.730 -4.895 1.00 0.00 C ATOM 1227 O GLY A 164 -4.762 -15.851 -5.364 1.00 0.00 O ATOM 0 H GLY A 164 -4.743 -12.390 -6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 164 -3.274 -13.879 -5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 164 -3.513 -13.243 -4.316 1.00 0.00 H new ATOM 1231 N GLY A 165 -5.990 -14.448 -4.110 1.00 0.00 N ATOM 1232 CA GLY A 165 -6.983 -15.411 -3.689 1.00 0.00 C ATOM 1233 C GLY A 165 -7.924 -14.892 -2.607 1.00 0.00 C ATOM 1234 O GLY A 165 -8.700 -15.678 -2.070 1.00 0.00 O ATOM 0 H GLY A 165 -6.160 -13.512 -3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 165 -7.572 -15.714 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 165 -6.477 -16.303 -3.320 1.00 0.00 H new ATOM 1238 N ARG A 166 -7.861 -13.611 -2.228 1.00 0.00 N ATOM 1239 CA ARG A 166 -8.709 -13.003 -1.202 1.00 0.00 C ATOM 1240 C ARG A 166 -9.182 -11.650 -1.704 1.00 0.00 C ATOM 1241 O ARG A 166 -8.594 -11.123 -2.651 1.00 0.00 O ATOM 1242 CB ARG A 166 -7.904 -12.844 0.102 1.00 0.00 C ATOM 1243 CG ARG A 166 -7.746 -14.192 0.812 1.00 0.00 C ATOM 1244 CD ARG A 166 -6.757 -14.135 1.985 1.00 0.00 C ATOM 1245 NE ARG A 166 -6.823 -15.363 2.795 1.00 0.00 N ATOM 1246 CZ ARG A 166 -7.893 -15.779 3.482 1.00 0.00 C ATOM 1247 NH1 ARG A 166 -8.847 -14.921 3.821 1.00 0.00 N ATOM 1248 NH2 ARG A 166 -8.005 -17.057 3.816 1.00 0.00 N ATOM 0 H ARG A 166 -7.200 -12.952 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 166 -9.573 -13.636 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 166 -6.921 -12.428 -0.120 1.00 0.00 H new ATOM 0 HB3 ARG A 166 -8.408 -12.137 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 166 -8.719 -14.520 1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 166 -7.407 -14.938 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 166 -5.744 -14.001 1.605 1.00 0.00 H new ATOM 0 HD3 ARG A 166 -6.980 -13.271 2.611 1.00 0.00 H new ATOM 0 HE ARG A 166 -5.985 -15.943 2.836 1.00 0.00 H new ATOM 0 HH11 ARG A 166 -8.767 -13.939 3.558 1.00 0.00 H new ATOM 0 HH12 ARG A 166 -9.661 -15.244 4.345 1.00 0.00 H new ATOM 0 HH21 ARG A 166 -7.277 -17.720 3.549 1.00 0.00 H new ATOM 0 HH22 ARG A 166 -8.819 -17.378 4.340 1.00 0.00 H new ATOM 1262 N GLN A 167 -10.274 -11.135 -1.138 1.00 0.00 N ATOM 1263 CA GLN A 167 -10.787 -9.826 -1.536 1.00 0.00 C ATOM 1264 C GLN A 167 -9.797 -8.755 -1.087 1.00 0.00 C ATOM 1265 O GLN A 167 -8.947 -9.009 -0.236 1.00 0.00 O ATOM 1266 CB GLN A 167 -12.151 -9.510 -0.914 1.00 0.00 C ATOM 1267 CG GLN A 167 -13.347 -10.082 -1.654 1.00 0.00 C ATOM 1268 CD GLN A 167 -14.618 -9.485 -1.069 1.00 0.00 C ATOM 1269 OE1 GLN A 167 -14.871 -9.622 0.128 1.00 0.00 O ATOM 1270 NE2 GLN A 167 -15.392 -8.763 -1.852 1.00 0.00 N ATOM 0 H GLN A 167 -10.815 -11.600 -0.409 1.00 0.00 H new ATOM 0 HA GLN A 167 -10.909 -9.840 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 167 -12.162 -9.887 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 167 -12.264 -8.427 -0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 167 -13.277 -9.853 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 167 -13.363 -11.168 -1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 167 -15.165 -8.662 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 167 -16.219 -8.305 -1.469 1.00 0.00 H new ATOM 1279 N ILE A 168 -9.949 -7.539 -1.606 1.00 0.00 N ATOM 1280 CA ILE A 168 -9.102 -6.414 -1.261 1.00 0.00 C ATOM 1281 C ILE A 168 -9.976 -5.197 -0.954 1.00 0.00 C ATOM 1282 O ILE A 168 -11.044 -5.001 -1.544 1.00 0.00 O ATOM 1283 CB ILE A 168 -8.038 -6.151 -2.352 1.00 0.00 C ATOM 1284 CG1 ILE A 168 -8.637 -5.636 -3.678 1.00 0.00 C ATOM 1285 CG2 ILE A 168 -7.203 -7.416 -2.613 1.00 0.00 C ATOM 1286 CD1 ILE A 168 -7.601 -5.064 -4.637 1.00 0.00 C ATOM 0 H ILE A 168 -10.674 -7.311 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 168 -8.534 -6.644 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 168 -7.397 -5.359 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE A 168 -9.163 -6.454 -4.171 1.00 0.00 H new ATOM 0 HG13 ILE A 168 -9.378 -4.868 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 168 -6.461 -7.209 -3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 168 -6.699 -7.715 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 168 -7.857 -8.222 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 168 -8.096 -4.722 -5.546 1.00 0.00 H new ATOM 0 HD12 ILE A 168 -7.092 -4.224 -4.164 1.00 0.00 H new ATOM 0 HD13 ILE A 168 -6.873 -5.835 -4.888 1.00 0.00 H new ATOM 1298 N ARG A 169 -9.526 -4.380 -0.002 1.00 0.00 N ATOM 1299 CA ARG A 169 -10.196 -3.149 0.419 1.00 0.00 C ATOM 1300 C ARG A 169 -9.339 -2.008 -0.102 1.00 0.00 C ATOM 1301 O ARG A 169 -8.119 -2.058 0.039 1.00 0.00 O ATOM 1302 CB ARG A 169 -10.406 -3.071 1.948 1.00 0.00 C ATOM 1303 CG ARG A 169 -9.186 -3.461 2.787 1.00 0.00 C ATOM 1304 CD ARG A 169 -9.451 -3.320 4.291 1.00 0.00 C ATOM 1305 NE ARG A 169 -8.410 -4.006 5.084 1.00 0.00 N ATOM 1306 CZ ARG A 169 -8.564 -5.118 5.820 1.00 0.00 C ATOM 1307 NH1 ARG A 169 -9.743 -5.709 5.948 1.00 0.00 N ATOM 1308 NH2 ARG A 169 -7.519 -5.649 6.442 1.00 0.00 N ATOM 0 H ARG A 169 -8.663 -4.560 0.511 1.00 0.00 H new ATOM 0 HA ARG A 169 -11.205 -3.104 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.698 -2.054 2.209 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -11.238 -3.721 2.219 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -8.907 -4.491 2.563 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -8.339 -2.834 2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.480 -2.264 4.560 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -10.429 -3.737 4.531 1.00 0.00 H new ATOM 0 HE ARG A 169 -7.478 -3.592 5.071 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -10.562 -5.320 5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -9.832 -6.553 6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -6.601 -5.212 6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -7.634 -6.494 7.002 1.00 0.00 H new ATOM 1322 N THR A 170 -9.952 -0.978 -0.662 1.00 0.00 N ATOM 1323 CA THR A 170 -9.282 0.197 -1.216 1.00 0.00 C ATOM 1324 C THR A 170 -9.824 1.434 -0.505 1.00 0.00 C ATOM 1325 O THR A 170 -10.948 1.395 0.000 1.00 0.00 O ATOM 1326 CB THR A 170 -9.564 0.281 -2.727 1.00 0.00 C ATOM 1327 OG1 THR A 170 -10.946 0.053 -2.937 1.00 0.00 O ATOM 1328 CG2 THR A 170 -8.778 -0.778 -3.502 1.00 0.00 C ATOM 0 H THR A 170 -10.967 -0.931 -0.749 1.00 0.00 H new ATOM 0 HA THR A 170 -8.204 0.131 -1.068 1.00 0.00 H new ATOM 0 HB THR A 170 -9.261 1.266 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 170 -11.288 0.697 -3.592 1.00 0.00 H new ATOM 0 HG21 THR A 170 -9.001 -0.690 -4.565 1.00 0.00 H new ATOM 0 HG22 THR A 170 -7.710 -0.629 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 170 -9.062 -1.770 -3.152 1.00 0.00 H new ATOM 1336 N ASN A 171 -9.047 2.516 -0.422 1.00 0.00 N ATOM 1337 CA ASN A 171 -9.459 3.768 0.212 1.00 0.00 C ATOM 1338 C ASN A 171 -8.384 4.830 -0.030 1.00 0.00 C ATOM 1339 O ASN A 171 -7.273 4.518 -0.473 1.00 0.00 O ATOM 1340 CB ASN A 171 -9.672 3.566 1.737 1.00 0.00 C ATOM 1341 CG ASN A 171 -9.977 4.858 2.492 1.00 0.00 C ATOM 1342 OD1 ASN A 171 -10.906 5.588 2.164 1.00 0.00 O ATOM 1343 ND2 ASN A 171 -9.190 5.194 3.497 1.00 0.00 N ATOM 0 H ASN A 171 -8.100 2.546 -0.799 1.00 0.00 H new ATOM 0 HA ASN A 171 -10.404 4.094 -0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -10.492 2.864 1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -8.778 3.110 2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -9.354 6.064 4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -8.418 4.584 3.767 1.00 0.00 H new ATOM 1350 N TRP A 172 -8.721 6.091 0.222 1.00 0.00 N ATOM 1351 CA TRP A 172 -7.819 7.218 0.096 1.00 0.00 C ATOM 1352 C TRP A 172 -6.743 7.051 1.170 1.00 0.00 C ATOM 1353 O TRP A 172 -7.072 6.985 2.355 1.00 0.00 O ATOM 1354 CB TRP A 172 -8.619 8.511 0.304 1.00 0.00 C ATOM 1355 CG TRP A 172 -9.334 8.975 -0.923 1.00 0.00 C ATOM 1356 CD1 TRP A 172 -10.654 8.841 -1.189 1.00 0.00 C ATOM 1357 CD2 TRP A 172 -8.750 9.595 -2.103 1.00 0.00 C ATOM 1358 NE1 TRP A 172 -10.925 9.351 -2.445 1.00 0.00 N ATOM 1359 CE2 TRP A 172 -9.787 9.824 -3.047 1.00 0.00 C ATOM 1360 CE3 TRP A 172 -7.447 9.983 -2.478 1.00 0.00 C ATOM 1361 CZ2 TRP A 172 -9.545 10.406 -4.289 1.00 0.00 C ATOM 1362 CZ3 TRP A 172 -7.192 10.514 -3.756 1.00 0.00 C ATOM 1363 CH2 TRP A 172 -8.232 10.684 -4.682 1.00 0.00 C ATOM 0 H TRP A 172 -9.657 6.359 0.528 1.00 0.00 H new ATOM 0 HA TRP A 172 -7.351 7.265 -0.887 1.00 0.00 H new ATOM 0 HB2 TRP A 172 -9.346 8.354 1.101 1.00 0.00 H new ATOM 0 HB3 TRP A 172 -7.943 9.297 0.640 1.00 0.00 H new ATOM 0 HD1 TRP A 172 -11.383 8.403 -0.523 1.00 0.00 H new ATOM 0 HE1 TRP A 172 -11.852 9.373 -2.870 1.00 0.00 H new ATOM 0 HE3 TRP A 172 -6.634 9.871 -1.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 172 -10.369 10.642 -4.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 172 -6.185 10.794 -4.027 1.00 0.00 H new ATOM 0 HH2 TRP A 172 -8.021 11.025 -5.685 1.00 0.00 H new ATOM 1374 N ALA A 173 -5.465 6.967 0.781 1.00 0.00 N ATOM 1375 CA ALA A 173 -4.395 6.807 1.761 1.00 0.00 C ATOM 1376 C ALA A 173 -4.363 7.987 2.746 1.00 0.00 C ATOM 1377 O ALA A 173 -4.087 7.786 3.932 1.00 0.00 O ATOM 1378 CB ALA A 173 -3.050 6.612 1.060 1.00 0.00 C ATOM 0 H ALA A 173 -5.154 7.007 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.595 5.910 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.264 6.494 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -3.092 5.721 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.834 7.482 0.439 1.00 0.00 H new